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 2jrf_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAASTDIAGL EESFRKFAIH GDPKASGQEM NGKNWAKLCK DCKVADGKSV DATA SEQUENCE TGTDVDIVFS KVKGKSARVI NYEEFKKALE ELATKRFKGK SKEEAFDAIC DATA SEQUENCE QLVAGKEPAN VGVTKAKTGG AVDRLTDTSR YTGSHKERFD ESGKGKGIAG DATA SEQUENCE RQDILDDSGY VSAYKNAGTY DAKVKKLE 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 4.485 4.480 0.008 0.000 0.227 1 M C 0.000 176.312 176.300 0.019 0.000 1.140 1 M CA 0.000 55.308 55.300 0.014 0.000 0.988 1 M CB 0.000 32.611 32.600 0.019 0.000 1.302 2 A N 1.633 124.461 122.820 0.014 0.000 1.641 2 A HA -0.217 4.111 4.320 0.012 0.000 0.211 2 A C -1.107 176.488 177.584 0.020 0.000 1.300 2 A CA -0.004 52.043 52.037 0.016 0.000 0.653 2 A CB -0.192 18.820 19.000 0.020 0.000 1.164 2 A HN 0.426 8.582 8.150 0.010 0.000 0.206 3 A N 4.382 127.210 122.820 0.013 0.000 3.052 3 A HA -0.125 4.205 4.320 0.017 0.000 0.266 3 A C -0.089 177.508 177.584 0.021 0.000 1.855 3 A CA 0.122 52.167 52.037 0.015 0.000 1.473 3 A CB -1.447 17.556 19.000 0.005 0.000 1.038 3 A HN 0.535 8.691 8.150 0.009 0.000 0.619 4 S N 0.539 116.257 115.700 0.030 0.000 6.814 4 S HA -0.047 4.439 4.470 0.027 0.000 0.074 4 S C -0.409 174.205 174.600 0.024 0.000 1.323 4 S CA 0.390 58.605 58.200 0.024 0.000 1.268 4 S CB 0.015 63.222 63.200 0.012 0.000 1.647 4 S HN 0.498 8.900 8.310 0.037 -0.069 0.540 5 T N 1.175 115.744 114.554 0.024 0.000 3.471 5 T HA 0.364 4.726 4.350 0.021 0.000 0.355 5 T C -0.541 174.189 174.700 0.050 0.000 1.775 5 T CA -0.956 61.160 62.100 0.028 0.000 1.305 5 T CB -0.649 68.230 68.868 0.018 0.000 1.171 5 T HN -0.166 8.086 8.240 0.021 0.000 0.776 6 D N 3.573 124.020 120.400 0.079 0.000 2.084 6 D HA -0.029 4.840 4.640 0.070 -0.187 0.199 6 D C 0.870 177.232 176.300 0.103 0.000 0.981 6 D CA 2.822 56.879 54.000 0.095 0.000 0.841 6 D CB 0.430 41.310 40.800 0.133 0.000 0.997 6 D HN 0.098 8.523 8.370 0.091 0.000 0.454 7 I N -2.805 117.844 120.570 0.132 0.000 3.883 7 I HA -0.071 4.160 4.170 0.102 0.000 0.305 7 I C 0.578 176.755 176.117 0.100 0.000 1.247 7 I CA 0.219 61.593 61.300 0.123 0.000 1.350 7 I CB 1.273 39.369 38.000 0.159 0.000 1.194 7 I HN -0.707 7.731 8.210 0.154 -0.135 0.441 8 A N -1.022 121.857 122.820 0.099 0.000 1.257 8 A HA -0.481 3.941 4.320 0.062 -0.064 0.262 8 A C 1.414 179.054 177.584 0.094 0.000 1.061 8 A CA 2.288 54.371 52.037 0.076 0.000 1.094 8 A CB -2.452 16.581 19.000 0.056 0.000 1.471 8 A HN 0.415 8.940 8.150 0.110 -0.309 0.723 9 G N -2.313 106.541 108.800 0.091 0.000 2.446 9 G HA2 -0.341 3.672 3.960 0.088 0.000 0.217 9 G HA3 -0.341 3.670 3.960 0.084 0.000 0.217 9 G C 0.674 175.657 174.900 0.140 0.000 1.168 9 G CA 2.096 47.255 45.100 0.098 0.000 0.771 9 G HN 0.116 8.404 8.290 0.080 0.050 0.551 10 L N 0.590 121.910 121.223 0.161 0.000 2.012 10 L HA -0.365 4.113 4.340 0.230 0.000 0.210 10 L C 1.547 178.607 176.870 0.316 0.000 1.073 10 L CA 2.922 57.905 54.840 0.237 0.000 0.748 10 L CB -0.096 42.102 42.059 0.231 0.000 0.891 10 L HN -0.150 8.162 8.230 0.137 0.000 0.431 11 E N -2.145 118.213 120.200 0.264 0.000 2.153 11 E HA -0.454 4.074 4.350 0.297 0.000 0.194 11 E C 2.322 179.048 176.600 0.210 0.000 0.988 11 E CA 3.289 59.821 56.400 0.219 0.000 0.811 11 E CB -0.867 28.870 29.700 0.062 0.000 0.746 11 E HN -0.017 8.405 8.360 0.218 0.069 0.466 12 E N 0.410 120.710 120.200 0.167 0.000 2.028 12 E HA -0.381 4.037 4.350 0.114 0.000 0.191 12 E C 2.225 178.928 176.600 0.172 0.000 0.988 12 E CA 2.869 59.351 56.400 0.137 0.000 0.799 12 E CB -0.346 29.414 29.700 0.099 0.000 0.755 12 E HN 0.161 8.502 8.360 0.152 0.110 0.447 13 S N 0.869 116.698 115.700 0.215 0.000 2.399 13 S HA -0.267 4.342 4.470 0.232 0.000 0.231 13 S C 2.033 176.840 174.600 0.345 0.000 1.022 13 S CA 4.133 62.500 58.200 0.278 0.000 0.983 13 S CB -0.067 63.310 63.200 0.296 0.000 0.803 13 S HN -0.197 8.236 8.310 0.206 0.000 0.480 14 F N 3.667 123.701 119.950 0.140 0.000 2.095 14 F HA -0.353 4.117 4.527 -0.094 0.000 0.298 14 F C 1.234 177.068 175.800 0.057 0.000 1.104 14 F CA 3.795 61.784 58.000 -0.019 0.000 1.232 14 F CB 0.014 38.923 39.000 -0.152 0.000 0.987 14 F HN 0.202 8.736 8.300 0.403 0.008 0.475 15 R N -1.246 119.357 120.500 0.171 0.000 2.083 15 R HA -0.563 3.794 4.340 0.028 0.000 0.237 15 R C 2.399 178.696 176.300 -0.006 0.000 1.137 15 R CA 3.854 59.993 56.100 0.064 0.000 0.951 15 R CB -0.367 29.993 30.300 0.100 0.000 0.851 15 R HN -0.325 8.124 8.270 0.297 0.000 0.434 16 K N -1.689 118.726 120.400 0.025 0.000 2.077 16 K HA -0.357 3.914 4.320 -0.081 0.000 0.213 16 K C 1.983 178.471 176.600 -0.186 0.000 1.051 16 K CA 2.784 59.024 56.287 -0.079 0.000 0.929 16 K CB -0.440 32.004 32.500 -0.094 0.000 0.715 16 K HN -0.121 8.178 8.250 0.083 0.000 0.451 17 F N -5.567 114.302 119.950 -0.135 0.000 2.416 17 F HA -0.063 4.385 4.527 -0.132 0.000 0.296 17 F C 2.414 178.108 175.800 -0.177 0.000 1.099 17 F CA 2.203 60.106 58.000 -0.162 0.000 1.427 17 F CB 0.130 39.024 39.000 -0.177 0.000 1.079 17 F HN -0.709 7.735 8.300 0.241 0.000 0.536 18 A N 1.002 123.724 122.820 -0.162 0.000 1.855 18 A HA -0.171 4.013 4.320 -0.228 0.000 0.215 18 A C 1.026 178.587 177.584 -0.039 0.000 1.191 18 A CA 2.679 54.582 52.037 -0.224 0.000 0.613 18 A CB 0.030 18.784 19.000 -0.410 0.000 0.829 18 A HN 0.044 7.870 8.150 -0.212 0.196 0.442 19 I N -9.305 111.254 120.570 -0.019 0.000 3.550 19 I HA -0.049 4.267 4.170 0.011 -0.140 0.295 19 I C -0.754 175.377 176.117 0.022 0.000 1.291 19 I CA -0.790 60.514 61.300 0.007 0.000 1.298 19 I CB -1.056 36.944 38.000 0.000 0.000 1.026 19 I HN -0.344 7.842 8.210 -0.039 0.000 0.491 20 H N 2.955 121.988 119.070 -0.061 0.000 3.524 20 H HA -0.228 4.281 4.556 -0.078 0.000 0.242 20 H C 0.012 175.324 175.328 -0.026 0.000 1.328 20 H CA 2.083 58.094 56.048 -0.061 0.000 1.534 20 H CB -1.728 27.991 29.762 -0.072 0.000 1.689 20 H HN -0.850 7.290 8.280 0.115 0.208 0.537 21 G N 7.410 116.060 108.800 -0.250 0.000 3.031 21 G HA2 -0.184 3.622 3.960 -0.256 0.000 0.198 21 G HA3 -0.184 3.660 3.960 -0.193 0.000 0.198 21 G C -1.814 173.040 174.900 -0.076 0.000 1.242 21 G CA -0.424 44.551 45.100 -0.207 0.000 0.878 21 G HN -0.217 7.969 8.290 -0.173 0.000 0.493 22 D N 1.989 122.372 120.400 -0.028 0.000 2.469 22 D HA 0.484 5.130 4.640 0.010 0.000 0.251 22 D C -1.014 175.289 176.300 0.005 0.000 1.173 22 D CA -3.022 50.986 54.000 0.013 0.000 0.882 22 D CB 1.432 