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 2hr9_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIIYRDLISH DEMFSDIYKI REIADGLCLE VEGKMVSRTE GNIDDSLIGG DATA SEQUENCE NASAEGPEGE GTESTVITGV DIVMNHHLQE TSFTKEAYKK YIKDYMKSIK DATA SEQUENCE GKLEEQRPER VKPFMTGAAE QIKHILANFK NYQFFIGENM NPDGMVALLD DATA SEQUENCE YREDGVTPYM IFFKDGLEME KCLE 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 4.482 4.480 0.004 0.000 0.227 1 M C 0.000 176.297 176.300 -0.004 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 1 M CB 0.000 32.597 32.600 -0.004 0.000 1.302 2 I N 1.476 122.055 120.570 0.015 0.000 2.525 2 I HA 0.432 4.723 4.170 -0.048 -0.149 0.301 2 I C -2.434 173.697 176.117 0.023 0.000 0.992 2 I CA -1.849 59.444 61.300 -0.013 0.000 1.162 2 I CB 3.091 41.068 38.000 -0.039 0.000 1.332 2 I HN 0.102 8.337 8.210 0.041 0.000 0.458 3 I N 5.339 125.868 120.570 -0.069 0.000 2.707 3 I HA 0.193 4.374 4.170 0.017 0.000 0.309 3 I C -1.585 174.393 176.117 -0.232 0.000 1.001 3 I CA -3.025 58.231 61.300 -0.073 0.000 1.129 3 I CB 1.489 39.426 38.000 -0.104 0.000 1.308 3 I HN 0.540 8.558 8.210 -0.119 0.121 0.466 4 Y N 2.402 122.305 120.300 -0.662 0.000 2.447 4 Y HA 0.447 4.795 4.550 -0.601 -0.159 0.325 4 Y C -1.313 174.153 175.900 -0.724 0.000 0.976 4 Y CA -1.749 55.785 58.100 -0.942 0.000 1.280 4 Y CB 0.839 37.944 38.460 -2.259 0.000 1.104 4 Y HN 1.159 9.150 8.280 -0.313 0.102 0.486 5 R N 1.262 121.587 120.500 -0.292 0.000 2.711 5 R HA 0.674 5.139 4.340 -0.147 -0.213 0.284 5 R C -0.935 175.341 176.300 -0.039 0.000 0.968 5 R CA -2.993 53.025 56.100 -0.137 0.000 0.924 5 R CB 3.334 33.595 30.300 -0.065 0.000 1.162 5 R HN 0.730 8.825 8.270 -0.292 0.000 0.465 6 D N 0.624 121.039 120.400 0.025 0.000 2.419 6 D HA -0.191 4.616 4.640 0.098 -0.108 0.236 6 D C 0.228 176.567 176.300 0.065 0.000 1.165 6 D CA 1.219 55.261 54.000 0.070 0.000 0.882 6 D CB 1.616 42.467 40.800 0.083 0.000 1.201 6 D HN -0.131 8.254 8.370 0.024 0.000 0.443 7 L N 1.987 123.242 121.223 0.053 0.000 2.418 7 L HA -0.061 4.366 4.340 0.145 0.000 0.218 7 L C 0.363 177.142 176.870 -0.153 0.000 1.125 7 L CA 1.362 56.221 54.840 0.032 0.000 0.835 7 L CB 0.476 42.550 42.059 0.024 0.000 0.953 7 L HN 0.071 8.260 8.230 0.077 0.087 0.454 8 I N -4.048 116.440 120.570 -0.136 0.000 2.556 8 I HA -0.259 3.791 4.170 -0.200 0.000 0.251 8 I C 1.220 177.158 176.117 -0.298 0.000 1.105 8 I CA 2.663 63.855 61.300 -0.180 0.000 1.436 8 I CB 0.063 38.044 38.000 -0.032 0.000 1.139 8 I HN -0.040 8.481 8.210 -0.039 -0.334 0.438 9 S N -3.499 112.093 115.700 -0.180 0.000 2.503 9 S HA 0.005 4.402 4.470 -0.121 0.000 0.215 9 S C -0.313 174.251 174.600 -0.062 0.000 1.003 9 S CA 0.265 58.398 58.200 -0.111 0.000 0.910 9 S CB 1.142 64.344 63.200 0.002 0.000 0.790 9 S HN -0.623 7.819 8.310 -0.090 -0.185 0.514 10 H N -1.977 117.099 119.070 0.011 0.000 2.899 10 H HA -0.379 4.346 4.556 -0.030 -0.187 0.282 10 H C -2.289 173.027 175.328 -0.021 0.000 1.198 10 H CA 0.339 56.378 56.048 -0.015 0.000 1.140 10 H CB -1.362 28.390 29.762 -0.018 0.000 1.317 10 H HN -0.500 7.613 8.280 -0.127 0.091 0.375 11 D N -1.386 119.064 120.400 0.084 0.000 2.280 11 D HA 0.083 4.749 4.640 0.044 0.000 0.236 11 D C -0.509 175.793 176.300 0.004 0.000 1.082 11 D CA -0.986 53.043 54.000 0.048 0.000 0.834 11 D CB 0.957 41.792 40.800 0.059 0.000 1.100 11 D HN -0.267 8.119 8.370 0.068 0.025 0.486 12 E N 5.013 125.193 120.200 -0.034 0.000 2.175 12 E HA -0.230 4.154 4.350 -0.174 -0.139 0.247 12 E C -0.650 175.872 176.600 -0.130 0.000 1.259 12 E CA 0.529 56.860 56.400 -0.115 0.000 0.969 12 E CB -2.196 27.444 29.700 -0.100 0.000 1.051 12 E HN 0.480 8.830 8.360 -0.016 0.000 0.448 13 M N 2.343 121.856 119.600 -0.144 0.000 2.394 