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 1bu9_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAEPWGNELA SAAARGDLEQ LTSLLQNNVN VNAQNGFGRT ALQVMKLGNP DATA SEQUENCE EIARRLLLRG ANPDLKDRTG FAVIHDAARA GFLDTLQTLL EFQADVNIED DATA SEQUENCE NEGNLPLHLA AKEGHLRVVE FLVKHTASNV GHRNHKGDTA CDLARLYGRN DATA SEQUENCE EVVSLMQANG AGGATNLQ 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 M HA 0.000 4.479 4.480 -0.001 0.000 0.227 1 M C 0.000 176.303 176.300 0.006 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.001 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.008 0.000 1.302 2 A N 2.785 125.610 122.820 0.008 0.000 3.213 2 A HA 0.421 4.752 4.320 0.018 0.000 0.308 2 A C -1.299 176.298 177.584 0.022 0.000 1.177 2 A CA 0.047 52.093 52.037 0.016 0.000 1.010 2 A CB 0.215 19.223 19.000 0.013 0.000 1.092 2 A HN 0.313 8.466 8.150 0.006 0.000 0.583 3 E N 1.190 121.404 120.200 0.023 0.000 2.914 3 E HA 0.276 4.649 4.350 0.039 0.000 0.246 3 E C -2.488 174.142 176.600 0.050 0.000 1.146 3 E CA -3.022 53.397 56.400 0.032 0.000 0.803 3 E CB 1.851 31.560 29.700 0.015 0.000 1.409 3 E HN -0.329 7.981 8.360 0.017 0.061 0.392 4 P HA 0.047 4.546 4.420 0.132 0.000 0.276 4 P C -0.816 176.648 177.300 0.274 0.000 1.253 4 P CA -0.314 62.880 63.100 0.158 0.000 0.766 4 P CB 0.589 32.381 31.700 0.154 0.000 0.845 5 W N 3.499 124.785 121.300 -0.025 0.000 2.601 5 W HA -0.540 4.096 4.660 -0.039 0.000 0.199 5 W C -0.350 176.150 176.519 -0.032 0.000 0.658 5 W CA 2.069 59.394 57.345 -0.033 0.000 0.798 5 W CB -0.203 29.238 29.460 -0.031 0.000 1.018 5 W HN 0.076 8.337 8.180 0.135 0.000 0.391 6 G N -2.975 106.018 108.800 0.321 0.000 2.536 6 G HA2 -0.610 3.445 3.960 0.158 0.000 0.280 6 G HA3 -0.610 3.424 3.960 0.123 0.000 0.280 6 G C 0.221 175.146 174.900 0.041 0.000 1.152 6 G CA 0.802 45.992 45.100 0.149 0.000 0.970 6 G HN 0.044 8.707 8.290 0.622 0.000 0.549 7 N N 3.988 122.698 118.700 0.016 0.000 1.997 7 N HA -0.359 4.367 4.740 -0.024 0.000 0.198 7 N C 1.782 177.255 175.510 -0.063 0.000 1.063 7 N CA 2.927 55.965 53.050 -0.021 0.000 0.860 7 N CB -0.545 37.936 38.487 -0.010 0.000 1.063 7 N HN 0.217 8.617 8.380 0.033 0.000 0.424 8 E N 0.303 120.460 120.200 -0.071 0.000 2.095 8 E HA -0.398 3.892 4.350 -0.100 0.000 0.212 8 E C 2.420 178.905 176.600 -0.192 0.000 1.044 8 E CA 3.219 59.549 56.400 -0.117 0.000 0.857 8 E CB -0.749 28.882 29.700 -0.114 0.000 0.764 8 E HN 0.248 8.581 8.360 -0.045 0.000 0.462 9 L N -1.669 119.386 121.223 -0.279 0.000 1.925 9 L HA -0.401 3.634 4.340 -0.509 0.000 0.215 9 L C 2.174 178.891 176.870 -0.256 0.000 1.082 9 L CA 3.387 57.953 54.840 -0.457 0.000 0.764 9 L CB -1.055 40.446 42.059 -0.931 0.000 0.887 9 L HN -0.330 7.759 8.230 -0.235 0.000 0.432 10 A N -2.463 120.268 122.820 -0.147 0.000 2.054 10 A HA -0.430 3.828 4.320 -0.103 0.000 0.223 10 A C 2.525 180.036 177.584 -0.122 0.000 1.169 10 A CA 2.635 54.606 52.037 -0.110 0.000 0.655 10 A CB -1.103 17.840 19.000 -0.095 0.000 0.812 10 A HN -0.149 7.946 8.150 -0.092 0.000 0.462 11 S N 0.268 115.897 115.700 -0.118 0.000 2.374 11 S HA -0.286 4.133 4.470 -0.085 0.000 0.207 11 S C 1.700 176.235 174.600 -0.109 0.000 1.042 11 S CA 2.736 60.877 58.200 -0.099 0.000 1.034 11 S CB -0.080 63.067 63.200 -0.088 0.000 1.018 11 S HN 0.234 8.245 8.310 -0.123 0.225 0.419 12 A N -0.024 122.723 122.820 -0.123 0.000 1.883 12 A HA -0.226 4.240 4.320 -0.100 -0.206 0.217 12 A C 2.530 180.033 177.584 -0.135 0.000 1.186 12 A CA 2.512 54.476 52.037 -0.122 0.000 0.624 12 A CB -0.311 18.609 19.000 -0.134 0.000 0.822 12 A HN -0.417 7.655 8.150 -0.131 0.000 0.444 13 A N -0.949 121.770 122.820 -0.167 0.000 1.873 13 A HA -0.279 3.944 4.320 -0.161 0.000 0.218 13 A C 0.974 178.476 177.584 -0.137 0.000 1.193 13 A CA 2.905 54.844 52.037 -0.162 0.000 0.629 13 A CB -0.387 18.501 19.000 -0.187 0.000 0.826 13 A HN 0.581 8.524 8.150 -0.196 0.090 0.447 14 A N -5.974 116.770 122.820 -0.128 0.000 2.327 14 A HA 0.031 4.374 4.320 -0.130 -0.102 0.228 14 A C 0.084 177.606 177.584 -0.104 0.000 1.275 14 A CA 0.137 52.101 52.037 -0.121 0.000 0.875 14 A CB -0.456 18.471 19.000 -0.123 0.000 0.925 14 A HN -0.382 7.555 8.150 -0.131 0.135 0.493 15 R N -2.711 117.729 120.500 -0.100 0.000 2.476 15 R HA 0.077 4.376 4.340 -0.069 0.000 0.276 15 R C 0.543 176.795 176.300 -0.079 0.000 0.941 15 R CA -1.130 54.922 56.100 -0.079 0.000 1.088 15 R CB 0.848 31.104 30.300 -0.074 0.000 1.216 15 R HN -0.265 7.696 8.270 -0.110 0.243 0.533 16 G N -0.056 108.686 108.800 -0.097 0.000 2.217 16 G HA2 -0.321 3.719 3.960 -0.111 0.000 0.246 16 G HA3 -0.321 3.593 3.960 -0.077 0.000 0.246 16 G C -0.567 174.282 174.900 -0.085 0.000 0.990 16 G CA 0.092 45.136 45.100 -0.093 0.000 0.627 16 G HN -0.535 7.630 8.290 -0.111 0.059 0.522 17 D N 2.973 123.321 120.400 -0.086 0.000 2.419 17 D HA -0.127 4.471 4.640 -0.070 0.000 0.281 17 D C 0.185 176.429 176.300 -0.093 0.000 1.398 17 D CA 1.036 54.986 54.000 -0.084 0.000 1.047 17 D CB -0.571 40.175 40.800 -0.091 0.000 1.115 17 D HN -0.439 7.773 8.370 -0.088 0.104 0.540 18 L N 4.520 125.695 121.223 -0.079 0.000 2.022 18 L HA -0.265 4.021 4.340 -0.091 0.000 0.204 18 L C 1.150 177.973 176.870 -0.079 0.000 1.076 18 L CA 3.393 58.185 54.840 -0.080 0.000 0.749 18 L CB -0.278 41.744 42.059 -0.062 0.000 0.903 18 L HN -0.281 7.908 8.230 -0.068 0.000 0.439 19 E N -1.091 119.070 120.200 -0.065 0.000 2.058 19 E HA -0.440 3.876 4.350 -0.056 0.000 0.194 19 E C 2.308 178.862 176.600 -0.077 0.000 0.997 19 E CA 3.634 59.997 56.400 -0.061 0.000 0.801 19 E CB -0.683 28.988 29.700 -0.048 0.000 0.746 19 E HN 0.245 8.571 8.360 -0.058 0.000 0.450 20 Q N -1.455 118.296 119.800 -0.083 0.000 2.156 20 Q HA -0.298 3.991 4.340 -0.085 0.000 0.211 20 Q C 2.079 178.001 176.000 -0.130 0.000 0.995 20 Q CA 3.251 58.995 55.803 -0.098 0.000 0.877 20 Q CB -0.741 27.937 28.738 -0.101 0.000 0.920 20 Q HN 0.303 8.528 8.270 -0.076 0.000 0.416 21 L N -2.366 118.768 121.223 -0.148 0.000 1.994 21 L HA -0.403 3.779 4.340 -0.263 0.000 0.208 21 L C 2.006 178.781 176.870 -0.159 0.000 1.071 21 L CA 2.978 57.699 54.840 -0.198 0.000 0.745 21 L CB -0.536 41.410 42.059 -0.189 0.000 0.892 21 L HN -0.511 7.541 8.230 -0.131 0.099 0.431 22 T N 1.161 115.649 114.554 -0.110 0.000 2.580 22 T HA -0.436 3.872 4.350 -0.071 0.000 0.265 22 T C 2.161 176.817 174.700 -0.074 0.000 1.063 22 T CA 4.860 66.913 62.100 -0.077 0.000 1.170 22 T CB -0.984 67.851 68.868 -0.056 0.000 0.863 22 T HN -0.570 7.543 8.240 -0.102 0.066 0.418 23 S N 1.573 117.231 115.700 -0.070 0.000 2.381 23 S HA -0.339 4.266 4.470 -0.046 -0.164 0.230 23 S C 2.276 176.833 174.600 -0.071 0.000 1.052 23 S CA 3.604 61.768 58.200 -0.060 0.000 1.068 23 S CB -0.206 62.959 63.200 -0.060 0.000 0.918 23 S HN -0.298 7.971 8.310 -0.069 0.000 0.448 24 L N 0.251 121.413 121.223 -0.103 0.000 2.093 24 L HA -0.299 3.986 4.340 -0.092 0.000 0.208 24 L C 1.573 178.376 176.870 -0.112 0.000 1.085 24 L CA 3.290 58.058 54.840 -0.120 0.000 0.755 24 L CB -0.005 41.941 42.059 -0.187 0.000 0.904 24 L HN -0.352 7.810 8.230 -0.117 -0.002 0.435 25 L N -0.687 120.462 121.223 -0.122 0.000 1.976 25 L HA -0.473 3.824 4.340 -0.073 0.000 0.209 25 L C 1.572 178.427 176.870 -0.024 0.000 1.071 25 L CA 3.705 58.501 54.840 -0.075 0.000 0.746 25 L CB -0.091 41.924 42.059 -0.074 0.000 0.890 25 L HN 0.552 8.494 8.230 -0.137 0.206 0.432 26 Q N -3.882 115.902 119.800 -0.027 0.000 2.308 26 Q HA -0.373 3.968 4.340 0.001 0.000 0.209 26 Q C 1.678 177.673 176.000 -0.008 0.000 0.985 26 Q CA 2.303 58.100 55.803 -0.011 0.000 0.881 26 Q CB -0.360 28.368 28.738 -0.016 0.000 0.917 26 Q HN 0.288 8.427 8.270 -0.040 0.107 0.443 27 N N -0.079 118.610 118.700 -0.018 0.000 2.244 27 N HA -0.008 4.728 4.740 -0.007 0.000 0.189 27 N C -0.012 175.499 175.510 0.002 0.000 1.047 27 N CA 1.400 54.443 53.050 -0.012 0.000 0.870 27 N CB 1.670 40.142 38.487 -0.025 0.000 1.041 27 N HN -0.572 7.619 8.380 -0.032 0.170 0.448 28 N N -2.066 116.635 118.700 0.002 0.000 3.134 28 N HA 0.135 4.905 4.740 0.050 0.000 0.235 28 N C -2.292 173.251 175.510 0.054 0.000 1.092 28 N CA 0.033 53.104 53.050 0.035 0.000 1.038 28 N CB 1.940 40.445 38.487 0.030 0.000 1.684 28 N HN 0.444 8.706 8.380 -0.021 0.106 0.551 29 V N -2.702 117.301 119.914 0.148 0.000 2.823 29 V HA 0.265 4.528 4.120 0.240 0.000 0.296 29 V C -2.442 174.004 176.094 0.588 0.000 1.250 29 V CA -1.253 61.239 62.300 0.320 0.000 0.939 29 V CB 2.767 34.659 31.823 0.115 0.000 1.062 29 V HN -0.164 8.118 8.190 0.153 0.000 0.433 30 N N 5.703 124.757 118.700 0.589 0.000 2.416 30 N HA -0.175 4.605 4.740 0.066 0.000 0.291 30 N C 0.961 176.202 175.510 -0.450 0.000 1.257 30 N CA 0.497 53.635 53.050 0.147 0.000 1.043 30 N CB -0.176 38.359 38.487 0.080 0.000 1.441 30 N HN 0.412 9.115 8.380 0.591 0.032 0.490 31 V N 4.234 123.943 119.914 -0.342 0.000 2.495 31 V HA -0.495 3.074 4.120 -0.919 0.000 0.260 31 V C -0.555 174.907 176.094 -1.055 0.000 1.097 31 V CA 3.206 65.065 62.300 -0.736 0.000 1.105 31 V CB 0.253 31.973 31.823 -0.173 0.000 0.678 31 V HN 0.118 8.297 8.190 0.002 0.011 0.469 32 N N -4.356 113.895 118.700 -0.748 0.000 2.238 32 N HA 0.090 4.467 4.740 -0.606 0.000 0.235 32 N C -0.978 174.219 175.510 -0.523 0.000 1.209 32 N CA -0.805 51.902 53.050 -0.573 0.000 0.879 32 N CB 0.376 38.684 38.487 -0.297 0.000 1.136 32 N HN -0.349 7.660 8.380 -0.534 0.050 0.517 33 A N 1.070 123.500 122.820 -0.650 0.000 2.504 33 A HA -0.188 4.033 4.320 -0.165 0.000 0.257 33 A C -1.648 175.798 177.584 -0.230 0.000 1.136 33 A CA 1.432 53.292 52.037 -0.296 0.000 0.823 33 A CB 0.656 19.611 19.000 -0.076 0.000 1.085 33 A HN 0.140 7.573 8.150 -0.944 0.150 0.521 34 Q N -0.814 118.949 119.800 -0.061 0.000 2.842 34 Q HA 0.018 4.509 4.340 0.010 -0.146 0.215 34 Q C -1.002 175.033 176.000 0.058 0.000 0.764 34 Q CA -0.447 55.355 55.803 -0.002 0.000 0.994 34 Q CB 1.971 30.694 28.738 -0.025 0.000 1.554 34 Q HN 0.216 8.477 8.270 -0.014 0.000 0.475 35 N N 5.388 124.145 118.700 0.096 0.000 2.202 35 N HA -0.062 4.730 4.740 0.088 0.000 0.218 35 N C 1.830 177.418 175.510 0.131 0.000 1.328 35 N CA 1.177 54.294 53.050 0.110 0.000 0.884 35 N CB 1.102 39.662 38.487 0.121 0.000 1.106 35 N HN -0.247 8.194 8.380 0.101 0.000 0.439 36 G N -1.567 107.300 108.800 0.111 0.000 2.499 36 G HA2 -0.281 3.714 3.960 0.058 0.000 0.221 36 G HA3 -0.281 3.718 3.960 0.065 0.000 0.221 36 G C 0.363 175.332 174.900 0.115 0.000 1.109 36 G CA 1.995 47.146 45.100 0.084 0.000 0.749 36 G HN 0.592 8.941 8.290 0.097 0.000 0.568 37 F N 0.361 120.316 119.950 0.007 0.000 2.333 37 F HA -0.272 4.255 4.527 0.000 0.000 0.300 37 F C 0.104 175.904 175.800 0.001 0.000 1.083 37 F CA -0.846 57.157 58.000 0.005 0.000 1.395 37 F CB 0.198 39.206 39.000 0.014 0.000 1.056 37 F HN -0.720 7.707 8.300 0.309 0.059 0.529 38 G N -0.703 108.272 108.800 0.292 0.000 2.248 38 G HA2 -0.484 3.542 3.960 0.111 0.000 0.263 38 G HA3 -0.484 3.550 3.960 0.124 0.000 0.263 38 G C -2.405 172.653 174.900 0.262 0.000 1.082 38 G CA 0.264 45.477 45.100 0.188 0.000 0.863 38 G HN 0.597 8.842 8.290 0.246 0.193 0.495 39 R N -4.523 116.118 120.500 0.236 0.000 2.680 39 R HA 0.514 4.910 4.340 0.093 0.000 0.269 39 R C -2.523 173.796 176.300 0.032 0.000 1.026 39 R CA -1.814 54.346 56.100 0.101 0.000 0.889 39 R CB 3.292 33.573 30.300 -0.032 0.000 1.241 39 R HN -1.023 7.380 8.270 0.221 0.000 0.463 40 T N -1.017 113.554 114.554 0.028 0.000 2.916 40 T HA 0.214 4.709 4.350 0.242 0.000 0.292 40 T C 1.023 175.884 174.700 0.269 0.000 1.055 40 T CA -3.047 59.137 62.100 0.140 0.000 1.009 40 T CB 2.369 71.149 68.868 -0.147 0.000 1.118 40 T HN -0.118 8.132 8.240 0.016 0.000 0.497 41 A N 6.298 129.436 122.820 0.531 0.000 2.009 41 A HA -0.253 4.088 4.320 0.034 0.000 0.222 41 A C 1.410 179.098 177.584 0.173 0.000 1.175 41 A CA 3.016 55.173 52.037 0.200 0.000 0.651 41 A CB -0.752 18.213 19.000 -0.059 0.000 0.815 41 A HN 0.731 9.405 8.150 0.872 0.000 0.459 42 L N -3.056 118.344 121.223 0.296 0.000 2.191 42 L HA -0.245 4.139 4.340 0.073 0.000 0.212 42 L C 1.375 178.259 176.870 0.025 0.000 1.103 42 L CA 2.532 57.438 54.840 