42.272 40.800 0.067 0.000 1.129 22 D HN -0.183 8.172 8.370 -0.025 0.000 0.549 23 P HA 0.109 4.524 4.420 -0.008 0.000 0.241 23 P C -0.036 177.255 177.300 -0.016 0.000 1.191 23 P CA 0.711 63.802 63.100 -0.015 0.000 0.771 23 P CB 0.560 32.245 31.700 -0.025 0.000 0.929 24 K N -2.550 117.837 120.400 -0.022 0.000 2.400 24 K HA -0.040 4.257 4.320 -0.039 0.000 0.194 24 K C 0.488 177.093 176.600 0.007 0.000 1.033 24 K CA 0.347 56.613 56.287 -0.035 0.000 1.021 24 K CB -0.409 32.027 32.500 -0.107 0.000 0.808 24 K HN -0.067 8.398 8.250 -0.017 -0.224 0.505 25 A N -2.102 120.738 122.820 0.033 0.000 2.067 25 A HA -0.208 4.152 4.320 0.066 0.000 0.219 25 A C 0.836 178.453 177.584 0.056 0.000 1.158 25 A CA 1.677 53.747 52.037 0.056 0.000 0.661 25 A CB 0.110 19.148 19.000 0.062 0.000 0.801 25 A HN -0.596 7.620 8.150 0.030 -0.049 0.452 26 S N -5.753 109.971 115.700 0.039 0.000 1.619 26 S HA -0.369 4.117 4.470 0.027 0.000 0.235 26 S C -0.139 174.502 174.600 0.070 0.000 0.805 26 S CA 2.331 60.556 58.200 0.042 0.000 1.403 26 S CB -0.662 62.562 63.200 0.040 0.000 1.782 26 S HN -0.180 8.102 8.310 0.026 0.044 0.524 27 G N -0.688 108.178 108.800 0.111 0.000 2.419 27 G HA2 -0.077 3.979 3.960 0.161 0.000 0.228 27 G HA3 -0.077 4.015 3.960 0.220 0.000 0.228 27 G C -1.314 173.795 174.900 0.348 0.000 1.177 27 G CA -0.211 45.017 45.100 0.213 0.000 0.876 27 G HN -0.002 8.251 8.290 0.104 0.099 0.493 28 Q N -0.563 119.395 119.800 0.263 0.000 2.349 28 Q HA -0.158 4.298 4.340 0.194 0.000 0.209 28 Q C -1.480 174.724 176.000 0.339 0.000 0.920 28 Q CA 1.688 57.635 55.803 0.239 0.000 0.901 28 Q CB 1.058 29.883 28.738 0.144 0.000 1.021 28 Q HN -0.085 8.300 8.270 0.192 0.000 0.519 29 E N -4.792 115.609 120.200 0.335 0.000 2.431 29 E HA 0.810 5.578 4.350 0.411 -0.171 0.268 29 E C -1.591 175.147 176.600 0.230 0.000 0.953 29 E CA -2.397 54.197 56.400 0.324 0.000 0.810 29 E CB 3.261 33.079 29.700 0.197 0.000 1.369 29 E HN -0.564 7.949 8.360 0.256 0.000 0.440 30 M N -0.720 119.020 119.600 0.233 0.000 2.325 30 M HA 0.406 4.916 4.480 0.050 0.000 0.285 30 M C -2.580 173.912 176.300 0.321 0.000 1.119 30 M CA 0.160 55.550 55.300 0.150 0.000 0.959 30 M CB 3.685 36.301 32.600 0.028 0.000 1.737 30 M HN -0.107 8.356 8.290 0.288 0.000 0.486 31 N N 3.756 122.582 118.700 0.211 0.000 2.434 31 N HA 0.384 5.530 4.740 0.406 -0.163 0.266 31 N C 1.142 176.539 175.510 -0.188 0.000 1.223 31 N CA -1.063 52.093 53.050 0.177 0.000 0.972 31 N CB 1.168 39.725 38.487 0.116 0.000 1.207 31 N HN 0.023 8.488 8.380 0.142 0.000 0.525 32 G N -1.641 106.819 108.800 -0.566 0.000 2.450 32 G HA2 -0.391 2.432 3.960 -1.895 0.000 0.220 32 G HA3 -0.391 3.147 3.960 -0.703 0.000 0.220 32 G C 1.076 175.796 174.900 -0.299 0.000 1.130 32 G CA 2.068 46.610 45.100 -0.929 0.000 0.760 32 G HN 0.463 8.620 8.290 -0.222 0.000 0.557 33 K N 1.432 121.757 120.400 -0.125 0.000 2.001 33 K HA -0.346 3.943 4.320 -0.053 0.000 0.208 33 K C 1.772 178.368 176.600 -0.007 0.000 1.048 33 K CA 3.680 59.944 56.287 -0.038 0.000 0.932 33 K CB 0.090 32.601 32.500 0.019 0.000 0.715 33 K HN -0.261 8.081 8.250 -0.098 -0.151 0.437 34 N N -0.537 118.193 118.700 0.051 0.000 2.120 34 N HA -0.241 4.579 4.740 0.133 0.000 0.188 34 N C 1.928 177.473 175.510 0.059 0.000 1.024 34 N CA 3.091 56.212 53.050 0.119 0.000 0.852 34 N CB -0.384 38.205 38.487 0.170 0.000 1.003 34 N HN -0.499 8.189 8.380 0.057 -0.275 0.424 35 W N 1.490 122.705 121.300 -0.141 0.000 2.358 35 W HA -0.282 4.316 4.660 -0.104 0.000 0.303 35 W C 0.991 177.422 176.519 -0.147 0.000 1.208 35 W CA 2.953 60.222 57.345 -0.126 0.000 1.274 35 W CB 0.079 29.485 29.460 -0.090 0.000 1.138 35 W HN 0.191 8.457 8.180 0.143 0.000 0.515 36 A N -0.682 121.959 122.820 -0.299 0.000 1.902 36 A HA -0.453 3.546 4.320 -0.536 0.000 0.217 36 A C 1.767 179.168 177.584 -0.305 0.000 1.181 36 A CA 3.062 54.885 52.037 -0.357 0.000 0.623 36 A CB -0.995 17.904 19.000 -0.169 0.000 0.818 36 A HN -0.060 7.921 8.150 -0.108 0.104 0.443 37 K N -1.039 119.252 120.400 -0.181 0.000 2.097 37 K HA -0.276 3.995 4.320 -0.083 0.000 0.205 37 K C 1.861 178.350 176.600 -0.185 0.000 1.050 37 K CA 3.040 59.275 56.287 -0.087 0.000 0.938 37 K CB 0.071 32.611 32.500 0.066 0.000 0.718 37 K HN -0.188 7.987 8.250 -0.125 0.000 0.442 38 L N 0.069 120.971 121.223 -0.534 0.000 2.013 38 L HA -0.372 3.020 4.340 -1.579 0.000 0.212 38 L C 1.987 178.534 176.870 -0.538 0.000 1.073 38 L CA 3.175 57.407 54.840 -1.013 0.000 0.753 38 L CB -0.098 41.331 42.059 -1.049 0.000 0.890 38 L HN 0.142 7.918 8.230 -0.461 0.177 0.432 39 C N -3.227 115.733 119.300 -0.567 0.000 2.429 39 C HA -0.500 3.723 4.460 -0.394 0.000 0.277 39 C C 1.475 176.314 174.990 -0.251 0.000 1.262 39 C CA 4.949 63.702 59.018 -0.442 0.000 1.733 39 C CB -0.604 26.800 27.740 -0.559 0.000 2.010 39 C HN -0.381 7.424 8.230 -0.709 0.000 0.483 40 K N 0.919 121.192 120.400 -0.212 0.000 1.985 40 K HA -0.316 3.938 4.320 -0.110 0.000 0.210 40 K C 2.512 179.074 176.600 -0.062 0.000 1.047 40 K CA 3.267 59.485 56.287 -0.116 0.000 0.932 40 K CB -0.284 32.163 32.500 -0.089 0.000 0.716 40 K HN -0.600 7.409 8.250 -0.260 0.084 0.439 41 D N -0.032 120.355 120.400 -0.022 0.000 2.158 41 D HA -0.210 4.449 4.640 0.033 0.000 0.197 41 D C 1.320 177.632 176.300 0.020 0.000 0.995 41 D CA 3.036 57.062 54.000 0.043 0.000 0.846 41 D CB -0.241 40.673 40.800 0.189 0.000 0.941 41 D HN 0.433 8.788 8.370 -0.025 0.000 0.456 42 C N -4.979 114.308 119.300 -0.023 0.000 2.697 42 C HA -0.063 4.404 4.460 0.012 0.000 0.267 42 C C -1.183 173.787 174.990 -0.034 0.000 1.278 42 C CA -0.092 58.914 59.018 -0.020 0.000 1.708 42 C CB 0.759 28.475 27.740 -0.040 0.000 1.860 42 C HN -0.602 7.573 8.230 -0.072 0.012 0.589 43 K N -2.932 117.436 120.400 -0.054 0.000 3.016 43 K HA -0.435 3.857 4.320 -0.067 -0.012 0.262 43 K C -0.034 176.531 176.600 -0.058 0.000 1.043 43 K CA 1.160 57.415 56.287 -0.053 0.000 0.761 43 K CB -2.893 29.589 32.500 -0.030 0.000 1.230 43 K HN -0.237 7.761 8.250 -0.061 0.215 0.485 44 V N -2.348 117.517 119.914 -0.082 0.000 2.427 44 V HA -0.308 3.796 4.120 -0.027 0.000 0.248 44 V C 0.553 176.593 176.094 -0.090 0.000 1.051 44 V CA 3.307 65.563 62.300 -0.072 0.000 1.048 44 V CB -0.020 31.743 31.823 -0.100 0.000 0.666 44 V HN -0.243 7.837 8.190 -0.107 0.046 0.456 45 A N -1.791 120.954 122.820 -0.125 0.000 2.981 45 A HA -0.040 4.319 4.320 -0.092 -0.094 0.280 45 A C -0.542 176.994 177.584 -0.080 