13 M HA -0.321 4.195 4.480 0.059 0.000 0.264 13 M C -1.254 174.938 176.300 -0.181 0.000 1.073 13 M CA 2.989 58.271 55.300 -0.031 0.000 1.111 13 M CB 0.859 33.496 32.600 0.063 0.000 1.401 13 M HN 0.149 8.329 8.290 -0.183 0.000 0.448 14 F N -10.776 108.791 119.950 -0.638 0.000 2.978 14 F HA 0.353 3.898 4.527 -1.637 0.000 0.324 14 F C -3.024 172.635 175.800 -0.235 0.000 1.157 14 F CA -1.774 55.784 58.000 -0.737 0.000 0.879 14 F CB -0.091 38.621 39.000 -0.480 0.000 1.364 14 F HN -0.513 7.422 8.300 -0.537 0.042 0.465 15 S N -1.601 114.116 115.700 0.029 0.000 2.851 15 S HA 0.132 4.602 4.470 -0.000 0.000 0.317 15 S C -1.409 173.213 174.600 0.035 0.000 1.144 15 S CA -1.091 57.125 58.200 0.026 0.000 0.862 15 S CB 2.414 65.666 63.200 0.087 0.000 1.259 15 S HN -0.110 8.452 8.310 0.419 0.000 0.564 16 D N 0.115 120.569 120.400 0.089 0.000 2.395 16 D HA 0.112 4.763 4.640 0.019 0.000 0.226 16 D C 0.604 176.905 176.300 0.001 0.000 1.146 16 D CA 0.133 54.182 54.000 0.081 0.000 0.830 16 D CB 0.228 41.140 40.800 0.186 0.000 0.958 16 D HN 0.148 8.582 8.370 0.107 0.000 0.501 17 I N -6.720 113.788 120.570 -0.103 0.000 3.578 17 I HA -0.026 4.043 4.170 -0.169 0.000 0.295 17 I C -1.237 174.634 176.117 -0.409 0.000 1.280 17 I CA 0.064 61.188 61.300 -0.294 0.000 1.347 17 I CB -0.534 37.194 38.000 -0.453 0.000 1.051 17 I HN -0.516 7.556 8.210 -0.061 0.102 0.460 18 Y N -1.630 118.700 120.300 0.049 0.000 2.654 18 Y HA 0.136 4.702 4.550 0.026 0.000 0.327 18 Y C -0.066 175.842 175.900 0.014 0.000 1.122 18 Y CA -1.589 56.531 58.100 0.033 0.000 1.227 18 Y CB 1.897 40.386 38.460 0.048 0.000 1.370 18 Y HN -0.978 7.277 8.280 0.048 0.054 0.528 19 K N 0.693 121.207 120.400 0.190 0.000 2.183 19 K HA 0.116 4.482 4.320 0.077 0.000 0.272 19 K C -0.998 175.643 176.600 0.068 0.000 1.113 19 K CA -0.508 55.835 56.287 0.093 0.000 0.949 19 K CB -1.620 30.916 32.500 0.060 0.000 1.365 19 K HN 0.358 8.750 8.250 0.237 0.000 0.420 20 I N 4.555 125.164 120.570 0.064 0.000 2.371 20 I HA 0.148 4.558 4.170 0.021 -0.228 0.290 20 I C 0.047 176.200 176.117 0.059 0.000 1.028 20 I CA -0.165 61.162 61.300 0.045 0.000 1.345 20 I CB 0.640 38.657 38.000 0.028 0.000 1.407 20 I HN -0.365 7.888 8.210 0.072 0.000 0.501 21 R N 7.557 128.087 120.500 0.050 0.000 2.439 21 R HA 0.380 4.755 4.340 0.058 0.000 0.310 21 R C -1.088 175.259 176.300 0.077 0.000 0.955 21 R CA -1.787 54.343 56.100 0.050 0.000 0.853 21 R CB 1.940 32.244 30.300 0.007 0.000 1.171 21 R HN 0.555 8.731 8.270 0.039 0.117 0.449 22 E N 5.577 125.834 120.200 0.095 0.000 2.265 22 E HA 0.153 4.739 4.350 0.145 -0.150 0.272 22 E C -0.643 176.013 176.600 0.093 0.000 1.067 22 E CA 0.098 56.568 56.400 0.116 0.000 0.900 22 E CB -0.438 29.335 29.700 0.120 0.000 1.017 22 E HN 0.412 8.826 8.360 0.089 0.000 0.431 23 I N -2.743 117.890 120.570 0.105 0.000 3.076 23 I HA 0.348 4.558 4.170 0.067 0.000 0.313 23 I C -0.333 175.846 176.117 0.103 0.000 1.053 23 I CA -1.565 59.787 61.300 0.087 0.000 1.048 23 I CB 1.502 39.548 38.000 0.076 0.000 1.264 23 I HN 0.601 8.767 8.210 0.129 0.121 0.498 24 A N -0.863 122.007 122.820 0.084 0.000 2.832 24 A HA -0.418 3.946 4.320 0.074 0.000 0.280 24 A C -0.242 177.395 177.584 0.088 0.000 1.464 24 A CA 1.447 53.536 52.037 0.087 0.000 0.804 24 A CB -1.854 17.210 19.000 0.106 0.000 1.020 24 A HN 0.627 8.818 8.150 0.068 0.000 0.563 25 D N -2.998 117.450 120.400 0.079 0.000 2.739 25 D HA -0.334 4.345 4.640 0.066 0.000 0.240 25 D C 0.148 176.502 176.300 0.089 0.000 1.114 25 D CA 1.275 55.319 54.000 0.074 0.000 0.695 25 D CB -0.749 40.089 40.800 0.063 0.000 1.078 25 D HN 0.271 8.661 8.370 0.073 0.024 0.434 26 G N -5.352 103.510 108.800 0.104 0.000 2.225 26 G HA2 -0.392 3.644 3.960 0.127 