0.110 0.000 0.769 42 L CB -1.154 40.950 42.059 0.074 0.000 0.908 42 L HN -0.546 7.974 8.230 0.538 0.032 0.438 43 Q N -2.807 117.010 119.800 0.029 0.000 2.107 43 Q HA -0.168 4.176 4.340 0.006 0.000 0.195 43 Q C 2.296 178.283 176.000 -0.023 0.000 0.964 43 Q CA 2.521 58.327 55.803 0.005 0.000 0.833 43 Q CB 1.164 29.910 28.738 0.014 0.000 0.910 43 Q HN 0.292 8.426 8.270 0.064 0.175 0.465 44 V N -4.574 115.306 119.914 -0.056 0.000 2.358 44 V HA -0.200 3.864 4.120 -0.093 0.000 0.246 44 V C 0.027 176.059 176.094 -0.103 0.000 1.047 44 V CA 1.013 63.253 62.300 -0.100 0.000 1.035 44 V CB -0.067 31.665 31.823 -0.152 0.000 0.658 44 V HN -0.554 7.609 8.190 -0.044 0.000 0.452 45 M N -3.781 115.765 119.600 -0.091 0.000 2.157 45 M HA -0.543 3.900 4.480 -0.121 -0.036 0.572 45 M C -0.801 175.391 176.300 -0.180 0.000 1.259 45 M CA 0.700 55.927 55.300 -0.122 0.000 0.599 45 M CB -1.025 31.513 32.600 -0.103 0.000 1.884 45 M HN -0.250 7.875 8.290 -0.056 0.132 0.575 46 K N 4.769 125.057 120.400 -0.187 0.000 2.178 46 K HA -0.301 3.879 4.320 -0.234 0.000 0.256 46 K C 0.432 176.790 176.600 -0.404 0.000 1.258 46 K CA 0.899 57.038 56.287 -0.247 0.000 1.273 46 K CB -1.187 31.201 32.500 -0.186 0.000 0.834 46 K HN 0.877 8.884 8.250 -0.158 0.148 0.447 47 L N 3.664 124.517 121.223 -0.616 0.000 2.351 47 L HA -0.372 3.623 4.340 -0.575 0.000 0.220 47 L C 1.974 178.047 176.870 -1.330 0.000 1.127 47 L CA 2.261 56.491 54.840 -1.017 0.000 0.786 47 L CB -0.767 40.434 42.059 -1.429 0.000 0.914 47 L HN -0.245 7.682 8.230 -0.505 0.000 0.443 48 G N -0.107 108.085 108.800 -1.013 0.000 2.586 48 G HA2 -0.442 3.563 3.960 0.075 0.000 0.218 48 G HA3 -0.442 3.429 3.960 -0.150 0.000 0.218 48 G C -0.115 174.692 174.900 -0.154 0.000 1.216 48 G CA 1.533 46.440 45.100 -0.321 0.000 0.786 48 G HN 0.302 8.054 8.290 -0.806 0.055 0.583 49 N N -0.310 118.286 118.700 -0.173 0.000 2.479 49 N HA 0.186 4.895 4.740 -0.051 0.000 0.285 49 N C -1.483 173.944 175.510 -0.138 0.000 1.075 49 N CA -3.072 49.916 53.050 -0.104 0.000 0.967 49 N CB -0.316 38.118 38.487 -0.088 0.000 1.137 49 N HN -0.662 7.593 8.380 -0.209 0.000 0.472 50 P HA -0.038 4.310 4.420 -0.121 0.000 0.245 50 P C 0.476 177.731 177.300 -0.074 0.000 1.199 50 P CA 1.303 64.354 63.100 -0.082 0.000 0.807 50 P CB 0.738 32.416 31.700 -0.036 0.000 1.002 51 E N -0.217 119.949 120.200 -0.058 0.000 2.268 51 E HA -0.283 4.045 4.350 -0.037 0.000 0.195 51 E C 0.822 177.370 176.600 -0.086 0.000 0.995 51 E CA 2.533 58.903 56.400 -0.051 0.000 0.836 51 E CB -1.645 28.039 29.700 -0.028 0.000 0.763 51 E HN 0.230 8.525 8.360 -0.051 0.034 0.491 52 I N 1.069 121.578 120.570 -0.102 0.000 2.074 52 I HA -0.545 3.558 4.170 -0.111 0.000 0.238 52 I C 1.903 177.948 176.117 -0.120 0.000 1.037 52 I CA 4.078 65.308 61.300 -0.117 0.000 1.301 52 I CB -0.852 37.065 38.000 -0.140 0.000 1.016 52 I HN 0.149 8.155 8.210 -0.102 0.142 0.400 53 A N -1.984 120.758 122.820 -0.130 0.000 1.883 53 A HA -0.449 3.817 4.320 -0.090 0.000 0.217 53 A C 1.697 179.143 177.584 -0.231 0.000 1.186 53 A CA 2.970 54.922 52.037 -0.143 0.000 0.624 53 A CB -0.808 18.104 19.000 -0.148 0.000 0.822 53 A HN -0.167 7.904 8.150 -0.133 0.000 0.444 54 R N -0.824 119.519 120.500 -0.261 0.000 2.136 54 R HA -0.491 3.381 4.340 -0.781 0.000 0.242 54 R C 2.107 178.276 176.300 -0.220 0.000 1.131 54 R CA 3.695 59.584 56.100 -0.350 0.000 0.937 54 R CB -0.224 30.016 30.300 -0.100 0.000 0.863 54 R HN -0.637 7.470 8.270 -0.189 0.050 0.435 55 R N -3.300 117.132 120.500 -0.112 0.000 2.153 55 R HA -0.294 4.026 4.340 -0.034 0.000 0.252 55 R C 2.446 178.716 176.300 -0.051 0.000 1.158 55 R CA 2.631 58.691 56.100 -0.067 0.000 0.975 55 R CB -0.575 29.676 30.300 -0.082 0.000 0.871 55 R HN 0.476 8.568 8.270 -0.104 0.116 0.450 56 L N -2.913 118.277 121.223 -0.056 0.000 2.202 56 L HA -0.013 4.434 4.340 0.178 0.000 0.205 56 L C 1.954 178.820 176.870 -0.006 0.000 1.083 56 L CA 1.697 56.593 54.840 0.093 0.000 0.790 56 L CB 0.042 42.239 42.059 0.230 0.000 0.942 56 L HN -0.110 7.920 8.230 -0.099 0.141 0.452 57 L N -0.717 120.348 121.223 -0.263 0.000 2.083 57 L HA -0.431 3.856 4.340 -0.296 -0.124 0.209 57 L C 2.706 179.464 176.870 -0.187 0.000 1.083 57 L CA 2.823 57.342 54.840 -0.534 0.000 0.752 57 L CB -0.219 40.893 42.059 -1.579 0.000 0.899 57 L HN 0.664 8.488 8.230 -0.316 0.217 0.433 58 L N -2.552 118.652 121.223 -0.033 0.000 2.191 58 L HA -0.271 4.429 4.340 0.601 0.000 0.212 58 L C 1.623 178.600 176.870 0.180 0.000 1.103 58 L CA 2.632 57.642 54.840 0.283 0.000 0.769 58 L CB -1.394 40.776 42.059 0.186 0.000 0.908 58 L HN 0.409 8.427 8.230 -0.161 0.116 0.438 59 R N -2.734 117.836 120.500 0.116 0.000 2.223 59 R HA 0.026 4.427 4.340 0.102 0.000 0.198 59 R C -0.198 176.155 176.300 0.089 0.000 0.984 59 R CA -0.130 56.036 56.100 0.110 0.000 1.018 59 R CB 1.714 32.098 30.300 0.140 0.000 0.945 59 R HN -0.584 7.601 8.270 0.084 0.136 0.479 60 G N -2.224 106.620 108.800 0.074 0.000 2.244 60 G HA2 -0.169 3.835 3.960 0.073 0.000 0.236 60 G HA3 -0.169 3.798 3.960 0.011 0.000 0.236 60 G C -2.067 172.812 174.900 -0.036 0.000 1.632 60 G CA -0.278 44.842 45.100 0.032 0.000 1.231 60 G HN -0.414 7.754 8.290 0.068 0.162 0.635 61 A N 3.547 126.340 122.820 -0.045 0.000 2.786 61 A HA 0.326 4.577 4.320 -0.115 0.000 0.346 61 A C -1.345 176.201 177.584 -0.063 0.000 1.265 61 A CA -2.118 49.869 52.037 -0.083 0.000 0.858 61 A CB 0.982 19.924 19.000 -0.097 0.000 1.118 61 A HN -0.631 7.504 8.150 -0.026 0.000 0.482 62 N N 4.159 122.826 118.700 -0.057 0.000 2.332 62 N HA -0.164 4.581 4.740 0.008 0.000 0.274 62 N C -0.031 175.465 175.510 -0.024 0.000 1.351 62 N CA -0.716 52.319 53.050 -0.025 0.000 0.875 62 N CB -0.035 38.425 38.487 -0.044 0.000 1.140 62 N HN 0.041 8.370 8.380 -0.085 0.000 0.489 63 P HA -0.194 4.218 4.420 -0.012 0.000 0.225 63 P C -0.563 176.735 177.300 -0.003 0.000 1.148 63 P CA 1.944 65.047 63.100 0.006 0.000 0.779 63 P CB 0.317 32.045 31.700 0.046 0.000 0.780 64 D N -2.997 117.399 120.400 -0.006 0.000 2.434 64 D HA -0.006 4.612 4.640 -0.037 0.000 0.232 64 D C -0.782 175.498 176.300 -0.033 0.000 1.166 64 D CA -1.632 52.355 54.000 -0.023 0.000 0.830 64 D CB -1.177 39.617 40.800 -0.009 0.000 0.960 64 D HN 0.025 8.348 8.370 0.000 0.047 0.497 65 L N 0.836 122.040 121.223 -0.032 0.000 2.546 65 L HA -0.256 4.061 4.340 -0.037 0.000 0.272 65 L C -0.247 176.615 176.870 -0.014 0.000 1.327 65 L CA 0.160 54.981 54.840 -0.032 0.000 1.199 65 L CB -1.384 40.651 42.059 -0.041 0.000 1.401 65 L HN -0.645 7.456 8.230 -0.029 0.112 0.440 66 K N 2.558 122.947 120.400 -0.018 0.000 2.274 66 K HA -0.252 4.117 4.320 -0.035 -0.071 0.255 66 K C -1.053 175.576 176.600 0.047 0.000 1.005 66 K CA 0.968 57.252 56.287 -0.005 0.000 0.864 66 K CB 1.073 33.567 32.500 -0.009 0.000 1.013 66 K HN 0.141 8.350 8.250 -0.025 0.025 0.519 67 D N -2.532 117.917 120.400 0.082 0.000 2.887 67 D HA 0.279 5.231 4.640 0.140 -0.228 0.221 67 D C 1.614 177.937 176.300 0.039 0.000 1.276 67 D CA -1.436 52.635 54.000 0.119 0.000 1.078 67 D CB 2.063 42.989 40.800 0.211 0.000 1.217 67 D HN 0.165 8.669 8.370 0.083 -0.085 0.631 68 R N -1.521 118.966 120.500 -0.022 0.000 2.100 68 R HA -0.024 4.266 4.340 -0.083 0.000 0.220 68 R C 0.218 176.444 176.300 -0.124 0.000 1.091 68 R CA 3.232 59.266 56.100 -0.109 0.000 0.986 68 R CB -0.288 29.878 30.300 -0.223 0.000 0.888 68 R HN 0.383 8.658 8.270 0.009 0.000 0.444 69 T N -5.163 109.268 114.554 -0.204 0.000 3.366 69 T HA 0.050 4.258 4.350 -0.237 0.000 0.249 69 T C 0.125 174.784 174.700 -0.069 0.000 1.028 69 T CA -1.540 60.356 62.100 -0.339 0.000 0.938 69 T CB -1.961 66.332 68.868 -0.959 0.000 1.046 69 T HN -0.560 7.846 8.240 -0.197 -0.285 0.587 70 G N 0.629 109.458 108.800 0.047 0.000 2.269 70 G HA2 -0.451 3.515 3.960 0.063 0.000 0.277 70 G HA3 -0.451 3.781 3.960 0.138 -0.189 0.277 70 G C -0.505 174.550 174.900 0.257 0.000 1.008 70 G CA 1.137 46.316 45.100 0.132 0.000 0.774 70 G HN -0.567 7.555 8.290 -0.005 0.164 0.511 71 F N 1.859 121.764 119.950 -0.074 0.000 2.444 71 F HA 0.063 4.021 4.527 -0.948 0.000 0.360 71 F C -0.217 175.317 175.800 -0.444 0.000 1.106 71 F CA -2.325 55.493 58.000 -0.302 0.000 1.170 71 F CB -0.396 38.732 39.000 0.214 0.000 1.113 71 F HN 0.178 9.085 8.300 0.297 -0.429 0.521 72 A N 6.575 128.956 122.820 -0.733 0.000 2.340 72 A HA 0.089 4.325 4.320 -0.140 0.000 0.268 72 A C -0.007 177.513 177.584 -0.107 0.000 1.100 72 A CA -1.113 50.757 52.037 -0.278 0.000 0.803 72 A CB 1.474 20.316 19.000 -0.263 0.000 1.043 72 A HN -0.101 6.993 8.150 -1.760 0.000 0.488 73 V N 4.570 124.472 119.914 -0.021 0.000 2.527 73 V HA -0.395 3.755 4.120 0.050 0.000 0.255 73 V C 1.199 177.314 176.094 0.035 0.000 1.081 73 V CA 2.302 64.614 62.300 0.020 0.000 1.092 73 V CB -0.036 31.787 31.823 -0.001 0.000 0.673 73 V HN 0.531 8.706 8.190 -0.025 0.000 0.470 74 I N -0.508 120.077 120.570 0.025 0.000 2.208 74 I HA -0.683 3.515 4.170 0.047 0.000 0.245 74 I C 1.193 177.379 176.117 0.116 0.000 1.097 74 I CA 4.597 65.934 61.300 0.062 0.000 1.363 74 I CB -0.927 37.115 38.000 0.070 0.000 1.051 74 I HN -0.673 7.496 8.210 -0.007 0.037 0.413 75 H N 0.506 119.536 119.070 -0.067 0.000 2.252 75 H HA -0.561 3.875 4.556 -0.200 0.000 0.292 75 H C 2.177 177.468 175.328 -0.062 0.000 1.082 75 H CA 3.447 59.398 56.048 -0.162 0.000 1.229 75 H CB -0.049 29.522 29.762 -0.318 0.000 1.353 75 H HN 0.405 8.620 8.280 0.095 0.122 0.488 76 D N -1.281 119.225 120.400 0.177 0.000 2.126 76 D HA -0.401 4.347 4.640 0.181 0.000 0.190 76 D C 2.274 178.668 176.300 0.156 0.000 1.001 76 D CA 3.482 57.575 54.000 0.156 0.000 0.841 76 D CB -0.162 40.711 40.800 0.123 0.000 0.949 76 D HN -0.667 7.830 8.370 0.211 0.000 0.446 77 A N -0.685 122.195 122.820 0.099 0.000 1.917 77 A HA -0.403 4.004 4.320 0.146 0.000 0.219 77 A C 1.267 178.885 177.584 0.057 0.000 1.182 77 A CA 3.206 55.298 52.037 0.093 0.000 0.633 77 A CB -0.365 18.640 19.000 0.007 0.000 0.819 77 A HN 0.391 8.414 8.150 0.076 0.173 0.448 78 A N -2.507 120.314 122.820 0.002 0.000 1.881 78 A HA -0.012 4.194 4.320 -0.189 0.000 0.210 78 A C 2.266 179.837 177.584 -0.021 0.000 1.239 78 A CA 1.434 53.426 52.037 -0.075 0.000 0.629 78 A CB -0.622 18.364 19.000 -0.022 0.000 0.906 78 A HN 0.104 8.191 8.150 0.031 0.081 0.460 79 R N -0.710 119.798 120.500 0.014 0.000 2.190 79 R HA -0.361 3.983 4.340 0.007 0.000 0.255 79 R C 1.762 178.153 176.300 0.153 0.000 1.143 79 R CA 2.858 58.980 56.100 0.036 0.000 0.965 79 R CB -0.184 30.094 30.300 -0.036 0.000 0.889 79 R HN 0.467 8.630 8.270 -0.017 0.097 0.448 80 A N -4.289 118.617 122.820 0.144 0.000 1.975 80 A HA 0.022 4.448 4.320 0.176 0.000 0.215 80 A C -0.684 176.894 177.584 -0.012 0.000 1.170 80 A CA 0.854 52.983 52.037 0.154 0.000 0.656 80 A CB 0.968 20.153 19.000 0.309 0.000 0.821 80 A HN -0.596 7.637 8.150 0.146 0.005 0.449 81 G N -2.721 105.764 108.800 -0.525 0.000 2.798 81 G HA2 -0.099 2.796 3.960 -1.822 0.000 0.167 81 G HA3 -0.099 3.062 3.960 -1.330 0.000 0.167 81 G C -0.649 173.627 174.900 -1.039 0.000 1.082 81 G CA -0.498 43.808 45.100 -1.324 0.000 0.905 81 G HN -0.946 7.097 8.290 -0.266 0.088 0.514 82 F N 0.083 119.850 119.950 -0.305 0.000 2.597 82 F HA 0.279 4.702 4.527 -0.173 0.000 0.336 82 F C -0.039 175.612 175.800 -0.248 0.000 1.432 82 F CA -1.931 55.945 58.000 -0.206 0.000 1.120 82 F CB 0.263 39.180 39.000 -0.138 0.000 1.253 82 F HN 0.547 8.589 8.300 -0.258 0.103 0.546 83 L N 0.995 122.091 121.223 -0.210 0.000 1.978 83 L HA -0.533 3.506 4.340 -0.501 0.000 0.218 83 L C 1.375 178.069 176.870 -0.294 0.000 1.075 83 L CA 4.175 58.801 54.840 -0.356 0.000 0.767 83 L CB -0.214 41.658 42.059 -0.311 0.000 0.890 83 L HN -0.086 7.972 8.230 -0.287 0.000 0.434 84 D N -4.278 116.038 120.400 -0.139 0.000 2.239 84 D HA -0.346 4.242 4.640 -0.086 0.000 0.202 84 D C 1.802 178.063 176.300 -0.064 0.000 0.993 84 D CA 3.629 57.583 54.000 -0.077 0.000 0.874 84 D CB -0.990 39.802 40.800 -0.014 0.000 0.922 84 D HN 0.295 8.605 8.370 -0.101 0.000 0.464 85 T N 2.108 116.634 114.554 -0.046 0.000 2.976 85 T HA -0.045 4.274 4.350 -0.051 0.000 0.257 85 T C 