0.000 1.743 45 A CA -0.743 51.228 52.037 -0.108 0.000 1.430 45 A CB -1.111 17.806 19.000 -0.139 0.000 1.085 45 A HN -0.640 7.416 8.150 -0.158 0.000 0.597 46 D N 2.564 122.923 120.400 -0.070 0.000 2.347 46 D HA -0.190 4.416 4.640 -0.056 0.000 0.215 46 D C 1.180 177.449 176.300 -0.052 0.000 0.976 46 D CA 0.100 54.063 54.000 -0.061 0.000 0.884 46 D CB 0.200 40.959 40.800 -0.069 0.000 0.915 46 D HN -0.409 7.896 8.370 -0.072 0.022 0.526 47 G N 0.374 109.144 108.800 -0.049 0.000 2.320 47 G HA2 -0.423 3.515 3.960 -0.036 0.000 0.242 47 G HA3 -0.423 3.515 3.960 -0.036 0.000 0.242 47 G C 0.429 175.307 174.900 -0.036 0.000 1.033 47 G CA 0.484 45.561 45.100 -0.039 0.000 0.620 47 G HN 0.215 8.329 8.290 -0.054 0.144 0.517 48 K N -0.586 119.789 120.400 -0.043 0.000 2.166 48 K HA -0.033 4.267 4.320 -0.034 0.000 0.201 48 K C 0.987 177.561 176.600 -0.044 0.000 1.052 48 K CA 1.134 57.396 56.287 -0.042 0.000 0.969 48 K CB 0.798 33.269 32.500 -0.048 0.000 0.761 48 K HN -0.310 7.909 8.250 -0.049 0.002 0.459 49 S N -1.166 114.503 115.700 -0.053 0.000 2.748 49 S HA 0.005 4.450 4.470 -0.042 0.000 0.241 49 S C -0.282 174.297 174.600 -0.036 0.000 1.064 49 S CA 0.939 59.108 58.200 -0.051 0.000 0.892 49 S CB 1.837 64.991 63.200 -0.077 0.000 0.810 49 S HN -0.260 8.373 8.310 -0.060 -0.359 0.555 50 V N 4.301 124.190 119.914 -0.041 0.000 2.334 50 V HA 0.244 4.357 4.120 -0.012 0.000 0.281 50 V C -1.205 174.867 176.094 -0.036 0.000 1.016 50 V CA -1.011 61.271 62.300 -0.029 0.000 0.832 50 V CB 1.104 32.907 31.823 -0.033 0.000 0.999 50 V HN -0.205 8.290 8.190 -0.055 -0.338 0.439 51 T N 3.640 118.180 114.554 -0.022 0.000 2.912 51 T HA 0.201 4.529 4.350 -0.036 0.000 0.280 51 T C 1.282 175.967 174.700 -0.026 0.000 0.989 51 T CA -2.010 60.074 62.100 -0.025 0.000 0.995 51 T CB 2.296 71.156 68.868 -0.014 0.000 1.077 51 T HN 0.020 8.254 8.240 -0.009 0.000 0.531 52 G N 0.586 109.367 108.800 -0.033 0.000 2.514 52 G HA2 -0.392 3.529 3.960 -0.064 0.000 0.217 52 G HA3 -0.392 3.547 3.960 -0.034 0.000 0.217 52 G C 1.230 176.128 174.900 -0.003 0.000 1.198 52 G CA 2.900 47.979 45.100 -0.035 0.000 0.780 52 G HN 0.534 8.804 8.290 -0.033 0.000 0.565 53 T N 3.722 118.283 114.554 0.011 0.000 2.665 53 T HA -0.387 3.986 4.350 0.039 0.000 0.268 53 T C 1.838 176.572 174.700 0.057 0.000 1.035 53 T CA 4.772 66.892 62.100 0.033 0.000 1.151 53 T CB -0.288 68.596 68.868 0.027 0.000 0.862 53 T HN -0.258 7.984 8.240 0.002 0.000 0.438 54 D N 1.086 121.515 120.400 0.047 0.000 2.149 54 D HA -0.226 4.456 4.640 0.070 0.000 0.198 54 D C 2.077 178.448 176.300 0.118 0.000 0.990 54 D CA 3.310 57.350 54.000 0.067 0.000 0.839 54 D CB -0.026 40.800 40.800 0.043 0.000 0.948 54 D HN -0.789 7.597 8.370 0.027 0.000 0.460 55 V N -2.185 117.791 119.914 0.104 0.000 2.407 55 V HA -0.532 3.747 4.120 0.264 0.000 0.248 55 V C 1.629 177.944 176.094 0.369 0.000 1.055 55 V CA 4.332 66.744 62.300 0.186 0.000 1.049 55 V CB -0.141 31.654 31.823 -0.048 0.000 0.662 55 V HN -0.011 8.118 8.190 0.047 0.089 0.455 56 D N -0.018 120.519 120.400 0.228 0.000 2.183 56 D HA -0.207 4.635 4.640 0.337 0.000 0.203 56 D C 2.306 178.766 176.300 0.268 0.000 0.969 56 D CA 3.385 57.538 54.000 0.255 0.000 0.842 56 D CB -0.004 40.880 40.800 0.139 0.000 0.957 56 D HN -0.626 7.704 8.370 0.137 0.122 0.484 57 I N 0.423 121.107 120.570 0.191 0.000 2.142 57 I HA -0.467 3.779 4.170 0.127 0.000 0.240 57 I C 2.124 178.333 176.117 0.153 0.000 1.078 57 I CA 3.213 64.600 61.300 0.145 0.000 1.343 57 I CB -0.814 37.246 38.000 0.101 0.000 1.046 57 I HN 0.081 8.311 8.210 0.162 0.078 0.405 58 V N -0.115 119.914 119.914 0.191 0.000 2.282 58 V HA -0.610 3.562 4.120 0.087 0.000 0.249 58 V C 2.122 178.273 176.094 0.096 0.000 1.057 58 V CA 4.401 66.794 62.300 0.156 0.000 1.032 58 V CB -0.304 31.665 31.823 0.243 0.000 0.645 58 V HN -0.060 8.259 8.190 0.214 0.000 0.447 59 F N -0.523 119.442 119.950 0.025 0.000 2.126 59 F HA -0.435 3.884 4.527 -0.346 0.000 0.299 59 F C 1.504 177.270 175.800 -0.056 0.000 1.096 59 F CA 3.523 61.441 58.000 -0.136 0.000 1.255 59 F CB 0.154 39.125 39.000 -0.048 0.000 0.997 59 F HN -0.569 8.014 8.300 0.472 0.000 0.479 60 S N -1.681 114.110 115.700 0.151 0.000 2.453 60 S HA -0.222 4.267 4.470 0.032 0.000 0.231 60 S C 1.705 176.288 174.600 -0.029 0.000 1.005 60 S CA 2.455 60.693 58.200 0.063 0.000 0.949 60 S CB -0.301 62.975 63.200 0.127 0.000 0.774 60 S HN -0.011 8.377 8.310 0.267 0.083 0.510 61 K N 0.372 120.752 120.400 -0.034 0.000 2.029 61 K HA -0.075 4.226 4.320 -0.032 0.000 0.205 61 K C 2.437 178.976 176.600 -0.101 0.000 1.042 61 K CA 2.576 58.835 56.287 -0.047 0.000 0.949 61 K CB 0.557 33.046 32.500 -0.018 0.000 0.740 61 K HN -0.367 7.723 8.250 -0.002 0.158 0.442 62 V N -4.009 115.816 119.914 -0.148 0.000 2.490 62 V HA -0.379 3.664 4.120 -0.128 0.000 0.250 62 V C 1.462 177.431 176.094 -0.208 0.000 1.061 62 V CA 2.902 65.096 62.300 -0.177 0.000 1.064 62 V CB -0.097 31.593 31.823 -0.221 0.000 0.670 62 V HN -0.185 7.918 8.190 -0.145 0.000 0.461 63 K N -1.956 118.271 120.400 -0.289 0.000 2.009 63 K HA -0.283 4.026 4.320 -0.292 -0.163 0.210 63 K C 1.851 178.358 176.600 -0.156 0.000 1.049 63 K CA 2.010 58.129 56.287 -0.280 0.000 0.929 63 K CB -0.050 32.230 32.500 -0.368 0.000 0.714 63 K HN -0.815 7.205 8.250 -0.336 0.029 0.440 64 G N -0.139 108.589 108.800 -0.119 0.000 4.236 64 G HA2 -0.479 3.444 3.960 -0.062 0.000 0.222 64 G HA3 -0.479 3.438 3.960 -0.072 0.000 0.222 64 G C 0.368 175.233 174.900 -0.058 0.000 1.354 64 G CA 1.312 46.367 45.100 -0.076 0.000 0.966 64 G HN -0.030 8.184 8.290 -0.127 0.000 0.624 65 K N 5.412 125.777 120.400 -0.059 0.000 3.233 65 K HA 0.037 4.338 4.320 -0.032 0.000 0.283 65 K C 0.196 176.779 176.600 -0.029 0.000 1.209 65 K CA -1.090 55.174 56.287 -0.039 0.000 1.197 65 K CB -1.644 30.836 32.500 -0.033 0.000 1.431 65 K HN -0.215 7.921 8.250 -0.072 0.070 0.326 66 S N 0.136 115.820 115.700 -0.027 0.000 4.151 66 S HA -0.559 3.907 4.470 -0.007 0.000 0.533 66 S C -0.209 174.387 174.600 -0.006 0.000 1.753 66 S CA 2.366 60.560 58.200 -0.010 0.000 4.124 66 S CB -1.116 62.085 63.200 0.001 0.000 0.941 66 S HN 0.580 8.793 8.310 -0.030 0.078 0.454 67 A N 2.197 125.020 122.820 0.006 0.000 1.446 67 A HA -0.379 3.964 4.320 0.038 0.000 0.246 67 A C 0.324 177.947 177.584 0.066 0.000 0.985 67 A CA 0.800 52.848 52.037 0.019 0.000 0.553 67 A CB -0.036 18.948 19.000 -0.026 0.000 1.493 67 A HN -0.099 