0.000 0.254 26 G HA3 -0.392 3.632 3.960 0.107 0.000 0.254 26 G C 0.857 175.852 174.900 0.159 0.000 0.988 26 G CA 0.056 45.230 45.100 0.122 0.000 0.625 26 G HN 0.341 8.692 8.290 0.102 0.000 0.527 27 L N 1.255 122.578 121.223 0.168 0.000 1.970 27 L HA -0.172 4.312 4.340 0.240 0.000 0.212 27 L C -0.339 176.713 176.870 0.303 0.000 1.071 27 L CA 2.802 57.778 54.840 0.226 0.000 0.751 27 L CB 0.132 42.305 42.059 0.190 0.000 0.889 27 L HN -0.652 7.455 8.230 0.140 0.207 0.432 28 C N -7.142 112.324 119.300 0.278 0.000 2.771 28 C HA 0.434 5.226 4.460 0.411 -0.085 0.333 28 C C -1.574 173.558 174.990 0.238 0.000 1.267 28 C CA -0.950 58.261 59.018 0.322 0.000 1.721 28 C CB 3.766 31.707 27.740 0.335 0.000 2.222 28 C HN -0.224 8.137 8.230 0.217 0.000 0.485 29 L N -1.240 120.122 121.223 0.233 0.000 2.410 29 L HA 0.539 5.154 4.340 0.165 -0.176 0.270 29 L C -1.263 175.671 176.870 0.105 0.000 0.983 29 L CA -0.655 54.301 54.840 0.193 0.000 0.822 29 L CB 2.729 44.962 42.059 0.290 0.000 1.285 29 L HN 1.199 9.455 8.230 0.248 0.122 0.409 30 E N 3.659 123.903 120.200 0.074 0.000 2.081 30 E HA 0.595 5.201 4.350 0.028 -0.240 0.276 30 E C -0.391 176.206 176.600 -0.004 0.000 0.950 30 E CA -1.315 55.121 56.400 0.061 0.000 0.776 30 E CB 1.360 31.131 29.700 0.118 0.000 1.094 30 E HN 1.011 9.294 8.360 0.082 0.126 0.402 31 V N 7.285 127.136 119.914 -0.105 0.000 2.368 31 V HA 0.011 4.081 4.120 -0.084 0.000 0.266 31 V C -0.879 175.151 176.094 -0.106 0.000 1.045 31 V CA -1.341 60.867 62.300 -0.154 0.000 0.899 31 V CB -0.662 30.941 31.823 -0.367 0.000 1.006 31 V HN 0.779 8.872 8.190 -0.161 0.000 0.470 32 E N 8.698 128.878 120.200 -0.033 0.000 2.180 32 E HA 0.022 4.365 4.350 -0.012 0.000 0.283 32 E C -0.254 176.303 176.600 -0.072 0.000 1.061 32 E CA 0.303 56.688 56.400 -0.024 0.000 0.861 32 E CB 0.832 30.535 29.700 0.005 0.000 1.056 32 E HN -0.082 8.172 8.360 0.007 0.110 0.407 33 G N 4.325 113.026 108.800 -0.165 0.000 3.075 33 G HA2 0.257 4.021 3.960 -0.326 0.000 0.156 33 G HA3 0.257 4.013 3.960 -0.340 0.000 0.156 33 G C -2.376 172.484 174.900 -0.067 0.000 1.403 33 G CA -0.757 44.201 45.100 -0.237 0.000 1.033 33 G HN 0.535 8.735 8.290 -0.151 0.000 0.589 34 K N -3.480 116.878 120.400 -0.069 0.000 2.584 34 K HA 0.037 4.360 4.320 0.004 0.000 0.260 34 K C -1.154 175.437 176.600 -0.015 0.000 0.949 34 K CA -0.540 55.741 56.287 -0.009 0.000 0.888 34 K CB 1.253 33.772 32.500 0.031 0.000 1.330 34 K HN -0.278 7.895 8.250 -0.129 0.000 0.432 35 M N 4.352 123.956 119.600 0.006 0.000 2.227 35 M HA 0.079 4.670 4.480 -0.008 -0.116 0.349 35 M C 0.294 176.595 176.300 0.000 0.000 1.443 35 M CA 1.176 56.480 55.300 0.006 0.000 1.110 35 M CB 0.059 32.677 32.600 0.030 0.000 1.773 35 M HN 0.519 8.823 8.290 0.024 0.000 0.463 36 V N 2.725 122.635 119.914 -0.007 0.000 2.347 36 V HA 0.475 4.594 4.120 -0.001 0.000 0.280 36 V C -1.113 174.976 176.094 -0.007 0.000 1.021 36 V CA -2.677 59.620 62.300 -0.005 0.000 0.847 36 V CB -0.042 31.777 31.823 -0.006 0.000 0.990 36 V HN 0.992 9.074 8.190 -0.014 0.099 0.444 37 S N 7.521 123.217 115.700 -0.006 0.000 2.669 37 S HA 0.207 4.777 4.470 -0.008 -0.105 0.270 37 S C -0.366 174.230 174.600 -0.007 0.000 1.225 37 S CA -0.523 57.672 58.200 -0.007 0.000 0.991 37 S CB 1.620 64.815 63.200 -0.008 0.000 0.987 37 S HN 0.276 8.583 8.310 -0.005 0.000 0.552 38 R N 1.347 121.843 120.500 -0.007 0.000 2.510 38 R HA 0.174 4.511 4.340 -0.005 0.000 0.287 38 R C -1.485 174.812 176.300 -0.005 0.000 1.084 38 R CA 0.458 56.554 56.100 -0.006 0.000 0.934 38 R CB 2.284 32.581 30.300 -0.006 0.000 1.201 38 R HN 0.262 8.528 8.270 -0.007 0.000 0.431 39 T N 3.246 117.797 114.554 -0.004 0.000 5.335 39 T HA 0.090 4.438 4.350 -0.004 0.000 0.286 39 T