1.700 176.351 174.700 -0.081 0.000 1.051 85 T CA 2.515 64.588 62.100 -0.046 0.000 1.141 85 T CB 0.256 69.119 68.868 -0.009 0.000 0.881 85 T HN 0.050 8.100 8.240 -0.014 0.183 0.461 86 L N 2.094 123.217 121.223 -0.167 0.000 2.265 86 L HA -0.399 3.875 4.340 -0.111 0.000 0.215 86 L C 1.411 178.136 176.870 -0.241 0.000 1.117 86 L CA 2.916 57.607 54.840 -0.248 0.000 0.782 86 L CB -0.480 41.280 42.059 -0.498 0.000 0.914 86 L HN 0.609 8.483 8.230 -0.181 0.247 0.441 87 Q N -1.307 118.344 119.800 -0.248 0.000 2.096 87 Q HA -0.300 4.132 4.340 0.154 0.000 0.197 87 Q C 2.362 178.433 176.000 0.118 0.000 0.964 87 Q CA 3.795 59.592 55.803 -0.009 0.000 0.838 87 Q CB -0.023 28.692 28.738 -0.037 0.000 0.906 87 Q HN 0.882 8.815 8.270 -0.267 0.177 0.444 88 T N 2.977 117.577 114.554 0.077 0.000 2.778 88 T HA -0.363 4.152 4.350 0.274 0.000 0.269 88 T C 2.075 176.900 174.700 0.208 0.000 1.050 88 T CA 3.901 66.088 62.100 0.146 0.000 1.137 88 T CB -0.815 68.047 68.868 -0.010 0.000 0.860 88 T HN -0.451 7.704 8.240 0.006 0.089 0.468 89 L N 0.137 121.435 121.223 0.124 0.000 2.044 89 L HA -0.138 4.274 4.340 0.119 0.000 0.205 89 L C 1.786 178.787 176.870 0.218 0.000 1.075 89 L CA 2.367 57.292 54.840 0.142 0.000 0.747 89 L CB -1.129 40.981 42.059 0.085 0.000 0.903 89 L HN -0.675 7.478 8.230 0.067 0.117 0.435 90 L N 0.648 122.018 121.223 0.244 0.000 1.994 90 L HA -0.321 4.141 4.340 0.204 0.000 0.208 90 L C 2.249 179.225 176.870 0.178 0.000 1.071 90 L CA 3.006 57.994 54.840 0.246 0.000 0.745 90 L CB -0.977 41.332 42.059 0.416 0.000 0.892 90 L HN -0.228 8.080 8.230 0.239 0.066 0.431 91 E N 0.310 120.625 120.200 0.192 0.000 2.108 91 E HA -0.358 3.986 4.350 -0.010 0.000 0.203 91 E C 1.676 178.227 176.600 -0.083 0.000 1.022 91 E CA 3.089 59.527 56.400 0.063 0.000 0.823 91 E CB -0.176 29.629 29.700 0.174 0.000 0.744 91 E HN 0.578 8.950 8.360 0.231 0.127 0.456 92 F N -3.463 116.507 119.950 0.034 0.000 2.696 92 F HA 0.109 4.649 4.527 0.021 0.000 0.296 92 F C -1.373 174.443 175.800 0.027 0.000 1.181 92 F CA 0.256 58.272 58.000 0.026 0.000 1.411 92 F CB -0.293 38.721 39.000 0.024 0.000 1.014 92 F HN -0.796 7.863 8.300 0.595 -0.001 0.512 93 Q N -4.679 115.192 119.800 0.118 0.000 2.459 93 Q HA -0.464 3.935 4.340 0.065 -0.020 0.322 93 Q C -1.499 174.565 176.000 0.107 0.000 1.427 93 Q CA 0.645 56.499 55.803 0.085 0.000 0.861 93 Q CB -3.286 25.483 28.738 0.052 0.000 1.137 93 Q HN 0.239 8.343 8.270 0.082 0.216 0.394 94 A N -0.934 121.964 122.820 0.129 0.000 2.366 94 A HA 0.043 4.418 4.320 0.091 0.000 0.272 94 A C -0.734 176.900 177.584 0.084 0.000 1.135 94 A CA -0.777 51.323 52.037 0.106 0.000 0.804 94 A CB 1.041 20.112 19.000 0.119 0.000 1.064 94 A HN 0.002 8.156 8.150 0.154 0.087 0.499 95 D N 4.321 124.758 120.400 0.062 0.000 2.512 95 D HA -0.265 4.404 4.640 0.049 0.000 0.283 95 D C 0.965 177.294 176.300 0.047 0.000 1.456 95 D CA 1.774 55.805 54.000 0.051 0.000 1.224 95 D CB -0.285 40.542 40.800 0.045 0.000 1.140 95 D HN 0.420 8.823 8.370 0.055 0.000 0.553 96 V N 4.745 124.684 119.914 0.042 0.000 2.660 96 V HA -0.408 3.763 4.120 0.085 0.000 0.257 96 V C -1.109 174.941 176.094 -0.074 0.000 1.088 96 V CA 2.098 64.412 62.300 0.025 0.000 1.106 96 V CB 0.420 32.243 31.823 0.001 0.000 0.686 96 V HN -0.101 8.115 8.190 0.043 0.000 0.481 97 N N -6.095 112.556 118.700 -0.080 0.000 2.398 97 N HA -0.149 4.147 4.740 -0.739 0.000 0.188 97 N C -0.335 175.262 175.510 0.145 0.000 1.122 97 N CA -0.036 52.940 53.050 -0.124 0.000 0.866 97 N CB -0.242 38.334 38.487 0.148 0.000 0.970 97 N HN -0.641 7.688 8.380 -0.012 0.044 0.462 98 I N 1.111 121.723 120.570 0.070 0.000 3.003 98 I HA -0.268 3.936 4.170 0.057 0.000 0.294 98 I C -1.638 174.527 176.117 0.079 0.000 1.237 98 I CA 0.662 61.996 61.300 0.056 0.000 1.417 98 I CB -0.060 37.947 38.000 0.011 0.000 1.340 98 I HN 0.083 8.085 8.210 0.041 0.233 0.594 99 E N 3.819 124.050 120.200 0.050 0.000 2.646 99 E HA 0.314 4.805 4.350 0.167 -0.041 0.181 99 E C -1.518 175.181 176.600 0.166 0.000 0.715 99 E CA -1.212 55.259 56.400 0.117 0.000 1.031 99 E CB 3.019 32.735 29.700 0.028 0.000 1.878 99 E HN -0.030 8.337 8.360 0.010 0.000 0.370 100 D N -2.810 117.731 120.400 0.235 0.000 2.607 100 D HA 0.386 5.552 4.640 0.622 -0.152 0.253 100 D C 0.488 176.924 176.300 0.225 0.000 1.171 100 D CA -2.304 51.974 54.000 0.464 0.000 1.084 100 D CB 1.251 42.406 40.800 0.592 0.000 1.203 100 D HN 0.132 8.573 8.370 0.119 0.000 0.629 101 N N -1.190 117.654 118.700 0.239 0.000 2.484 101 N HA 0.022 4.803 4.740 0.068 0.000 0.245 101 N C -1.032 174.526 175.510 0.079 0.000 1.184 101 N CA -0.118 52.994 53.050 0.103 0.000 0.884 101 N CB -0.226 38.303 38.487 0.070 0.000 1.182 101 N HN -0.059 8.536 8.380 0.359 0.000 0.493 102 E N -3.790 116.395 120.200 -0.024 0.000 2.597 102 E HA 0.062 4.355 4.350 -0.094 0.000 0.256 102 E C -1.112 174.943 176.600 -0.908 0.000 1.120 102 E CA 0.500 56.769 56.400 -0.219 0.000 1.824 102 E CB 2.767 32.599 29.700 0.220 0.000 3.035 102 E HN -0.595 7.774 8.360 -0.021 -0.022 1.045 103 G N -3.170 105.439 108.800 -0.318 0.000 4.073 103 G HA2 -0.009 3.782 3.960 -0.283 0.000 0.183 103 G HA3 -0.009 3.827 3.960 -0.231 -0.014 0.183 103 G C -0.458 174.357 174.900 -0.141 0.000 0.873 103 G CA 0.300 45.247 45.100 -0.255 0.000 0.937 103 G HN 0.260 9.071 8.290 -0.099 -0.580 0.344 104 N N 3.404 122.044 118.700 -0.099 0.000 2.283 104 N HA -0.251 4.165 4.740 -0.540 0.000 0.236 104 N C -0.942 174.365 175.510 -0.338 0.000 1.252 104 N CA 1.735 54.614 53.050 -0.285 0.000 0.856 104 N CB 0.126 38.583 38.487 -0.051 0.000 1.099 104 N HN -0.259 8.132 8.380 -0.011 -0.018 0.444 105 L N -7.305 113.525 121.223 -0.656 0.000 2.250 105 L HA 0.845 5.269 4.340 0.140 0.000 0.252 105 L C -0.982 175.777 176.870 -0.185 0.000 1.054 105 L CA -3.747 50.981 54.840 -0.187 0.000 0.856 105 L CB 0.767 42.776 42.059 -0.084 0.000 1.443 105 L HN -0.692 6.662 8.230 -1.460 0.000 0.427 106 P HA -0.138 4.140 4.420 -0.237 0.000 0.226 106 P C 0.642 177.974 177.300 0.053 0.000 1.146 106 P CA 2.576 65.665 63.100 -0.019 0.000 0.773 106 P CB -0.116 31.666 31.700 0.137 0.000 0.772 107 L N -3.849 117.470 121.223 0.159 0.000 2.209 107 L HA -0.220 4.212 4.340 0.152 0.000 0.207 107 L C 1.450 178.479 176.870 0.265 0.000 1.094 107 L CA 2.050 57.019 54.840 0.216 0.000 0.790 107 L CB -0.076 42.115 42.059 0.220 0.000 0.932 107 L HN -0.132 8.128 8.230 0.161 0.067 0.447 108 H N -1.473 117.605 119.070 0.012 0.000 2.428 108 H HA -0.130 4.473 4.556 0.078 0.000 0.296 108 H C 2.466 177.792 175.328 -0.003 0.000 1.062 108 H CA 2.338 58.411 56.048 0.041 0.000 1.350 108 H CB -0.461 29.335 29.762 0.057 0.000 1.403 108 H HN -0.272 8.304 8.280 0.666 0.104 0.533 109 L N -0.842 120.397 121.223 0.026 0.000 1.943 109 L HA -0.428 3.837 4.340 -0.126 0.000 0.215 109 L C 1.857 178.718 176.870 -0.015 0.000 1.074 109 L CA 3.555 58.338 54.840 -0.096 0.000 0.759 109 L CB -1.267 40.644 42.059 -0.247 0.000 0.888 109 L HN -0.028 8.192 8.230 -0.018 0.000 0.433 110 A N -2.489 120.363 122.820 0.052 0.000 2.042 110 A HA -0.392 4.084 4.320 0.261 0.000 0.222 110 A C 1.789 179.420 177.584 0.079 0.000 1.167 110 A CA 2.737 54.862 52.037 0.148 0.000 0.649 110 A CB -1.003 18.090 19.000 0.155 0.000 0.809 110 A HN -0.420 7.750 8.150 0.033 0.000 0.457 111 A N -2.112 120.751 122.820 0.072 0.000 1.929 111 A HA -0.239 4.122 4.320 0.068 0.000 0.216 111 A C 2.253 179.886 177.584 0.081 0.000 1.176 111 A CA 2.697 54.783 52.037 0.082 0.000 0.628 111 A CB -0.694 18.363 19.000 0.096 0.000 0.816 111 A HN -0.400 7.662 8.150 0.085 0.138 0.444 112 K N -1.580 118.814 120.400 -0.010 0.000 2.062 112 K HA -0.221 3.912 4.320 -0.311 0.000 0.205 112 K C 1.625 178.034 176.600 -0.319 0.000 1.051 112 K CA 2.580 58.636 56.287 -0.385 0.000 0.941 112 K CB 0.127 32.192 32.500 -0.726 0.000 0.719 112 K HN 0.122 8.154 8.250 0.001 0.219 0.440 113 E N -4.926 115.134 120.200 -0.233 0.000 2.152 113 E HA -0.069 4.124 4.350 -0.262 0.000 0.192 113 E C 0.980 177.415 176.600 -0.276 0.000 0.983 113 E CA 0.670 56.902 56.400 -0.279 0.000 0.818 113 E CB 0.984 30.481 29.700 -0.339 0.000 0.758 113 E HN 0.100 8.250 8.360 -0.171 0.107 0.467 114 G N -2.684 106.009 108.800 -0.179 0.000 2.138 114 G HA2 -0.326 3.615 3.960 -0.032 0.000 0.193 114 G HA3 -0.326 3.564 3.960 -0.117 0.000 0.193 114 G C -0.216 174.632 174.900 -0.087 0.000 0.998 114 G CA -0.100 44.937 45.100 -0.105 0.000 0.668 114 G HN 0.255 8.258 8.290 -0.118 0.216 0.516 115 H N 2.796 121.845 119.070 -0.034 0.000 3.981 115 H HA 0.028 4.553 4.556 -0.052 0.000 0.208 115 H C -0.251 175.072 175.328 -0.009 0.000 1.611 115 H CA -0.897 55.128 56.048 -0.039 0.000 1.470 115 H CB -2.008 27.721 29.762 -0.055 0.000 1.777 115 H HN 0.417 8.573 8.280 -0.047 0.096 0.727 116 L N 4.159 125.446 121.223 0.106 0.000 1.924 116 L HA -0.432 3.948 4.340 0.067 0.000 0.222 116 L C 0.676 177.597 176.870 0.084 0.000 1.081 116 L CA 4.761 59.646 54.840 0.075 0.000 0.780 116 L CB -0.059 42.028 42.059 0.047 0.000 0.891 116 L HN 0.708 8.931 8.230 0.073 0.051 0.434 117 R N -1.287 119.257 120.500 0.074 0.000 2.198 117 R HA -0.407 3.978 4.340 0.076 0.000 0.258 117 R C 1.969 178.327 176.300 0.097 0.000 1.173 117 R CA 2.962 59.107 56.100 0.075 0.000 0.991 117 R CB -1.152 29.180 30.300 0.053 0.000 0.879 117 R HN 0.222 8.531 8.270 0.066 0.000 0.460 118 V N -0.401 119.557 119.914 0.073 0.000 2.231 118 V HA -0.332 3.791 4.120 0.004 0.000 0.240 118 V C 2.252 178.441 176.094 0.158 0.000 1.039 118 V CA 3.569 65.895 62.300 0.044 0.000 0.998 118 V CB -0.026 31.757 31.823 -0.066 0.000 0.639 118 V HN -0.526 7.584 8.190 0.083 0.129 0.451 119 V N 0.511 120.508 119.914 0.139 0.000 2.546 119 V HA -0.513 3.708 4.120 0.169 0.000 0.254 119 V C 1.515 177.693 176.094 0.140 0.000 1.076 119 V CA 3.661 66.048 62.300 0.144 0.000 1.087 119 V CB -0.901 30.982 31.823 0.099 0.000 0.674 119 V HN 0.758 8.914 8.190 0.130 0.112 0.470 120 E N -0.071 120.206 120.200 0.128 0.000 2.204 120 E HA -0.360 4.016 4.350 0.044 0.000 0.195 120 E C 1.920 178.594 176.600 0.124 0.000 0.990 120 E CA 2.990 59.444 56.400 0.091 0.000 0.821 120 E CB 0.010 29.761 29.700 0.085 0.000 0.750 120 E HN 0.617 8.829 8.360 0.124 0.222 0.477 121 F N 0.805 120.786 119.950 0.052 0.000 2.128 121 F HA -0.247 4.397 4.527 0.194 0.000 0.295 121 F C 1.517 177.392 175.800 0.124 0.000 1.100 121 F CA 3.035 61.120 58.000 0.142 0.000 1.260 121 F CB -0.086 38.996 39.000 0.137 0.000 1.009 121 F HN 0.394 8.741 8.300 0.370 0.175 0.476 122 L N -0.431 120.899 121.223 0.178 0.000 2.079 122 L HA -0.285 3.885 4.340 -0.283 0.000 0.210 122 L C 2.755 179.526 176.870 -0.164 0.000 1.081 122 L CA 3.868 58.674 54.840 -0.056 0.000 0.752 122 L CB -0.423 41.738 42.059 0.170 0.000 0.896 122 L HN -0.614 7.953 8.230 0.561 0.000 0.433 123 V N -1.583 118.268 119.914 -0.106 0.000 3.129 123 V HA -0.227 3.827 4.120 -0.110 0.000 0.259 123 V C 1.296 177.252 176.094 -0.231 0.000 1.116 123 V CA 1.895 64.118 62.300 -0.127 0.000 1.127 123 V CB 0.244 32.026 31.823 -0.067 0.000 0.742 123 V HN -0.498 7.664 8.190 -0.030 0.010 0.474 124 K N -0.994 119.188 120.400 -0.364 0.000 2.098 124 K HA -0.122 3.921 4.320 -0.462 0.000 0.203 124 K C 0.571 176.611 176.600 -0.934 0.000 1.051 124 K CA 1.865 57.744 56.287 -0.680 0.000 0.957 124 K CB 0.682 32.671 32.500 -0.851 0.000 0.738 124 K HN -0.617 7.281 8.250 -0.300 0.172 0.447 125 H N -4.241 114.608 119.070 -0.367 0.000 4.071 125 H HA 0.297 4.731 4.556 -0.203 0.000 0.384 125 H C -1.253 173.883 175.328 -0.321 0.000 1.441 125 H CA -0.599 55.254 56.048 -0.325 0.000 1.200 125 H CB 0.982 30.510 29.762 -0.390 0.000 0.860 125 H HN -0.014 7.851 8.280 -0.692 0.000 0.765 126 T N -2.439 112.042 114.554 -0.122 0.000 0.591 126 T HA -0.346 3.980 4.350 -0.040 0.000 0.768 126 T C 0.180 174.836 174.700 -0.074 0.000 0.989 126 T CA 1.466 63.508 62.100 -0.096 0.000 4.034 126 T CB -0.434 68.350 68.868 -0.140 0.000 2.282 126 T HN -0.003 8.200 8.240 -0.062 0.000 0.399 127 A N -0.012 122.777 122.820 -0.052 0.000 2.308 127 A HA 0.068 4.367 4.320 -0.034 0.000 0.217 127 A C -0.793 176.757 177.584 -0.055 0.000 