8.055 8.150 0.007 0.000 0.195 68 R N 3.031 123.598 120.500 0.111 0.000 2.237 68 R HA -0.287 4.175 4.340 0.203 0.000 0.219 68 R C -1.387 175.096 176.300 0.305 0.000 1.080 68 R CA 1.899 58.109 56.100 0.184 0.000 0.995 68 R CB 0.365 30.749 30.300 0.140 0.000 0.875 68 R HN 0.471 8.797 8.270 0.093 0.000 0.462 69 V N -10.437 109.610 119.914 0.220 0.000 3.078 69 V HA 0.668 5.276 4.120 0.602 -0.127 0.311 69 V C -1.619 174.506 176.094 0.051 0.000 1.138 69 V CA -3.580 58.889 62.300 0.283 0.000 1.007 69 V CB 4.032 35.984 31.823 0.215 0.000 1.045 69 V HN -0.970 7.231 8.190 0.128 0.066 0.432 70 I N -3.693 116.899 120.570 0.038 0.000 2.603 70 I HA 0.553 4.645 4.170 -0.130 0.000 0.300 70 I C -1.144 175.037 176.117 0.107 0.000 1.017 70 I CA -2.197 59.052 61.300 -0.084 0.000 1.098 70 I CB 3.110 40.921 38.000 -0.315 0.000 1.279 70 I HN 0.404 8.770 8.210 0.260 0.000 0.437 71 N N 2.022 120.763 118.700 0.069 0.000 2.493 71 N HA 0.215 5.270 4.740 0.210 -0.189 0.275 71 N C 0.990 176.569 175.510 0.115 0.000 1.186 71 N CA -1.276 51.852 53.050 0.130 0.000 0.978 71 N CB 1.771 40.307 38.487 0.082 0.000 1.184 71 N HN -0.387 8.181 8.380 -0.002 -0.189 0.487 72 Y N 2.471 122.730 120.300 -0.069 0.000 2.096 72 Y HA -0.565 3.626 4.550 -0.599 0.000 0.278 72 Y C 1.193 177.058 175.900 -0.059 0.000 1.192 72 Y CA 5.284 63.208 58.100 -0.294 0.000 1.143 72 Y CB 0.111 38.331 38.460 -0.399 0.000 0.963 72 Y HN -0.207 8.187 8.280 0.189 0.000 0.505 73 E N -3.425 116.726 120.200 -0.082 0.000 2.070 73 E HA -0.457 3.760 4.350 -0.222 0.000 0.197 73 E C 2.715 179.220 176.600 -0.159 0.000 1.004 73 E CA 3.301 59.618 56.400 -0.138 0.000 0.805 73 E CB -1.227 28.454 29.700 -0.032 0.000 0.744 73 E HN 0.480 8.893 8.360 0.088 0.000 0.451 74 E N -1.415 118.722 120.200 -0.106 0.000 2.358 74 E HA -0.190 4.078 4.350 -0.137 0.000 0.195 74 E C 2.316 178.826 176.600 -0.150 0.000 1.010 74 E CA 1.754 58.076 56.400 -0.130 0.000 0.856 74 E CB -0.270 29.347 29.700 -0.138 0.000 0.795 74 E HN -0.271 7.967 8.360 -0.064 0.084 0.504 75 F N 2.352 122.144 119.950 -0.263 0.000 2.128 75 F HA -0.318 4.019 4.527 -0.318 0.000 0.295 75 F C 0.551 176.223 175.800 -0.214 0.000 1.100 75 F CA 3.437 61.291 58.000 -0.243 0.000 1.260 75 F CB 0.460 39.392 39.000 -0.113 0.000 1.009 75 F HN -0.154 7.997 8.300 0.003 0.150 0.476 76 K N -2.741 117.447 120.400 -0.353 0.000 2.283 76 K HA -0.352 3.759 4.320 -0.348 0.000 0.202 76 K C 2.117 178.673 176.600 -0.073 0.000 1.048 76 K CA 3.002 59.141 56.287 -0.246 0.000 0.948 76 K CB -0.579 31.806 32.500 -0.192 0.000 0.742 76 K HN 0.342 8.392 8.250 -0.333 0.000 0.458 77 K N 0.381 120.695 120.400 -0.144 0.000 2.062 77 K HA -0.194 4.094 4.320 -0.054 0.000 0.205 77 K C 1.711 178.253 176.600 -0.097 0.000 1.051 77 K CA 1.966 58.195 56.287 -0.097 0.000 0.941 77 K CB -0.515 31.917 32.500 -0.114 0.000 0.719 77 K HN -0.381 7.651 8.250 -0.188 0.105 0.440 78 A N -0.516 122.188 122.820 -0.194 0.000 1.933 78 A HA -0.194 4.065 4.320 -0.101 0.000 0.218 78 A C 2.154 179.699 177.584 -0.064 0.000 1.175 78 A CA 2.922 54.851 52.037 -0.181 0.000 0.628 78 A CB -0.931 17.797 19.000 -0.454 0.000 0.814 78 A HN -0.170 7.641 8.150 -0.256 0.186 0.444 79 L N -2.483 118.634 121.223 -0.177 0.000 2.042 79 L HA -0.532 3.768 4.340 -0.067 0.000 0.210 79 L C 1.972 178.841 176.870 -0.002 0.000 1.076 79 L CA 3.206 57.955 54.840 -0.151 0.000 0.749 79 L CB -0.568 41.236 42.059 -0.424 0.000 0.893 79 L HN 0.234 8.259 8.230 -0.341 0.000 0.432 80 E N -0.699 119.590 120.200 0.147 0.000 2.097 80 E HA -0.559 3.988 4.350 0.327 0.000 0.196 80 E C 1.964 178.629 176.600 0.109 0.000 1.000 80 E CA 3.464 59.988 56.400 0.207 0.000 0.804 80 E CB -0.247 29.541 29.700 0.147 0.000 0.740 80 E HN -0.472 7.986 8.360 0.163 0.000 0.454 81 E N 0.434 120.675 120.200 0.069 0.000 2.021 81 E HA -0.324 4.059 4.350 0.055 0.000 0.200 81 E C 2.569 179.220 176.600 0.085 0.000 1.015 81 E CA 2.704 59.144 56.400 0.065 0.000 0.824 81 E CB -0.390 29.344 29.700 0.057 0.000 0.762 81 E HN -0.690 7.625 8.360 0.046 0.072 0.454 82 L N -1.592 119.692 121.223 0.102 0.000 2.127 82 L HA -0.379 4.011 4.340 0.084 0.000 0.211 82 L C 2.477 179.417 176.870 0.118 0.000 1.089 82 L CA 3.728 58.627 54.840 0.099 0.000 0.757 82 L CB -0.517 41.604 42.059 0.104 0.000 0.899 82 L HN -0.253 8.045 8.230 0.114 0.000 0.434 83 A N -1.064 121.838 122.820 0.137 0.000 1.877 83 A HA -0.340 4.218 4.320 0.397 0.000 0.216 83 A C 1.787 179.507 177.584 0.226 0.000 1.186 83 A CA 3.267 55.443 52.037 0.231 0.000 0.620 83 A CB -0.523 18.565 19.000 0.147 0.000 0.822 83 A HN 0.382 8.472 8.150 0.100 0.120 0.443 84 T N -5.080 109.558 114.554 0.140 0.000 3.035 84 T HA -0.257 4.163 4.350 0.116 0.000 0.268 84 T C 2.032 176.770 174.700 0.064 0.000 1.109 84 T CA 2.978 65.138 62.100 0.100 0.000 1.119 84 T CB -0.135 68.776 68.868 0.071 0.000 0.900 84 T HN -0.138 8.176 8.240 0.124 0.000 0.503 85 K N -0.213 120.221 120.400 0.055 0.000 2.057 85 K HA -0.211 4.116 4.320 0.012 0.000 0.206 85 K C 2.041 178.620 176.600 -0.035 0.000 1.050 85 K CA 2.669 58.965 56.287 0.014 0.000 0.935 85 K CB -0.041 32.469 32.500 0.017 0.000 0.715 85 K HN -0.344 7.810 8.250 0.076 0.141 0.439 86 R N -2.069 118.391 120.500 -0.067 0.000 2.098 86 R HA 0.002 4.208 4.340 -0.224 0.000 0.203 86 R C 1.549 177.670 176.300 -0.298 0.000 1.166 86 R CA 1.837 57.776 56.100 -0.269 0.000 1.090 86 R CB 1.251 31.245 30.300 -0.511 0.000 0.992 86 R HN -0.712 7.566 8.270 0.013 0.000 0.477 87 F N -2.276 117.675 119.950 0.001 0.000 2.696 87 F HA 0.017 4.546 4.527 0.003 0.000 0.296 87 F C -0.710 175.097 175.800 0.012 0.000 1.181 87 F CA -0.511 57.492 58.000 0.006 0.000 1.411 87 F CB -0.941 38.063 39.000 0.007 0.000 1.014 87 F HN -0.068 8.335 8.300 0.172 0.000 0.512 88 K N -0.486 119.981 120.400 0.112 0.000 2.258 88 K HA -0.159 4.220 4.320 0.099 0.000 0.264 88 K C 0.786 177.423 176.600 0.062 0.000 1.007 88 K CA 0.934 57.269 56.287 0.081 0.000 0.941 88 K CB 0.298 32.825 32.500 0.044 0.000 0.966 88 K HN -0.481 7.693 8.250 0.049 0.105 0.480 89 G N 2.048 110.880 108.800 0.054 0.000 2.284 89 G HA2 -0.254 3.725 3.960 0.031 0.000 0.230 89 G HA3 -0.254 3.728 3.960 0.035 0.000 0.230 89 G C 0.032 174.961 174.900 0.048 0.000 1.021 89 G CA -0.363 44.762 45.100 0.041 0.000 0.619 89 G HN 0.318 8.640 8.290 0.053 0.000 0.510 90 K N 0.997 121.439 120.400 0.070 0.000 2.362 90 K HA 0.129 4.480 4.320 0.052 0.000 0.245 90 K C -0.617 176.015 176.600 