C -0.802 173.896 174.700 -0.003 0.000 0.923 39 T CA 0.799 62.897 62.100 -0.004 0.000 0.581 39 T CB -0.453 68.412 68.868 -0.005 0.000 0.565 39 T HN 0.436 8.673 8.240 -0.004 0.000 0.261 40 E N 0.507 120.705 120.200 -0.003 0.000 2.423 40 E HA 0.338 4.687 4.350 -0.002 0.000 0.269 40 E C -1.371 175.228 176.600 -0.001 0.000 0.948 40 E CA -0.505 55.893 56.400 -0.002 0.000 0.802 40 E CB 1.446 31.145 29.700 -0.002 0.000 1.339 40 E HN -0.367 7.992 8.360 -0.003 0.000 0.445 41 G N 1.012 109.812 108.800 -0.001 0.000 3.055 41 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.654 41 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.654 41 G C -1.230 173.670 174.900 -0.000 0.000 1.134 41 G CA -0.436 44.664 45.100 -0.000 0.000 1.049 41 G HN -0.024 8.265 8.290 -0.001 0.000 0.458 42 N N 2.239 120.939 118.700 -0.000 0.000 2.670 42 N HA 0.114 4.854 4.740 -0.000 0.000 0.296 42 N C -0.822 174.688 175.510 0.000 0.000 1.216 42 N CA 0.837 53.886 53.050 -0.000 0.000 1.123 42 N CB -0.277 38.209 38.487 -0.000 0.000 1.459 42 N HN 0.221 8.601 8.380 -0.000 0.000 0.509 43 I N 1.748 122.318 120.570 0.000 0.000 2.710 43 I HA 0.129 4.299 4.170 0.001 0.000 0.283 43 I C -2.767 173.350 176.117 0.001 0.000 1.355 43 I CA -0.701 60.599 61.300 0.001 0.000 1.094 43 I CB 2.016 40.016 38.000 0.001 0.000 1.365 43 I HN -0.113 8.070 8.210 0.000 0.028 0.435 44 D N 7.173 127.573 120.400 0.001 0.000 2.646 44 D HA 0.344 4.985 4.640 0.001 0.000 0.245 44 D C -1.928 174.373 176.300 0.001 0.000 1.099 44 D CA -0.406 53.595 54.000 0.001 0.000 0.849 44 D CB 1.547 42.348 40.800 0.001 0.000 1.448 44 D HN -0.135 8.236 8.370 0.001 0.000 0.489 45 D N 0.710 121.111 120.400 0.002 0.000 2.732 45 D HA 0.140 4.782 4.640 0.002 0.000 0.292 45 D C -0.052 176.249 176.300 0.002 0.000 1.135 45 D CA -1.135 52.866 54.000 0.002 0.000 1.071 45 D CB 2.243 43.045 40.800 0.003 0.000 1.457 45 D HN -0.404 7.967 8.370 0.002 0.000 0.547 46 S N -0.975 114.726 115.700 0.003 0.000 2.428 46 S HA -0.159 4.523 4.470 0.002 -0.211 0.230 46 S C 1.584 176.186 174.600 0.003 0.000 1.014 46 S CA 1.748 59.949 58.200 0.003 0.000 0.957 46 S CB 0.332 63.534 63.200 0.003 0.000 0.784 46 S HN 0.066 8.378 8.310 0.003 0.000 0.499 47 L N -0.536 120.689 121.223 0.004 0.000 1.989 47 L HA -0.290 4.053 4.340 0.005 0.000 0.211 47 L C 1.199 178.071 176.870 0.004 0.000 1.071 47 L CA 2.291 57.133 54.840 0.004 0.000 0.749 47 L CB -0.227 41.835 42.059 0.005 0.000 0.890 47 L HN -0.369 7.832 8.230 0.004 0.031 0.431 48 I N -4.237 116.335 120.570 0.003 0.000 2.272 48 I HA -0.188 3.983 4.170 0.003 0.000 0.235 48 I C 0.621 176.740 176.117 0.002 0.000 1.071 48 I CA 1.096 62.397 61.300 0.003 0.000 1.374 48 I CB 0.508 38.510 38.000 0.002 0.000 1.121 48 I HN -0.714 7.498 8.210 0.003 0.000 0.420 49 G N -3.858 104.943 108.800 0.002 0.000 3.255 49 G HA2 0.184 4.145 3.960 0.002 0.000 0.161 49 G HA3 0.184 4.145 3.960 0.001 0.000 0.161 49 G C -2.118 172.783 174.900 0.001 0.000 1.173 49 G CA -0.683 44.417 45.100 0.001 0.000 1.106 49 G HN -0.687 7.604 8.290 0.002 0.000 0.650 50 G N -0.160 108.640 108.800 0.001 0.000 2.981 50 G HA2 -0.412 3.549 3.960 0.000 0.000 0.686 50 G HA3 -0.412 3.549 3.960 0.001 0.000 0.686 50 G C -0.273 174.627 174.900 0.001 0.000 1.068 50 G CA -0.328 44.772 45.100 0.001 0.000 0.806 50 G HN 0.168 8.459 8.290 0.000 0.000 0.568 51 N N 2.646 121.346 118.700 0.001 0.000 2.405 51 N HA 0.087 4.828 4.740 0.001 0.000 0.269 51 N C -0.104 175.406 175.510 0.001 0.000 1.249 51 N CA -0.387 52.663 53.050 0.001 0.000 0.974 51 N CB 0.922 39.409 38.487 0.000 0.000 1.204 51 N HN 0.136 8.516 8.380 0.000 0.000 0.565 52 A N 0.300 123.120 122.820 0.001 0.000 2.736 52 A HA 0.299 4.620 4.320 0.001 0.000 0.335 52 A C -0.046 177.539 177.584 0.001 0.000 1.446 52 A CA -0.757 51.281 52.037 0.001 0.000 1.028 52 A CB -0.711 18.289 19.000 0.001 0.000 1.154 52 A HN 0.173 8.323 8.150 0.001 0.000 0.507 53 S N 2.714 118.414 115.700 0.001 0.000 2.584 53 S HA -0.075 4.395 4.470 0.000 0.000 0.270 53 S C 0.066 174.666 174.600 0.000 0.000 1.346 53 S CA 0.556 58.756 58.200 0.000 0.000 1.018 53 S CB 0.556 63.756 63.200 0.000 0.000 0.899 53 S HN 0.089 8.400 8.310 0.001 0.000 0.542 54 A N 2.893 125.714 122.820 0.000 0.000 1.519 54 A HA 0.079 4.399 4.320 0.000 0.000 0.210 54 A C -1.006 176.578 177.584 0.000 0.000 1.889 54 A CA 0.631 52.668 52.037 0.000 0.000 1.478 54 A CB 0.750 19.750 19.000 0.000 0.000 1.432 54 A HN 0.506 8.656 8.150 0.000 0.000 0.340 55 E N -0.949 119.251 120.200 0.000 0.000 2.312 55 E HA 0.168 4.518 4.350 0.000 0.000 0.267 55 E C -0.269 176.331 176.600 0.000 0.000 0.894 55 E CA -0.118 56.282 56.400 0.000 0.000 0.773 55 E CB 1.107 30.807 29.700 0.000 0.000 1.241 55 E HN -0.164 8.196 8.360 0.000 0.000 0.432 56 G N 3.189 111.989 108.800 -0.000 0.000 3.402 56 G HA2 -0.104 3.855 3.960 -0.000 0.000 0.686 56 G HA3 -0.104 3.855 3.960 -0.000 0.000 0.686 56 G C -1.339 173.561 174.900 -0.000 0.000 0.983 56 G CA -1.079 44.020 45.100 -0.000 0.000 0.821 56 G HN 0.299 8.589 8.290 -0.000 0.000 0.500 57 P HA -0.087 4.333 4.420 -0.000 0.000 0.215 57 P C -0.111 177.188 177.300 -0.000 0.000 1.157 57 P CA 0.956 64.056 63.100 -0.000 0.000 0.859 57 P CB 0.659 32.359 31.700 -0.000 0.000 0.786 58 E N 0.350 120.549 120.200 -0.000 0.000 2.001 58 E HA 0.097 4.446 4.350 -0.001 0.000 0.279 58 E C -0.443 176.157 176.600 -0.001 0.000 1.045 58 E CA -0.109 56.291 56.400 -0.001 0.000 0.833 58 E CB -0.212 29.488 29.700 -0.001 0.000 1.077 58 E HN -0.031 8.329 8.360 -0.000 0.000 0.397 59 G N 2.508 111.308 108.800 -0.001 0.000 2.728 59 G HA2 0.049 4.009 3.960 -0.001 0.000 0.294 59 G HA3 0.049 4.009 3.960 -0.000 0.000 0.294 59 G C -1.729 173.171 174.900 -0.001 0.000 1.398 59 G CA 0.053 45.153 45.100 -0.001 0.000 1.183 59 G HN -0.092 8.197 8.290 -0.001 0.000 0.578 60 E N 1.935 122.134 120.200 -0.001 0.000 2.210 60 E HA 0.259 4.608 4.350 -0.001 0.000 0.266 60 E C -0.103 176.496 176.600 -0.001 0.000 0.883 60 E CA -0.687 55.713 56.400 -0.001 0.000 0.761 60 E CB 1.380 31.080 29.700 -0.001 0.000 1.156 60 E HN 0.036 8.395 8.360 -0.001 0.000 0.412 61 G N 2.890 111.689 108.800 -0.001 0.000 2.662 61 G HA2 0.012 3.972 3.960 -0.001 0.000 0.212 61 G HA3 0.012 4.192 3.960 -0.000 -0.220 0.212 61 G C -1.115 173.785 174.900 -0.001 0.000 1.141 61 G CA 0.181 45.281 45.100 -0.001 0.000 0.797 61 G HN 0.425 8.715 8.290 -0.001 0.000 0.531 62 T N -0.167 114.386 114.554 -0.001 0.000 0.690 62 T HA -0.305 4.178 4.350 -0.001 -0.133 0.758 62 T C -0.511 174.188 174.700 -0.001 0.000 0.990 62 T CA 0.472 62.571 62.100 -0.001 0.000 3.999 62 T CB -0.023 68.844 68.868 -0.002 0.000 2.259 62 T HN -0.369 7.910 8.240 -0.001 -0.040 0.391 63 E N 6.634 126.833 120.200 -0.001 0.000 2.060 63 E HA -0.132 4.218 4.350 -0.001 0.000 0.189 63 E C -0.196 176.403 176.600 -0.001 0.000 0.974 63 E CA 0.891 57.290 56.400 -0.001 0.000 0.808 63 E CB 0.350 30.050 29.700 -0.001 0.000 0.768 63 E HN 0.498 8.857 8.360 -0.001 0.000 0.453 64 S N -3.239 112.460 115.700 -0.002 0.000 3.625 64 S HA -0.240 4.228 4.470 -0.003 0.000 0.426 64 S C -1.236 173.362 174.600 -0.002 0.000 0.884 64 S CA 1.059 59.257 58.200 -0.003 0.000 1.322 64 S CB -0.873 62.326 63.200 -0.003 0.000 0.905 64 S HN 0.174 8.483 8.310 -0.002 0.000 0.586 65 T N 2.927 117.479 114.554 -0.002 0.000 2.963 65 T HA 0.152 4.501 4.350 -0.002 0.000 0.343 65 T C -1.948 172.751 174.700 -0.003 0.000 1.146 65 T CA -0.053 62.046 62.100 -0.002 0.000 1.016 65 