1.216 127 A CA -0.764 51.249 52.037 -0.039 0.000 0.864 127 A CB 0.064 19.058 19.000 -0.010 0.000 0.902 127 A HN 0.316 8.441 8.150 -0.041 0.000 0.499 128 S N -3.051 112.598 115.700 -0.085 0.000 3.639 128 S HA -0.354 4.187 4.470 -0.085 -0.123 0.806 128 S C -1.300 173.240 174.600 -0.100 0.000 1.494 128 S CA 1.041 59.190 58.200 -0.085 0.000 1.280 128 S CB 0.389 63.546 63.200 -0.073 0.000 0.406 128 S HN -0.451 7.722 8.310 -0.097 0.079 0.592 129 N N 0.949 119.598 118.700 -0.084 0.000 2.699 129 N HA 0.346 5.003 4.740 -0.138 0.000 0.317 129 N C 0.627 176.194 175.510 0.094 0.000 1.661 129 N CA -0.742 52.269 53.050 -0.065 0.000 0.979 129 N CB -0.027 38.396 38.487 -0.106 0.000 1.329 129 N HN 0.199 8.550 8.380 -0.049 0.000 0.497 130 V N -0.762 119.191 119.914 0.065 0.000 2.221 130 V HA -0.409 3.739 4.120 0.016 -0.019 0.244 130 V C 1.271 177.410 176.094 0.075 0.000 1.043 130 V CA 2.980 65.308 62.300 0.047 0.000 0.996 130 V CB -0.667 31.175 31.823 0.032 0.000 0.636 130 V HN -0.267 7.892 8.190 0.043 0.056 0.454 131 G N -4.516 104.341 108.800 0.095 0.000 3.262 131 G HA2 -0.209 3.785 3.960 0.056 0.000 0.228 131 G HA3 -0.209 3.786 3.960 0.058 0.000 0.228 131 G C -1.207 173.765 174.900 0.121 0.000 1.197 131 G CA -0.964 44.184 45.100 0.080 0.000 0.819 131 G HN 0.091 8.439 8.290 0.096 0.000 0.531 132 H N 2.734 121.850 119.070 0.077 0.000 3.901 132 H HA -0.214 4.406 4.556 0.107 0.000 0.233 132 H C -1.047 174.410 175.328 0.214 0.000 1.479 132 H CA 0.839 56.972 56.048 0.141 0.000 1.555 132 H CB -1.383 28.502 29.762 0.204 0.000 1.802 132 H HN -0.788 7.426 8.280 0.293 0.243 0.666 133 R N 3.233 123.787 120.500 0.089 0.000 2.347 133 R HA -0.098 4.537 4.340 0.185 -0.185 0.304 133 R C -0.709 175.661 176.300 0.116 0.000 1.072 133 R CA -0.093 56.083 56.100 0.127 0.000 0.980 133 R CB 0.324 30.660 30.300 0.059 0.000 0.986 133 R HN 0.092 8.339 8.270 0.006 0.026 0.448 134 N N 3.357 122.177 118.700 0.200 0.000 2.247 134 N HA -0.309 4.515 4.740 0.008 -0.079 0.252 134 N C 0.635 176.208 175.510 0.106 0.000 1.259 134 N CA 1.118 54.230 53.050 0.104 0.000 0.877 134 N CB 0.507 39.092 38.487 0.164 0.000 0.959 134 N HN -0.673 7.834 8.380 0.291 0.047 0.432 135 H N -0.583 118.515 119.070 0.047 0.000 2.321 135 H HA -0.218 4.351 4.556 0.022 0.000 0.300 135 H C 1.511 176.857 175.328 0.030 0.000 1.087 135 H CA 2.710 58.778 56.048 0.033 0.000 1.319 135 H CB 0.355 30.142 29.762 0.042 0.000 1.379 135 H HN 0.049 8.426 8.280 0.162 0.000 0.501 136 K N -3.859 116.651 120.400 0.184 0.000 2.098 136 K HA -0.119 4.236 4.320 0.059 0.000 0.203 136 K C 0.448 177.095 176.600 0.078 0.000 1.051 136 K CA 0.549 56.890 56.287 0.090 0.000 0.957 136 K CB 1.351 33.894 32.500 0.071 0.000 0.738 136 K HN -0.014 8.460 8.250 0.203 -0.102 0.447 137 G N -3.097 105.760 108.800 0.094 0.000 2.870 137 G HA2 -0.160 3.758 3.960 0.082 0.000 0.216 137 G HA3 -0.160 3.833 3.960 0.055 0.000 0.216 137 G C -1.437 173.514 174.900 0.085 0.000 0.973 137 G CA -0.137 45.010 45.100 0.078 0.000 0.807 137 G HN 0.358 9.293 8.290 0.120 -0.573 0.573 138 D N 4.063 124.520 120.400 0.095 0.000 2.429 138 D HA 0.023 4.957 4.640 0.034 -0.274 0.253 138 D C 0.823 177.213 176.300 0.151 0.000 1.294 138 D CA -0.191 53.856 54.000 0.079 0.000 1.063 138 D CB -1.805 39.030 40.800 0.058 0.000 1.096 138 D HN 0.081 8.701 8.370 0.100 -0.190 0.516 139 T N -0.788 113.816 114.554 0.083 0.000 2.732 139 T HA -0.215 4.611 4.350 0.466 -0.196 0.365 139 T C 0.860 175.176 174.700 -0.640 0.000 1.077 139 T CA 0.204 62.347 62.100 0.072 0.000 1.044 139 T CB 1.425 70.313 68.868 0.033 0.000 1.220 139 T HN -0.071 8.363 8.240 0.047 -0.166 0.517 140 A N -1.992 119.961 122.820 -1.445 0.000 2.239 140 A HA -0.085 3.006 4.320 -2.048 0.000 0.209 140 A C 1.566 178.889 177.584 -0.434 0.000 1.171 140 A CA 1.932 53.073 52.037 -1.495 0.000 0.768 140 A CB -1.052 17.497 19.000 -0.751 0.000 0.790 140 A HN 0.368 8.083 8.150 -0.724 0.000 0.478 141 C N -5.856 113.282 119.300 -0.270 0.000 2.525 141 C HA -0.015 4.389 4.460 -0.093 0.000 0.291 141 C C 0.437 175.372 174.990 -0.091 0.000 1.351 141 C CA 1.490 60.436 59.018 -0.120 0.000 1.771 141 C CB 1.023 28.717 27.740 -0.078 0.000 2.177 141 C HN 0.214 8.191 8.230 -0.280 0.086 0.510 142 D N 1.365 121.709 120.400 -0.094 0.000 2.371 142 D HA -0.096 4.500 4.640 -0.074 0.000 0.221 142 D C 1.689 177.926 176.300 -0.106 0.000 0.986 142 D CA 2.845 56.800 54.000 -0.076 0.000 0.899 142 D CB -0.449 40.327 40.800 -0.040 0.000 0.902 142 D HN -0.432 7.871 8.370 -0.110 0.000 0.530 143 L N -0.783 120.399 121.223 -0.069 0.000 2.194 143 L HA 0.022 4.291 4.340 -0.118 0.000 0.197 143 L C 1.365 178.318 176.870 0.138 0.000 1.106 143 L CA 2.714 57.573 54.840 0.033 0.000 0.785 143 L CB -0.550 41.619 42.059 0.183 0.000 0.960 143 L HN -0.643 7.426 8.230 -0.102 0.100 0.465 144 A N -2.857 120.050 122.820 0.146 0.000 2.139 144 A HA -0.199 4.461 4.320 0.268 -0.179 0.221 144 A C 1.959 179.592 177.584 0.082 0.000 1.159 144 A CA 2.270 54.402 52.037 0.159 0.000 0.662 144 A CB -0.442 18.598 19.000 0.068 0.000 0.796 144 A HN -0.480 7.707 8.150 0.062 0.000 0.463 145 R N -2.516 117.981 120.500 -0.005 0.000 2.051 145 R HA -0.183 4.149 4.340 -0.013 0.000 0.225 145 R C 2.216 178.462 176.300 -0.089 0.000 1.155 145 R CA 2.225 58.301 56.100 -0.039 0.000 0.945 145 R CB 0.005 30.271 30.300 -0.057 0.000 0.840 145 R HN -0.620 7.653 8.270 -0.026 -0.019 0.432 146 L N -0.331 120.765 121.223 -0.211 0.000 2.051 146 L HA -0.357 3.870 4.340 -0.188 0.000 0.214 146 L C 1.716 178.420 176.870 -0.276 0.000 1.076 146 L CA 2.988 57.643 54.840 -0.308 0.000 0.758 146 L CB -0.116 41.632 42.059 -0.518 0.000 0.890 146 L HN -0.606 7.492 8.230 -0.220 0.000 0.433 147 Y N -5.578 114.723 120.300 0.001 0.000 2.632 147 Y HA -0.156 4.395 4.550 0.001 0.000 0.301 147 Y C 1.441 177.336 175.900 -0.008 0.000 1.172 147 Y CA 0.506 58.604 58.100 -0.002 0.000 1.328 147 Y CB -0.221 38.236 38.460 -0.004 0.000 1.016 147 Y HN -0.453 7.577 8.280 -0.400 0.009 0.529 148 G N -0.786 108.064 108.800 0.083 0.000 2.579 148 G