0.054 0.000 1.040 90 K CA -0.601 55.726 56.287 0.067 0.000 0.961 90 K CB 1.028 33.586 32.500 0.096 0.000 1.252 90 K HN -0.511 7.701 8.250 0.091 0.093 0.503 91 S N 0.895 116.620 115.700 0.042 0.000 2.549 91 S HA -0.092 4.392 4.470 0.025 0.000 0.286 91 S C 1.505 176.125 174.600 0.035 0.000 1.314 91 S CA -0.073 58.144 58.200 0.030 0.000 1.062 91 S CB 0.656 63.868 63.200 0.020 0.000 0.865 91 S HN 0.337 8.671 8.310 0.041 0.000 0.498 92 K N 8.857 129.273 120.400 0.026 0.000 2.059 92 K HA -0.401 3.947 4.320 0.048 0.000 0.212 92 K C 1.660 178.284 176.600 0.040 0.000 1.050 92 K CA 3.476 59.780 56.287 0.029 0.000 0.927 92 K CB -0.001 32.498 32.500 -0.003 0.000 0.714 92 K HN 0.686 8.946 8.250 0.018 0.000 0.447 93 E N -2.739 117.473 120.200 0.020 0.000 2.051 93 E HA -0.325 4.048 4.350 0.038 0.000 0.192 93 E C 1.737 178.369 176.600 0.053 0.000 0.991 93 E CA 3.072 59.493 56.400 0.034 0.000 0.799 93 E CB -0.924 28.782 29.700 0.011 0.000 0.748 93 E HN 0.030 8.394 8.360 0.007 0.000 0.449 94 E N 0.637 120.848 120.200 0.019 0.000 2.058 94 E HA -0.354 3.980 4.350 -0.027 0.000 0.194 94 E C 2.148 178.693 176.600 -0.091 0.000 0.997 94 E CA 2.776 59.164 56.400 -0.020 0.000 0.801 94 E CB -0.327 29.371 29.700 -0.004 0.000 0.746 94 E HN 0.074 8.446 8.360 0.019 0.000 0.450 95 A N -0.778 122.018 122.820 -0.040 0.000 1.908 95 A HA -0.317 3.850 4.320 -0.256 0.000 0.218 95 A C 1.661 179.145 177.584 -0.167 0.000 1.181 95 A CA 3.316 55.296 52.037 -0.095 0.000 0.627 95 A CB -0.647 18.416 19.000 0.104 0.000 0.818 95 A HN 0.135 8.298 8.150 0.020 0.000 0.445 96 F N -1.104 118.759 119.950 -0.146 0.000 2.084 96 F HA -0.379 4.081 4.527 -0.112 0.000 0.296 96 F C 1.634 177.343 175.800 -0.152 0.000 1.111 96 F CA 3.546 61.471 58.000 -0.125 0.000 1.224 96 F CB 0.399 39.352 39.000 -0.078 0.000 0.991 96 F HN -0.430 7.971 8.300 0.168 0.000 0.471 97 D N -0.657 119.748 120.400 0.009 0.000 2.178 97 D HA -0.377 4.232 4.640 -0.051 0.000 0.201 97 D C 2.264 178.433 176.300 -0.218 0.000 0.980 97 D CA 3.832 57.790 54.000 -0.070 0.000 0.842 97 D CB -0.402 40.400 40.800 0.003 0.000 0.948 97 D HN 0.334 8.778 8.370 0.123 0.000 0.472 98 A N 0.323 122.922 122.820 -0.368 0.000 1.855 98 A HA -0.198 3.918 4.320 -0.340 0.000 0.215 98 A C 1.850 179.099 177.584 -0.558 0.000 1.191 98 A CA 3.057 54.755 52.037 -0.564 0.000 0.613 98 A CB -0.661 17.697 19.000 -1.070 0.000 0.829 98 A HN 0.086 8.003 8.150 -0.351 0.022 0.442 99 I N -2.524 117.655 120.570 -0.652 0.000 2.264 99 I HA -0.455 3.679 4.170 -0.060 0.000 0.248 99 I C 1.203 177.194 176.117 -0.209 0.000 1.111 99 I CA 2.713 63.852 61.300 -0.268 0.000 1.382 99 I CB 0.025 37.935 38.000 -0.151 0.000 1.060 99 I HN -0.605 7.134 8.210 -0.784 0.000 0.418 100 C N -2.068 117.049 119.300 -0.305 0.000 2.425 100 C HA -0.464 3.904 4.460 -0.153 0.000 0.277 100 C C 1.371 176.308 174.990 -0.088 0.000 1.280 100 C CA 4.872 63.770 59.018 -0.200 0.000 1.744 100 C CB 0.013 27.605 27.740 -0.248 0.000 1.989 100 C HN -0.428 7.547 8.230 -0.425 0.000 0.491 101 Q N 0.718 120.454 119.800 -0.107 0.000 2.226 101 Q HA -0.316 4.010 4.340 -0.024 0.000 0.204 101 Q C 1.196 177.186 176.000 -0.017 0.000 0.975 101 Q CA 2.888 58.661 55.803 -0.051 0.000 0.866 101 Q CB -0.319 28.377 28.738 -0.070 0.000 0.915 101 Q HN -0.314 7.662 8.270 -0.171 0.191 0.440 102 L N -4.027 117.185 121.223 -0.018 0.000 2.478 102 L HA -0.174 4.183 4.340 0.029 0.000 0.223 102 L C 1.605 178.489 176.870 0.023 0.000 1.140 102 L CA 1.298 56.150 54.840 0.020 0.000 0.842 102 L CB 0.071 42.161 42.059 0.052 0.000 0.953 102 L HN -0.549 7.515 8.230 -0.056 0.132 0.452 103 V N -0.683 119.245 119.914 0.024 0.000 2.854 103 V HA 0.004 4.156 4.120 0.054 0.000 0.236 103 V C -0.136 176.015 176.094 0.096 0.000 1.157 103 V CA 0.587 62.922 62.300 0.059 0.000 1.187 103 V CB 1.756 33.622 31.823 0.071 0.000 0.949 103 V HN -0.278 7.720 8.190 0.005 0.195 0.488 104 A N -0.953 121.920 122.820 0.089 0.000 2.591 104 A HA -0.434 4.092 4.320 0.142 -0.121 0.244 104 A C 0.402 178.041 177.584 0.091 0.000 1.031 104 A CA 1.991 54.090 52.037 0.104 0.000 0.767 104 A CB -0.532 18.514 19.000 0.078 0.000 0.942 104 A HN 0.060 8.247 8.150 0.061 0.000 0.514 105 G N 4.972 113.834 108.800 0.104 0.000 2.313 105 G HA2 -0.321 3.682 3.960 0.073 0.000 0.215 105 G HA3 -0.321 3.677 3.960 0.064 0.000 0.215 105 G C -0.009 174.938 174.900 0.080 0.000 1.023 105 G CA -0.239 44.909 45.100 0.079 0.000 0.626 105 G HN 0.594 8.961 8.290 0.129 0.000 0.503 106 K N 2.031 122.494 120.400 0.105 0.000 2.102 106 K HA 0.197 4.552 4.320 0.060 0.000 0.244 106 K C -1.094 175.568 176.600 0.103 0.000 1.021 106 K CA -0.002 56.344 56.287 0.099 0.000 0.913 106 K CB 1.163 33.734 32.500 0.119 0.000 1.062 106 K HN -0.499 7.754 8.250 0.121 0.071 0.485 107 E N -1.203 119.004 120.200 0.011 0.000 2.378 107 E HA 0.436 4.648 4.350 -0.229 0.000 0.265 107 E C -2.253 174.123 176.600 -0.373 0.000 0.932 107 E CA -3.312 52.978 56.400 -0.183 0.000 0.795 107 E CB 0.499 30.111 29.700 -0.147 0.000 1.296 107 E HN 0.380 8.748 8.360 0.014 0.000 0.438 108 P HA -0.001 4.152 4.420 -0.688 -0.146 0.244 108 P C -2.049 175.067 177.300 -0.308 0.000 1.723 108 P CA -0.221 62.389 63.100 -0.817 0.000 1.110 108 P CB -2.129 28.895 31.700 -1.126 0.000 1.972 109 A N 0.200 122.934 122.820 -0.143 0.000 2.401 109 A HA 0.056 4.339 4.320 -0.062 0.000 0.313 109 A C -2.033 175.533 177.584 -0.030 0.000 1.013 109 A CA 0.471 52.464 52.037 -0.074 0.000 1.034 109 A CB 1.741 20.694 19.000 -0.079 0.000 1.324 109 A HN 0.051 8.210 8.150 -0.095 -0.065 0.366 110 N N 7.268 125.961 118.700 -0.012 0.000 2.671 110 N HA -0.007 4.735 4.740 0.004 0.000 0.274 110 N C 0.189 175.695 175.510 -0.007 0.000 1.188 110 N CA -0.024 53.024 53.050 -0.002 0.000 1.065 110 N CB -0.793 37.694 38.487 0.001 0.000 1.415 110 N HN 0.412 8.785 8.380 -0.013 0.000 0.511 111 V N -0.575 119.334 119.914 -0.008 0.000 0.588 111 V HA -0.448 3.667 4.120 -0.009 0.000 0.092 111 V C 0.227 176.314 176.094 -0.012 0.000 1.830 111 V CA 2.783 65.078 62.300 -0.009 0.000 3.401 111 V CB -1.257 30.563 31.823 -0.005 0.000 0.689 111 V HN -0.030 8.135 8.190 -0.008 0.020 0.712 112 G N -0.523 108.271 108.800 -0.011 0.000 2.420 112 G HA2 0.133 4.086 3.960 -0.011 0.000 0.284 112 G HA3 0.133 4.087 3.960 -0.009 0.000 0.284 112 G C -1.489 173.402 174.900 -0.016 0.000 1.177 112 G CA -0.728 44.365 45.100 -0.012 0.000 0.841 112 G HN 0.005 8.246 8.290 -0.009 0.044 