T CB 0.293 69.160 68.868 -0.001 0.000 1.046 65 T HN -0.098 8.141 8.240 -0.002 0.000 0.496 66 V N 7.412 127.324 119.914 -0.004 0.000 2.540 66 V HA 0.585 4.903 4.120 -0.005 -0.201 0.302 66 V C -0.809 175.282 176.094 -0.005 0.000 1.035 66 V CA -1.528 60.770 62.300 -0.005 0.000 0.873 66 V CB 2.280 34.100 31.823 -0.006 0.000 0.992 66 V HN 0.281 8.469 8.190 -0.004 0.000 0.428 67 I N 6.674 127.241 120.570 -0.006 0.000 2.436 67 I HA 0.322 4.489 4.170 -0.005 0.000 0.289 67 I C -1.343 174.770 176.117 -0.007 0.000 1.010 67 I CA -1.804 59.492 61.300 -0.006 0.000 1.098 67 I CB 0.833 38.828 38.000 -0.007 0.000 1.266 67 I HN 0.127 8.223 8.210 -0.006 0.111 0.434 68 T N 4.558 119.108 114.554 -0.006 0.000 2.909 68 T HA 0.428 5.041 4.350 -0.008 -0.268 0.299 68 T C -0.810 173.888 174.700 -0.003 0.000 1.073 68 T CA -1.156 60.940 62.100 -0.006 0.000 0.999 68 T CB 3.524 72.388 68.868 -0.007 0.000 1.098 68 T HN 0.028 8.265 8.240 -0.004 0.000 0.477 69 G N 2.447 111.244 108.800 -0.005 0.000 2.313 69 G HA2 -0.005 3.962 3.960 0.012 0.000 0.296 69 G HA3 -0.005 3.952 3.960 -0.006 0.000 0.296 69 G C -2.955 171.930 174.900 -0.025 0.000 1.356 69 G CA 0.156 45.253 45.100 -0.004 0.000 0.833 69 G HN -0.419 7.867 8.290 -0.007 0.000 0.552 70 V N 0.379 120.261 119.914 -0.053 0.000 2.572 70 V HA -0.278 3.906 4.120 -0.084 -0.114 0.291 70 V C 0.222 176.246 176.094 -0.117 0.000 1.039 70 V CA 0.699 62.935 62.300 -0.107 0.000 1.055 70 V CB 0.746 32.447 31.823 -0.203 0.000 0.969 70 V HN 0.059 8.222 8.190 -0.046 0.000 0.482 71 D N 7.766 128.098 120.400 -0.114 0.000 2.078 71 D HA -0.338 4.259 4.640 -0.071 0.000 0.193 71 D C 1.603 177.788 176.300 -0.191 0.000 0.990 71 D CA 4.095 58.037 54.000 -0.098 0.000 0.827 71 D CB 0.466 41.257 40.800 -0.015 0.000 0.975 71 D HN -0.023 8.182 8.370 -0.102 0.104 0.451 72 I N -4.640 115.726 120.570 -0.341 0.000 2.315 72 I HA -0.265 3.657 4.170 -0.786 -0.224 0.251 72 I C 1.481 177.409 176.117 -0.315 0.000 1.125 72 I CA 3.126 64.096 61.300 -0.549 0.000 1.392 72 I CB -0.454 37.204 38.000 -0.569 0.000 1.065 72 I HN -0.150 7.840 8.210 -0.366 0.000 0.424 73 V N -0.838 118.969 119.914 -0.178 0.000 2.548 73 V HA -0.436 3.709 4.120 0.041 0.000 0.249 73 V C 1.700 177.767 176.094 -0.045 0.000 1.055 73 V CA 4.470 66.736 62.300 -0.057 0.000 1.065 73 V CB -0.119 31.650 31.823 -0.089 0.000 0.681 73 V HN -0.276 7.760 8.190 -0.219 0.022 0.462 74 M N -1.788 117.746 119.600 -0.110 0.000 2.193 74 M HA -0.253 4.139 4.480 -0.147 0.000 0.265 74 M C 1.429 177.614 176.300 -0.192 0.000 1.071 74 M CA 3.423 58.638 55.300 -0.141 0.000 1.140 74 M CB 0.216 32.751 32.600 -0.107 0.000 1.369 74 M HN -0.338 7.743 8.290 -0.131 0.130 0.423 75 N N -3.257 115.353 118.700 -0.150 0.000 2.376 75 N HA -0.152 4.579 4.740 -0.015 0.000 0.177 75 N C 1.008 176.610 175.510 0.153 0.000 1.024 75 N CA 1.715 54.730 53.050 -0.060 0.000 0.893 75 N CB 0.008 38.436 38.487 -0.099 0.000 0.980 75 N HN -0.043 8.221 8.380 -0.193 0.000 0.439 76 H N -2.224 116.964 119.070 0.197 0.000 2.539 76 H HA 0.003 4.721 4.556 0.270 0.000 0.269 76 H C -0.783 174.747 175.328 0.337 0.000 0.980 76 H CA -0.220 55.981 56.048 0.255 0.000 1.152 76 H CB 0.480 30.364 29.762 0.203 0.000 1.407 76 H HN -0.476 7.629 8.280 -0.117 0.105 0.564 77 H N -7.547 111.628 119.070 0.174 0.000 2.820 77 H HA -0.367 4.287 4.556 0.109 -0.033 0.295 77 H C -0.872 174.558 175.328 0.169 0.000 1.187 77 H CA 0.594 56.725 56.048 0.140 0.000 1.144 77 H CB -2.919 26.915 29.762 0.119 0.000 1.354 77 H HN -0.457 7.724 8.280 0.129 0.176 0.395 78 L N -2.203 119.191 121.223 0.284 0.000 2.506 78 L HA -0.227 4.456 4.340 0.318 -0.151 0.281 78 L C 0.476 177.525 176.870 0.299 0.000 1.228 78 L CA 1.507 56.536 54.840 0.316 0.000 