HA2 -0.441 3.533 3.960 0.022 0.000 0.222 148 G HA3 -0.441 3.552 3.960 0.054 0.000 0.222 148 G C -0.175 174.753 174.900 0.047 0.000 1.201 148 G CA -0.245 44.884 45.100 0.050 0.000 0.710 148 G HN 0.448 8.515 8.290 0.024 0.238 0.516 149 R N 1.659 122.202 120.500 0.071 0.000 3.252 149 R HA -0.201 4.156 4.340 0.027 0.000 0.333 149 R C 0.238 176.557 176.300 0.032 0.000 0.722 149 R CA -0.350 55.777 56.100 0.045 0.000 1.078 149 R CB -0.378 29.958 30.300 0.060 0.000 0.898 149 R HN -0.264 7.983 8.270 0.111 0.090 0.379 150 N N 3.027 121.738 118.700 0.018 0.000 2.349 150 N HA -0.193 4.552 4.740 0.008 0.000 0.180 150 N C 1.556 177.071 175.510 0.009 0.000 1.024 150 N CA 2.763 55.819 53.050 0.010 0.000 0.869 150 N CB -0.158 38.332 38.487 0.005 0.000 1.022 150 N HN 0.171 8.561 8.380 0.015 0.000 0.433 151 E N 0.922 121.127 120.200 0.010 0.000 2.233 151 E HA -0.265 4.089 4.350 0.008 0.000 0.199 151 E C 1.585 178.194 176.600 0.015 0.000 1.004 151 E CA 3.372 59.778 56.400 0.010 0.000 0.819 151 E CB -0.539 29.167 29.700 0.011 0.000 0.738 151 E HN 0.481 8.847 8.360 0.009 0.000 0.478 152 V N -2.685 117.241 119.914 0.019 0.000 2.535 152 V HA -0.214 3.924 4.120 0.031 0.000 0.246 152 V C 1.496 177.599 176.094 0.015 0.000 1.045 152 V CA 2.966 65.282 62.300 0.026 0.000 1.058 152 V CB -0.318 31.526 31.823 0.035 0.000 0.689 152 V HN -0.287 7.868 8.190 0.018 0.046 0.461 153 V N 1.155 121.074 119.914 0.010 0.000 2.229 153 V HA -0.432 3.681 4.120 -0.012 0.000 0.243 153 V C 1.791 177.881 176.094 -0.007 0.000 1.042 153 V CA 3.769 66.067 62.300 -0.004 0.000 1.000 153 V CB -0.892 30.928 31.823 -0.004 0.000 0.637 153 V HN -0.781 7.293 8.190 0.014 0.124 0.446 154 S N -0.187 115.511 115.700 -0.004 0.000 2.392 154 S HA -0.355 4.110 4.470 -0.008 0.000 0.232 154 S C 2.552 177.149 174.600 -0.006 0.000 1.041 154 S CA 3.597 61.794 58.200 -0.005 0.000 1.026 154 S CB -0.427 62.772 63.200 -0.002 0.000 0.845 154 S HN 0.415 8.611 8.310 -0.001 0.113 0.465 155 L N 1.507 122.730 121.223 -0.001 0.000 1.997 155 L HA -0.327 4.012 4.340 -0.002 0.000 0.216 155 L C 2.274 179.138 176.870 -0.010 0.000 1.074 155 L CA 3.208 58.048 54.840 -0.001 0.000 0.763 155 L CB -0.938 41.127 42.059 0.012 0.000 0.890 155 L HN -0.504 7.636 8.230 0.003 0.093 0.434 156 M N -2.707 116.886 119.600 -0.012 0.000 2.216 156 M HA -0.382 4.085 4.480 -0.022 0.000 0.264 156 M C 2.289 178.577 176.300 -0.020 0.000 1.080 156 M CA 3.845 59.133 55.300 -0.020 0.000 1.153 156 M CB -0.121 32.463 32.600 -0.028 0.000 1.356 156 M HN -0.454 7.757 8.290 -0.009 0.074 0.432 157 Q N -0.200 119.589 119.800 -0.018 0.000 2.096 157 Q HA -0.411 4.003 4.340 -0.017 -0.084 0.208 157 Q C 2.564 178.555 176.000 -0.014 0.000 0.993 157 Q CA 3.325 59.118 55.803 -0.016 0.000 0.862 157 Q CB -0.041 28.688 28.738 -0.015 0.000 0.915 157 Q HN 0.610 8.759 8.270 -0.018 0.109 0.416 158 A N -2.525 120.287 122.820 -0.014 0.000 1.930 158 A HA -0.160 4.153 4.320 -0.012 0.000 0.217 158 A C 1.593 179.166 177.584 -0.018 0.000 1.175 158 A CA 2.343 54.372 52.037 -0.014 0.000 0.627 158 A CB -0.421 18.572 19.000 -0.012 0.000 0.815 158 A HN 0.487 8.483 8.150 -0.013 0.146 0.443 159 N N -1.088 117.599 118.700 -0.022 0.000 2.652 159 N HA -0.121 4.600 4.740 -0.031 0.000 0.259 159 N C -0.380 175.115 175.510 -0.026 0.000 1.240 159 N CA -0.073 52.959 53.050 -0.029 0.000 0.951 159 N CB -0.970 37.494 38.487 -0.038 0.000 1.281 159 N HN -0.598 7.690 8.380 -0.020 0.080 0.507 160 G N -2.842 105.947 108.800 -0.019 0.000 2.416 160 G HA2 -0.316 3.637 3.960 -0.011 0.000 0.301 160 G HA3 -0.316 3.635 3.960 -0.014 0.000 0.301 160 G C -0.921 173.972 174.900 -0.011 0.000 0.985 160 G CA 1.193 46.284 45.100 -0.014 0.000 0.934 160 G HN -0.290 7.881 8.290 -0.018 0.109 0.513 161 A N -1.824 120.988 122.820 -0.013 0.000 2.312 161 A HA 0.120 4.440 4.320 0.000 0.000 0.215 161 A C -0.401 177.176 177.584 -0.012 0.000 1.256 161 A CA 0.139 52.170 52.037 -0.009 0.000 0.966 161 A CB 2.008 20.997 19.000 -0.018 0.000 1.053 161 A HN 0.249 8.277 8.150 -0.016 0.112 0.510 162 G N -0.768 108.022 108.800 -0.017 0.000 3.286 162 G HA2 0.144 4.086 3.960 -0.030 0.000 0.303 162 G HA3 0.144 4.131 3.960 -0.023 -0.040 0.303 162 G C 0.109 175.001 174.900 -0.014 0.000 0.974 162 G CA -1.002 44.085 45.100 -0.021 0.000 1.635 162 G HN -0.691 7.568 8.290 -0.016 0.022 0.535 163 G N 3.347 112.143 108.800 -0.008 0.000 2.672 163 G HA2 -0.387 3.575 3.960 0.002 0.000 0.324 163 G HA3 -0.387 3.570 3.960 -0.005 0.000 0.324 163 G C -0.682 174.215 174.900 -0.004 0.000 1.286 163 G CA 0.460 45.558 45.100 -0.003 0.000 1.004 163 G HN -0.591 7.663 8.290 -0.005 0.034 0.548 164 A N 0.120 122.937 122.820 -0.005 0.000 2.091 164 A HA -0.213 4.104 4.320 -0.005 0.000 0.270 164 A C -0.195 177.387 177.584 -0.003 0.000 1.368 164 A CA 0.341 52.376 52.037 -0.005 0.000 0.745 164 A CB -0.557 18.439 19.000 -0.007 0.000 1.173 164 A HN 0.215 8.362 8.150 -0.005 0.000 0.322 165 T N 0.425 114.978 114.554 -0.001 0.000 3.379 165 T HA -0.027 4.323 4.350 -0.000 0.000 0.274 165 T C -0.408 174.291 174.700 -0.001 0.000 1.555 165 T CA -0.583 61.517 62.100 -0.000 0.000 1.297 165 T CB -1.624 67.245 68.868 0.002 0.000 1.132 165 T HN 0.057 8.296 8.240 -0.001 0.000 0.722 166 N N 4.122 122.821 118.700 -0.002 0.000 2.546 166 N HA 0.153 4.892 4.740 -0.002 0.000 0.238 166 N C -1.275 174.233 175.510 -0.003 0.000 0.984 166 N CA 0.250 53.299 53.050 -0.002 0.000 0.935 166 N CB 0.393 38.878 38.487 -0.003 0.000 1.122 166 N HN -0.163 8.160 8.380 -0.003 0.055 0.510 167 L N 5.912 127.134 121.223 -0.002 0.000 2.999 167 L HA 0.277 4.615 4.340 -0.003 0.000 0.263 167 L C -1.377 175.492 176.870 -0.002 0.000 1.320 167 L CA 0.437 55.276 54.840 -0.003 0.000 0.913 167 L CB 0.244 42.301 42.059 -0.002 0.000 1.296 167 L HN 0.412 8.641 8.230 -0.002 0.000 0.546 168 Q N 0.000 119.799 119.800 -0.002 0.000 2.315 168 Q HA 0.000 4.339 4.340 -0.002 0.000 0.214 168 Q CA 0.000 55.802 55.803 -0.002 0.000 1.022 168 Q CB 0.000 28.737 28.738 -0.001 0.000 1.108 168 Q HN 0.000 8.269 8.270 -0.002 0.000 0.481