0.527 113 V N -2.404 117.501 119.914 -0.015 0.000 2.953 113 V HA 0.221 4.326 4.120 -0.026 0.000 0.304 113 V C 0.615 176.705 176.094 -0.007 0.000 1.073 113 V CA -1.220 61.071 62.300 -0.015 0.000 1.064 113 V CB 1.059 32.876 31.823 -0.010 0.000 1.047 113 V HN -0.249 7.934 8.190 -0.012 0.000 0.478 114 T N -0.936 113.616 114.554 -0.003 0.000 2.738 114 T HA 0.022 4.372 4.350 0.000 0.000 0.294 114 T C -0.214 174.494 174.700 0.014 0.000 0.914 114 T CA -0.785 61.318 62.100 0.005 0.000 1.052 114 T CB 0.077 68.949 68.868 0.007 0.000 0.897 114 T HN -0.176 8.060 8.240 -0.007 0.000 0.522 115 K N 7.208 127.613 120.400 0.008 0.000 2.395 115 K HA -0.116 4.210 4.320 0.008 0.000 0.283 115 K C -0.642 175.965 176.600 0.012 0.000 1.068 115 K CA 0.373 56.665 56.287 0.008 0.000 1.039 115 K CB -0.021 32.481 32.500 0.004 0.000 0.924 115 K HN 0.537 8.789 8.250 0.004 0.000 0.468 116 A N 6.014 128.842 122.820 0.015 0.000 2.635 116 A HA 0.151 4.480 4.320 0.015 0.000 0.279 116 A C -1.505 176.084 177.584 0.010 0.000 1.122 116 A CA -0.018 52.029 52.037 0.017 0.000 0.965 116 A CB 0.501 19.519 19.000 0.030 0.000 1.221 116 A HN 0.599 8.757 8.150 0.014 0.000 0.566 117 K N -0.391 120.012 120.400 0.005 0.000 2.307 117 K HA -0.141 4.179 4.320 -0.000 0.000 0.285 117 K C -0.823 175.778 176.600 0.002 0.000 1.073 117 K CA 0.817 57.105 56.287 0.001 0.000 0.996 117 K CB -1.232 31.268 32.500 -0.000 0.000 0.994 117 K HN -0.216 8.037 8.250 0.006 0.000 0.452 118 T N 3.582 118.137 114.554 0.002 0.000 3.492 118 T HA -0.043 4.307 4.350 0.001 0.000 0.274 118 T C 0.304 175.005 174.700 0.002 0.000 0.885 118 T CA 0.872 62.973 62.100 0.002 0.000 0.776 118 T CB 0.982 69.852 68.868 0.003 0.000 1.197 118 T HN 0.002 8.242 8.240 0.001 0.000 0.832 119 G N 4.107 112.908 108.800 0.003 0.000 2.367 119 G HA2 0.056 4.018 3.960 0.004 0.000 0.280 119 G HA3 0.056 4.018 3.960 0.004 0.000 0.280 119 G C -0.300 174.600 174.900 -0.000 0.000 1.175 119 G CA 0.036 45.137 45.100 0.003 0.000 1.001 119 G HN -0.536 7.756 8.290 0.004 0.000 0.437 120 G N 1.973 110.774 108.800 0.000 0.000 2.327 120 G HA2 -0.161 3.799 3.960 -0.002 0.000 0.278 120 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.278 120 G C -0.613 174.285 174.900 -0.002 0.000 1.145 120 G CA -0.244 44.855 45.100 -0.001 0.000 1.097 120 G HN 0.195 8.486 8.290 0.002 0.000 0.430 121 A N 4.959 127.776 122.820 -0.004 0.000 2.507 121 A HA 0.286 4.602 4.320 -0.006 0.000 0.270 121 A C -0.052 177.529 177.584 -0.005 0.000 1.318 121 A CA -0.474 51.559 52.037 -0.006 0.000 0.924 121 A CB 0.553 19.546 19.000 -0.011 0.000 1.061 121 A HN 0.097 8.244 8.150 -0.005 0.000 0.516 122 V N -5.998 113.915 119.914 -0.003 0.000 3.620 122 V HA 0.030 4.150 4.120 -0.001 0.000 0.286 122 V C -0.041 176.052 176.094 -0.002 0.000 1.288 122 V CA -0.172 62.127 62.300 -0.002 0.000 1.178 122 V CB -0.511 31.311 31.823 -0.001 0.000 0.986 122 V HN -0.518 7.583 8.190 -0.003 0.088 0.431 123 D N 2.938 123.336 120.400 -0.004 0.000 2.395 123 D HA -0.064 4.574 4.640 -0.003 0.000 0.250 123 D C -0.589 175.707 176.300 -0.007 0.000 1.203 123 D CA 0.648 54.645 54.000 -0.005 0.000 0.872 123 D CB -1.468 39.328 40.800 -0.006 0.000 0.941 123 D HN 0.365 8.627 8.370 -0.004 0.105 0.504 124 R N 0.605 121.102 120.500 -0.004 0.000 2.824 124 R HA -0.210 4.125 4.340 -0.008 0.000 0.240 124 R C 0.022 176.321 176.300 -0.003 0.000 1.548 124 R CA 0.477 56.575 56.100 -0.003 0.000 1.119 124 R CB -1.177 29.126 30.300 0.005 0.000 1.189 124 R HN -0.378 7.756 8.270 -0.002 0.135 0.596 125 L N 4.929 126.147 121.223 -0.008 0.000 2.653 125 L HA 0.236 4.574 4.340 -0.002 0.000 0.231 125 L C 0.500 177.366 176.870 -0.006 0.000 1.153 125 L CA -1.114 53.723 54.840 -0.005 0.000 0.933 125 L CB 0.092 42.148 42.059 -0.006 0.000 1.175 125 L HN 0.143 8.344 8.230 -0.013 0.021 0.473 126 T N -3.597 110.953 114.554 -0.007 0.000 12.380 126 T HA -0.598 3.751 4.350 -0.002 0.000 0.415 126 T C 0.410 175.096 174.700 -0.023 0.000 1.471 126 T CA 3.618 65.714 62.100 -0.006 0.000 2.420 126 T CB -2.186 66.685 68.868 0.005 0.000 2.818 126 T HN 0.059 8.200 8.240 -0.007 0.095 0.798 127 D N 2.403 122.791 120.400 -0.019 0.000 2.158 127 D HA -0.244 4.385 4.640 -0.019 0.000 0.197 127 D C 0.307 176.578 176.300 -0.047 0.000 0.995 127 D CA 2.433 56.420 54.000 -0.023 0.000 0.846 127 D CB -0.226 40.568 40.800 -0.010 0.000 0.941 127 D HN -0.070 8.211 8.370 -0.011 0.082 0.456 128 T N -4.175 110.347 114.554 -0.053 0.000 2.765 128 T HA -0.101 4.212 4.350 -0.061 0.000 0.284 128 T C 1.058 175.661 174.700 -0.161 0.000 0.946 128 T CA 0.709 62.763 62.100 -0.078 0.000 1.185 128 T CB 0.075 68.909 68.868 -0.057 0.000 0.887 128 T HN -0.449 7.746 8.240 -0.038 0.021 0.532 129 S N 7.993 123.575 115.700 -0.197 0.000 2.557 129 S HA -0.640 3.647 4.470 -0.306 0.000 0.240 129 S C 0.641 174.990 174.600 -0.419 0.000 1.210 129 S CA 2.405 60.378 58.200 -0.378 0.000 2.526 129 S CB -0.405 62.426 63.200 -0.614 0.000 1.373 129 S HN 0.638 8.871 8.310 -0.128 0.000 0.497 130 R N -2.900 117.355 120.500 -0.407 0.000 3.928 130 R HA -0.566 3.795 4.340 -0.094 -0.078 0.417 130 R C 0.212 176.460 176.300 -0.086 0.000 0.647 130 R CA 2.194 58.183 56.100 -0.184 0.000 1.610 130 R CB -1.129 29.120 30.300 -0.086 0.000 2.164 130 R HN 0.081 8.056 8.270 -0.418 0.044 0.406 131 Y N -6.815 113.459 120.300 -0.043 0.000 2.715 131 Y HA -0.493 4.015 4.550 -0.069 0.000 0.479 131 Y C 0.777 176.655 175.900 -0.035 0.000 1.061 131 Y CA 2.920 60.991 58.100 -0.047 0.000 2.996 131 Y CB -2.256 36.185 38.460 -0.031 0.000 1.057 131 Y HN -0.187 7.578 8.280 -0.619 0.144 0.597 132 T N 2.612 117.273 114.554 0.177 0.000 2.978 132 T HA -0.169 4.227 4.350 0.076 0.000 0.278 132 T C -0.288 174.446 174.700 0.057 0.000 0.945 132 T CA 1.965 64.119 62.100 0.089 0.000 1.070 132 T CB -1.143 67.768 68.868 0.073 0.000 0.948 132 T HN -0.113 8.268 8.240 0.253 0.011 0.617 133 G N 5.468 114.294 108.800 0.043 0.000 2.624 133 G HA2 -0.188 3.794 3.960 0.037 0.000 0.190 133 G HA3 -0.188 3.790 3.960 0.031 0.000 0.190 133 G C -0.624 174.298 174.900 0.037 0.000 1.008 133 G CA 0.123 45.244 45.100 0.035 0.000 0.731 133 G HN -0.275 8.041 8.290 0.044 0.000 0.478 134 S N 2.107 117.818 115.700 0.019 0.000 2.288 134 S HA -0.104 4.411 4.470 0.074 0.000 0.191 134 S C -0.284 174.400 174.600 0.139 0.000 1.028 134 S CA 0.947 59.173 58.200 0.043 0.000 1.030 134 S CB 1.165 64.326 63.200 -0.066 0.000 0.932 134 S HN -0.425 