0.850 78 L CB 0.517 42.767 42.059 0.318 0.000 1.110 78 L HN -0.565 7.796 8.230 0.250 0.020 0.496 79 Q N 0.937 120.900 119.800 0.271 0.000 2.321 79 Q HA 0.238 4.637 4.340 0.098 0.000 0.270 79 Q C -1.694 174.240 176.000 -0.109 0.000 1.032 79 Q CA -1.758 54.111 55.803 0.109 0.000 0.784 79 Q CB 2.727 31.518 28.738 0.090 0.000 1.264 79 Q HN 0.723 9.064 8.270 0.297 0.108 0.448 80 E N 6.461 126.411 120.200 -0.418 0.000 2.194 80 E HA 0.361 4.156 4.350 -1.263 -0.202 0.284 80 E C -0.757 175.645 176.600 -0.330 0.000 1.035 80 E CA -0.702 55.171 56.400 -0.878 0.000 0.836 80 E CB 0.975 29.984 29.700 -1.151 0.000 1.070 80 E HN 0.375 8.589 8.360 -0.244 0.000 0.401 81 T N 7.056 121.515 114.554 -0.158 0.000 2.922 81 T HA 0.307 4.626 4.350 -0.052 0.000 0.281 81 T C -1.636 173.139 174.700 0.124 0.000 1.005 81 T CA -2.054 60.044 62.100 -0.003 0.000 0.982 81 T CB 1.103 70.009 68.868 0.064 0.000 1.158 81 T HN 0.672 8.711 8.240 -0.158 0.107 0.566 82 S N -0.689 115.034 115.700 0.038 0.000 2.648 82 S HA 0.309 4.997 4.470 0.365 0.000 0.305 82 S C -1.633 172.881 174.600 -0.143 0.000 1.094 82 S CA -0.620 57.642 58.200 0.103 0.000 0.983 82 S CB 1.908 65.113 63.200 0.009 0.000 1.101 82 S HN -0.182 8.078 8.310 -0.084 0.000 0.514 83 F N -1.483 118.437 119.950 -0.050 0.000 2.746 83 F HA 0.190 4.562 4.527 -0.258 0.000 0.311 83 F C -2.039 173.777 175.800 0.027 0.000 1.135 83 F CA 0.042 57.873 58.000 -0.282 0.000 0.954 83 F CB 4.286 42.656 39.000 -1.050 0.000 1.276 83 F HN -0.117 8.442 8.300 0.431 0.000 0.440 84 T N 0.112 114.782 114.554 0.193 0.000 2.910 84 T HA 0.299 4.581 4.350 -0.113 0.000 0.279 84 T C 0.395 175.085 174.700 -0.018 0.000 0.989 84 T CA -1.964 60.141 62.100 0.009 0.000 0.968 84 T CB 1.966 70.831 68.868 -0.006 0.000 1.135 84 T HN -0.152 8.245 8.240 0.262 0.000 0.562 85 K N 0.710 121.016 120.400 -0.157 0.000 2.001 85 K HA -0.260 4.019 4.320 -0.068 0.000 0.208 85 K C 2.610 179.249 176.600 0.065 0.000 1.048 85 K CA 3.783 60.022 56.287 -0.080 0.000 0.932 85 K CB -0.145 32.272 32.500 -0.138 0.000 0.715 85 K HN 0.362 8.484 8.250 -0.213 0.000 0.437 86 E N -1.450 118.774 120.200 0.040 0.000 2.072 86 E HA -0.281 4.103 4.350 0.057 0.000 0.191 86 E C 1.842 178.510 176.600 0.113 0.000 0.985 86 E CA 3.163 59.599 56.400 0.061 0.000 0.801 86 E CB -0.474 29.245 29.700 0.031 0.000 0.750 86 E HN 0.280 8.639 8.360 -0.001 0.000 0.452 87 A N -0.521 122.390 122.820 0.151 0.000 1.933 87 A HA -0.216 4.211 4.320 0.179 0.000 0.218 87 A C 2.023 179.786 177.584 0.300 0.000 1.175 87 A CA 2.696 54.876 52.037 0.237 0.000 0.628 87 A CB -0.689 18.490 19.000 0.299 0.000 0.814 87 A HN -0.570 7.651 8.150 0.118 0.000 0.444 88 Y N -1.461 118.900 120.300 0.101 0.000 2.224 88 Y HA -0.411 4.092 4.550 -0.079 0.000 0.289 88 Y C 1.648 177.596 175.900 0.080 0.000 1.146 88 Y CA 2.693 60.819 58.100 0.043 0.000 1.182 88 Y CB -0.334 38.189 38.460 0.105 0.000 0.983 88 Y HN -0.357 8.043 8.280 0.359 0.095 0.524 89 K N -1.466 119.016 120.400 0.137 0.000 2.032 89 K HA -0.466 3.846 4.320 -0.013 0.000 0.209 89 K C 2.342 178.939 176.600 -0.006 0.000 1.048 89 K CA 3.791 60.096 56.287 0.030 0.000 0.927 89 K CB -0.529 31.996 32.500 0.041 0.000 0.712 89 K HN -0.519 7.735 8.250 0.189 0.109 0.441 90 K N -1.502 118.931 120.400 0.054 0.000 2.228 90 K HA -0.200 4.128 4.320 0.014 0.000 0.202 90 K C 2.345 179.002 176.600 0.094 0.000 1.051 90 K CA 2.081 58.403 56.287 0.058 0.000 0.960 90 K CB -0.144 32.409 32.500 0.088 0.000 0.743 90 K HN -0.775 7.532 8.250 0.094 0.000 0.458 91 Y N 1.210 121.463 120.300 -0.078 0.000 2.200 91 Y HA -0.314 4.222 4.550 -0.023 0.000 0.290 91 Y C 1.631 177.440 175.900 -0.152 0.000 1.137 91 Y CA 2.010 60.027 58.100 -0.139 0.000 1.163 91 Y CB -0.162 