7.886 8.310 0.000 0.000 0.463 135 H N -0.127 118.952 119.070 0.015 0.000 3.114 135 H HA 0.213 4.786 4.556 0.027 0.000 0.325 135 H C -2.285 173.065 175.328 0.036 0.000 1.206 135 H CA -0.377 55.685 56.048 0.024 0.000 1.316 135 H CB 0.834 30.606 29.762 0.017 0.000 1.981 135 H HN 0.143 8.288 8.280 -0.225 0.000 0.527 136 K N 2.985 123.455 120.400 0.118 0.000 2.340 136 K HA 0.235 4.577 4.320 0.036 0.000 0.244 136 K C -0.637 176.043 176.600 0.133 0.000 0.973 136 K CA -0.860 55.478 56.287 0.084 0.000 0.828 136 K CB 2.244 34.781 32.500 0.062 0.000 1.226 136 K HN 0.154 8.494 8.250 0.151 0.000 0.437 137 E N 1.660 121.930 120.200 0.116 0.000 2.415 137 E HA -0.148 4.272 4.350 0.117 0.000 0.260 137 E C 0.251 176.914 176.600 0.105 0.000 1.016 137 E CA 0.432 56.897 56.400 0.108 0.000 0.924 137 E CB -0.041 29.713 29.700 0.090 0.000 0.961 137 E HN 0.226 8.644 8.360 0.097 0.000 0.459 138 R N 4.149 124.706 120.500 0.095 0.000 2.641 138 R HA -0.019 4.396 4.340 0.125 0.000 0.269 138 R C 0.906 177.284 176.300 0.130 0.000 1.074 138 R CA -0.388 55.777 56.100 0.109 0.000 1.133 138 R CB 0.983 31.331 30.300 0.080 0.000 1.029 138 R HN 0.224 8.544 8.270 0.084 0.000 0.488 139 F N 4.723 124.687 119.950 0.023 0.000 2.650 139 F HA -0.101 4.438 4.527 0.020 0.000 0.338 139 F C -1.193 174.616 175.800 0.015 0.000 1.311 139 F CA 0.519 58.530 58.000 0.019 0.000 1.106 139 F CB -0.538 38.472 39.000 0.016 0.000 1.500 139 F HN 0.555 9.025 8.300 0.284 0.000 0.670 140 D N 4.787 125.005 120.400 -0.302 0.000 2.650 140 D HA 0.261 4.659 4.640 -0.404 0.000 0.265 140 D C -0.062 176.035 176.300 -0.338 0.000 1.339 140 D CA -0.173 53.634 54.000 -0.323 0.000 0.816 140 D CB 0.461 41.180 40.800 -0.135 0.000 1.091 140 D HN 0.064 8.298 8.370 -0.157 0.042 0.483 141 E N 0.530 120.451 120.200 -0.465 0.000 2.216 141 E HA -0.149 4.103 4.350 -0.163 0.000 0.192 141 E C 1.395 177.839 176.600 -0.260 0.000 0.988 141 E CA 2.229 58.467 56.400 -0.271 0.000 0.834 141 E CB -0.176 29.433 29.700 -0.152 0.000 0.772 141 E HN 0.349 8.220 8.360 -0.701 0.069 0.479 142 S N -0.970 114.477 115.700 -0.421 0.000 2.348 142 S HA -0.065 4.328 4.470 -0.127 0.000 0.219 142 S C 0.612 175.116 174.600 -0.160 0.000 1.033 142 S CA 0.675 58.738 58.200 -0.228 0.000 0.974 142 S CB 0.277 63.360 63.200 -0.195 0.000 0.868 142 S HN -0.325 7.489 8.310 -0.790 0.022 0.459 143 G N 1.688 110.374 108.800 -0.190 0.000 3.161 143 G HA2 0.195 4.106 3.960 -0.082 0.000 0.328 143 G HA3 0.195 4.096 3.960 -0.098 0.000 0.328 143 G C -0.958 173.880 174.900 -0.103 0.000 1.037 143 G CA -0.642 44.390 45.100 -0.113 0.000 1.416 143 G HN 0.069 8.186 8.290 -0.289 0.000 0.486 144 K N 2.277 122.625 120.400 -0.087 0.000 2.210 144 K HA 0.175 4.452 4.320 -0.071 0.000 0.236 144 K C 0.311 176.881 176.600 -0.051 0.000 1.016 144 K CA -1.200 55.045 56.287 -0.069 0.000 0.913 144 K CB 2.252 34.712 32.500 -0.067 0.000 1.141 144 K HN -0.433 7.767 8.250 -0.083 0.000 0.462 145 G N 0.450 109.223 108.800 -0.044 0.000 2.351 145 G HA2 0.115 4.055 3.960 -0.033 0.000 0.287 145 G HA3 0.115 4.245 3.960 -0.033 -0.190 0.287 145 G C -0.900 173.980 174.900 -0.035 0.000 1.159 145 G CA -0.507 44.572 45.100 -0.036 0.000 0.929 145 G HN 0.201 8.464 8.290 -0.045 0.000 0.435 146 K N 6.112 126.493 120.400 -0.032 0.000 2.351 146 K HA -0.218 4.082 4.320 -0.034 0.000 0.287 146 K C 0.577 177.159 176.600 -0.029 0.000 1.068 146 K CA 0.408 56.677 56.287 -0.030 0.000 0.998 146 K CB -0.341 32.142 32.500 -0.027 0.000 0.968 146 K HN 0.280 8.512 8.250 -0.030 0.000 0.464 147 G N 3.485 112.266 108.800 -0.032 0.000 2.225 147 G HA2 -0.340 3.600 3.960 -0.034 0.000 0.264 147 G HA3 -0.340 3.604 3.960 -0.027 0.000 0.264 147 G C -0.002 174.881 174.900 -0.029 0.000 1.060 147 G CA -0.094 44.988 45.100 -0.030 0.000 0.833 147 G HN 0.508 8.777 8.290 -0.035 0.000 0.498 148 I N -3.389 117.162 120.570 -0.032 0.000 4.764 148 I HA -0.771 3.380 4.170 -0.032 0.000 0.043 148 I C -0.734 175.368 176.117 -0.025 0.000 0.630 148 I CA 3.813 65.095 61.300 -0.030 0.000 0.615 148 I CB -1.319 36.663 38.000 -0.029 0.000 0.591 148 I HN -0.088 8.101 8.210 -0.035 0.000 0.155 149 A N -1.225 121.582 122.820 -0.021 0.000 1.687 149 A HA 0.320 4.629 4.320 -0.018 0.000 0.158 149 A C 0.070 177.645 177.584 -0.015 0.000 1.516 149 A CA 0.516 52.542 52.037 -0.017 0.000 1.427 149 A CB 1.046 20.037 19.000 -0.015 0.000 1.263 149 A HN 0.203 8.302 8.150 -0.021 0.039 0.837 150 G N -0.460 108.332 108.800 -0.013 0.000 3.820 150 G HA2 0.258 4.212 3.960 -0.011 0.000 0.293 150 G HA3 0.258 4.213 3.960 -0.008 0.000 0.293 150 G C -0.085 174.808 174.900 -0.011 0.000 1.152 150 G CA -0.836 44.258 45.100 -0.011 0.000 0.921 150 G HN 0.175 8.457 8.290 -0.013 0.000 0.544 151 R N -0.804 119.687 120.500 -0.015 0.000 1.680 151 R HA -0.546 3.852 4.340 -0.020 -0.069 0.092 151 R C -1.260 175.030 176.300 -0.016 0.000 0.930 151 R CA 2.101 58.191 56.100 -0.017 0.000 1.943 151 R CB -0.966 29.325 30.300 -0.014 0.000 0.490 151 R HN -0.267 7.917 8.270 -0.017 0.075 0.707 152 Q N -1.242 118.551 119.800 -0.011 0.000 2.527 152 Q HA -0.325 4.013 4.340 -0.004 0.000 0.239 152 Q C -1.466 174.528 176.000 -0.010 0.000 1.336 152 Q CA 0.804 56.602 55.803 -0.008 0.000 0.764 152 Q CB -0.884 27.849 28.738 -0.009 0.000 0.859 152 Q HN 0.093 8.287 8.270 -0.009 0.071 0.306 153 D N 2.799 123.195 120.400 -0.007 0.000 3.061 153 D HA -0.015 4.620 4.640 -0.009 0.000 0.243 153 D C 0.221 176.520 176.300 -0.001 0.000 1.572 153 D CA -0.315 53.681 54.000 -0.006 0.000 1.269 153 D CB 0.797 41.593 40.800 -0.008 0.000 1.023 153 D HN 0.032 8.399 8.370 -0.005 0.000 0.280 154 I N -3.966 116.605 120.570 0.001 0.000 2.569 154 I HA 0.271 4.447 4.170 0.009 0.000 0.290 154 I C -0.669 175.451 176.117 0.005 0.000 1.088 154 I CA -0.628 60.675 61.300 0.005 0.000 1.047 154 I CB 1.971 39.972 38.000 0.002 0.000 1.237 154 I HN -0.353 7.856 8.210 -0.002 0.000 0.421 155 L N 4.477 125.708 121.223 0.013 0.000 3.062 155 L HA 0.250 4.595 4.340 0.009 0.000 0.255 155 L C -0.713 176.162 176.870 0.010 0.000 1.274 155 L CA -1.281 53.570 54.840 0.018 0.000 1.047 155 L CB -0.129 41.953 42.059 0.038 0.000 1.402 155 L HN 0.124 8.365 8.230 0.019 0.000 0.550 156 D N 0.004 120.400 120.400 -0.008 0.000 2.458 156 D HA -0.160 4.470 4.640 -0.017 0.000 0.243 156 D C -0.320 175.927 176.300 -0.088 0.000 1.146 156 D CA 0.604 54.584 54.000 -0.032 0.000 0.877 156 D CB 0.824 41.609 40.800 -0.024 0.000 1.176 156 D HN -0.425 7.865 8.370 -0.005 0.077 0.461 157 D N 1.133 121.426 120.400 -0.179 0.000 2.414 157 D HA 0.116 4.634 4.640 -0.203 0.000 0.241 157 D C 0.849 176.991 176.300 -0.263 0.000 1.008 157 D CA -1.194 52.628 54.000 -0.297 0.000 1.001 157 D CB 1.781 42.191 40.800 -0.648 0.000 1.277 157 D HN -0.147 8.121 8.370 -0.170 0.000 0.538 158 S N 0.171 115.733 115.700 -0.230 0.000 2.419 158 S HA -0.170 4.234 4.470 -0.110 0.000 0.235 158 S C 0.748 175.255 174.600 -0.154 0.000 1.019 158 S CA 1.538 59.647 58.200 -0.153 0.000 0.982 158 S CB 0.569 63.701 63.200 -0.114 0.000 0.789 158 S HN 0.269 8.444 8.310 -0.224 0.000 0.490 159 G N -0.455 108.184 108.800 -0.269 0.000 2.456 159 G HA2 -0.202 3.693 3.960 -0.107 0.000 0.208 159 G HA3 -0.202 3.731 3.960 -0.044 0.000 0.208 159 G C -1.718 173.178 174.900 -0.007 0.000 1.004 159 G CA -0.368 44.651 45.100 -0.134 0.000 0.791 159 G HN -0.504 7.807 8.290 -0.458 -0.296 0.537 160 Y N -2.673 117.630 120.300 0.004 0.000 2.798 160 Y HA -0.510 4.043 4.550 0.004 0.000 0.088 160 Y C -1.190 174.712 175.900 0.003 0.000 1.901 160 Y CA 0.747 58.850 58.100 0.005 0.000 1.157 160 Y CB -2.032 36.434 38.460 0.010 0.000 1.804 160 Y HN -0.122 8.187 8.280 -0.484 -0.320 0.304 161 V N 4.071 124.044 119.914 0.098 0.000 2.407 161 V HA 0.074 4.226 4.120 0.054 0.000 0.278 161 V C 0.317 176.444 176.094 0.055 0.000 1.037 161 V CA 0.021 62.353 62.300 0.054 0.000 0.900 161 V CB 0.346 32.174 31.823 0.009 0.000 0.983 161 V HN 0.041 8.273 8.190 0.069 0.000 0.459 162 S N 7.694 123.420 115.700 0.043 0.000 2.489 162 S HA 0.162 4.659 4.470 0.046 0.000 0.291 162 S C -0.134 174.484 174.600 0.029 0.000 1.151 162 S CA -1.020 57.203 58.200 0.038 0.000 1.082 162 S CB 1.522 64.739 63.200 0.030 0.000 1.019 162 S HN 0.143 8.476 8.310 0.038 0.000 0.492 163 A N 5.425 128.283 122.820 0.062 0.000 2.505 163 A HA -0.008 4.343 4.320 0.052 0.000 0.271 163 A C -0.490 177.236 177.584 0.236 0.000 1.112 163 A CA 0.511 52.628 52.037 0.133 0.000 0.781 163 A CB -0.273 18.844 19.000 0.196 0.000 1.059 163 A HN 0.358 8.545 8.150 0.062 0.000 0.508 164 Y N -2.698 117.587 120.300 -0.025 0.000 4.324 164 Y HA -0.588 3.946 4.550 -0.027 0.000 0.224 164 Y C -0.656 175.209 175.900 -0.058 0.000 1.113 164 Y CA 0.760 58.839 58.100 -0.034 0.000 1.887 164 Y CB -2.494 35.946 38.460 -0.033 0.000 1.602 164 Y HN 0.403 8.569 8.280 -0.190 0.000 0.654 165 K N -5.763 114.656 120.400 0.032 0.000 1.462 165 K HA -0.560 3.738 4.320 -0.038 0.000 0.669 165 K C 0.903 177.444 176.600 -0.098 0.000 1.902 165 K CA 0.725 56.986 56.287 -0.045 0.000 1.050 165 K CB -0.670 31.784 32.500 -0.076 0.000 1.861 165 K HN -0.623 7.599 8.250 0.018 0.039 0.563 166 N N -2.275 116.261 118.700 -0.273 0.000 3.841 166 N HA -0.518 3.835 4.740 -0.645 0.000 0.224 166 N C 0.592 176.005 175.510 -0.162 0.000 0.190 166 N CA 2.055 54.904 53.050 -0.335 0.000 3.178 166 N CB -0.853 37.506 38.487 -0.212 0.000 1.264 166 N HN 0.398 8.554 8.380 -0.373 0.000 0.308 167 A N 0.427 123.202 122.820 -0.075 0.000 2.071 167 A HA -0.365 3.948 4.320 -0.012 0.000 0.352 167 A C -0.611 176.961 177.584 -0.021 0.000 1.707 167 A CA 2.073 54.093 52.037 -0.028 0.000 1.053 167 A CB -1.082 17.912 19.000 -0.010 0.000 1.473 167 A HN 0.319 8.398 8.150 -0.062 0.034 0.701 168 G N 0.328 109.121 108.800 -0.011 0.000 3.191 168 G HA2 0.229 4.191 3.960 0.004 0.000 0.309 168 G HA3 0.229 4.195 3.960 0.010 0.000 0.309 168 G C -1.543 173.382 174.900 0.041 0.000 1.596 168 G CA -0.016 45.090 45.100 0.009 0.000 0.955 168 G HN -0.169 8.096 8.290 -0.011 0.019 0.508 169 T N 0.116 114.706 114.554 0.060 0.000 3.803 169 T HA -0.616 3.856 4.350 0.204 0.000 0.376 169 T C -0.195 174.683 174.700 0.296 0.000 0.761 169 T CA 0.573 62.771 62.100 0.164 0.000 1.962 169 T CB -1.285 67.653 68.868 0.117 0.000 1.780 169 T HN -0.064 8.194 8.240 0.030 0.000 0.771 170 Y N -1.782 118.523 120.300 0.009 0.000 2.498 170 Y HA -0.412 4.195 4.550 0.017 -0.046 0.185 170 Y C -0.531 175.372 175.900 0.005 0.000 1.692 170 Y CA 1.007 59.113 58.100 0.011 0.000 1.425 170 Y CB -0.544 37.921 38.460 0.009 0.000 2.071 170 Y HN -0.469 7.793 8.280 -0.031 0.000 0.253 171 D N 1.405 121.918 120.400 0.187 0.000 2.541 171 D HA -0.067 4.606 4.640 0.055 0.000 0.231 171 D C -0.423 175.910 176.300 0.054 0.000 1.163 171 D CA 0.216 54.270 54.000 0.089 0.000 1.077 171 D CB -1.686 39.167 40.800 0.089 0.000 1.110 171 D HN 0.220 8.757 8.370 0.277 0.000 0.499 172 A N 2.971 125.814 122.820 0.038 0.000 3.026 172 A HA -0.019 4.308 4.320 0.013 0.000 0.272 172 A C -0.422 177.138 177.584 -0.040 0.000 1.782 172 A CA -1.032 51.010 52.037 0.008 0.000 1.451 172 A CB -0.878 18.131 19.000 0.016 0.000 1.081 172 A HN 0.205 8.340 8.150 0.047 0.044 0.611 173 K N 5.130 125.488 120.400 -0.069 0.000 2.307 173 K HA -0.176 4.020 4.320 -0.206 0.000 0.285 173 K C -0.204 176.324 176.600 -0.120 0.000 1.073 173 K CA 0.485 56.679 56.287 -0.154 0.000 0.996 173 K CB -0.868 31.515 32.500 -0.195 0.000 0.994 173 K HN -0.295 7.882 8.250 -0.043 0.047 0.452 174 V N -3.847 115.999 119.914 -0.114 0.000 4.075 174 V HA -0.448 3.634 4.120 -0.063 0.000 0.218 174 V C -1.062 175.004 176.094 -0.046 0.000 0.527 174 V CA 0.809 63.065 62.300 -0.074 0.000 0.911 174 V CB -1.701 30.078 31.823 -0.074 0.000 0.963 174 V HN 0.349 8.460 8.190 -0.132 0.000 1.147 175 K N 1.505 121.882 120.400 -0.039 0.000 2.110 175 K HA -0.217 4.089 4.320 -0.022 0.000 0.260 175 K C 0.288 176.879 176.600 -0.016 0.000 1.126 175 K CA 0.205 56.478 56.287 -0.023 0.000 1.005 175 K CB -0.708 31.783 32.500 -0.015 0.000 1.336 175 K HN -0.736 7.366 8.250 -0.044 0.122 0.369 176 K N -0.201 120.190 120.400 -0.015 0.000 11.238 176 K HA -0.509 3.805 4.320 -0.011 0.000 0.527 176 K C -0.045 176.549 176.600 -0.011 0.000 0.396 176 K CA 2.394 58.674 56.287 -0.011 0.000 1.912 176 K CB -1.865 30.631 32.500 -0.008 0.000 0.792 176 K HN 0.067 8.282 8.250 -0.017 0.024 1.257 177 L N 3.382 124.600 121.223 -0.009 0.000 2.369 177 L HA -0.037 4.299 4.340 -0.007 0.000 0.279 177 L C -0.580 176.284 176.870 -0.011 0.000 1.108 177 L CA 0.183 55.019 54.840 -0.007 0.000 0.852 177 L CB -0.342 41.715 42.059 -0.003 0.000 1.169 177 L HN 0.004 8.204 8.230 -0.007 0.025 0.452 178 E N 0.000 120.193 120.200 -0.012 0.000 2.725 178 E HA 0.000 4.339 4.350 -0.018 0.000 0.291 178 E CA 0.000 56.391 56.400 -0.016 0.000 0.976 178 E CB 0.000 29.687 29.700 -0.022 0.000 0.812 178 E HN 0.000 8.354 8.360 -0.010 0.000 0.440