38.046 38.460 -0.421 0.000 0.988 91 Y HN 0.090 8.249 8.280 0.177 0.227 0.518 92 I N -0.171 120.227 120.570 -0.287 0.000 2.179 92 I HA -0.515 3.371 4.170 -0.474 0.000 0.242 92 I C 1.021 176.822 176.117 -0.527 0.000 1.088 92 I CA 2.352 63.363 61.300 -0.482 0.000 1.357 92 I CB -0.111 37.610 38.000 -0.465 0.000 1.051 92 I HN 0.654 8.607 8.210 -0.250 0.107 0.409 93 K N -0.843 119.379 120.400 -0.296 0.000 2.097 93 K HA -0.450 3.699 4.320 -0.285 0.000 0.206 93 K C 1.989 178.479 176.600 -0.183 0.000 1.049 93 K CA 3.989 60.138 56.287 -0.231 0.000 0.933 93 K CB -0.411 32.012 32.500 -0.127 0.000 0.717 93 K HN -0.663 7.459 8.250 -0.213 0.000 0.442 94 D N -1.232 119.103 120.400 -0.110 0.000 2.123 94 D HA -0.232 4.397 4.640 -0.018 0.000 0.200 94 D C 2.215 178.496 176.300 -0.032 0.000 0.976 94 D CA 3.286 57.272 54.000 -0.025 0.000 0.831 94 D CB 0.315 41.168 40.800 0.088 0.000 0.974 94 D HN -0.469 7.752 8.370 -0.088 0.097 0.469 95 Y N -0.824 119.364 120.300 -0.187 0.000 2.243 95 Y HA -0.105 4.382 4.550 -0.106 0.000 0.293 95 Y C 1.451 177.306 175.900 -0.075 0.000 1.124 95 Y CA 1.579 59.569 58.100 -0.185 0.000 1.159 95 Y CB 0.053 38.274 38.460 -0.399 0.000 1.008 95 Y HN -0.007 8.073 8.280 -0.157 0.106 0.527 96 M N -0.865 118.220 119.600 -0.858 0.000 2.229 96 M HA -0.334 3.978 4.480 -0.280 0.000 0.264 96 M C 1.577 177.841 176.300 -0.059 0.000 1.063 96 M CA 3.583 58.558 55.300 -0.541 0.000 1.114 96 M CB 0.033 32.133 32.600 -0.834 0.000 1.387 96 M HN 0.660 8.213 8.290 -1.028 0.120 0.420 97 K N -0.386 119.946 120.400 -0.113 0.000 2.155 97 K HA -0.258 4.052 4.320 -0.017 0.000 0.203 97 K C 2.376 178.981 176.600 0.009 0.000 1.052 97 K CA 3.052 59.319 56.287 -0.034 0.000 0.948 97 K CB -0.905 31.567 32.500 -0.047 0.000 0.728 97 K HN -0.368 7.748 8.250 -0.191 0.019 0.448 98 S N 1.075 116.790 115.700 0.024 0.000 2.368 98 S HA -0.232 4.254 4.470 0.025 0.000 0.225 98 S C 2.268 176.885 174.600 0.028 0.000 1.030 98 S CA 3.968 62.191 58.200 0.039 0.000 0.999 98 S CB -0.121 63.121 63.200 0.071 0.000 0.844 98 S HN -0.664 7.540 8.310 0.015 0.115 0.459 99 I N 1.206 121.802 120.570 0.042 0.000 2.333 99 I HA -0.385 3.750 4.170 -0.058 0.000 0.246 99 I C 1.200 177.255 176.117 -0.102 0.000 1.106 99 I CA 3.750 65.012 61.300 -0.064 0.000 1.411 99 I CB -0.112 37.770 38.000 -0.196 0.000 1.082 99 I HN -0.562 7.704 8.210 0.093 0.000 0.420 100 K N 1.287 121.698 120.400 0.018 0.000 2.009 100 K HA -0.451 3.895 4.320 0.043 0.000 0.210 100 K C 2.209 178.814 176.600 0.008 0.000 1.049 100 K CA 3.914 60.234 56.287 0.056 0.000 0.929 100 K CB -0.350 32.223 32.500 0.122 0.000 0.714 100 K HN 0.365 8.567 8.250 0.108 0.113 0.440 101 G N -2.134 106.670 108.800 0.007 0.000 2.446 101 G HA2 -0.338 3.883 3.960 0.003 0.000 0.217 101 G HA3 -0.338 3.623 3.960 0.003 0.000 0.217 101 G C 1.337 176.233 174.900 -0.007 0.000 1.168 101 G CA 2.085 47.185 45.100 0.001 0.000 0.771 101 G HN 0.328 8.514 8.290 0.014 0.113 0.551 102 K N 2.133 122.525 120.400 -0.014 0.000 2.097 102 K HA -0.264 4.053 4.320 -0.005 0.000 0.206 102 K C 2.259 178.843 176.600 -0.026 0.000 1.049 102 K CA 2.038 58.316 56.287 -0.015 0.000 0.933 102 K CB -0.240 32.250 32.500 -0.017 0.000 0.717 102 K HN -0.742 7.500 8.250 -0.014 0.000 0.442 103 L N -0.363 120.830 121.223 -0.050 0.000 2.093 103 L HA -0.300 4.006 4.340 -0.056 0.000 0.208 103 L C 1.685 178.538 176.870 -0.028 0.000 1.085 103 L CA 3.232 58.037 54.840 -0.058 0.000 0.755 103 L CB -0.094 41.900 42.059 -0.108 0.000 0.904 103 L HN 0.499 8.490 8.230 -0.062 0.202 0.435 104 E N -1.180 119.011 120.200 -0.016 0.000 2.160 104 E HA -0.355 3.993 4.350 -0.003 0.000 0.195 104 E C 1.312 177.909 176.600 -0.006 0.000 0.991 104 E CA 2.735 59.132 56.400 -0.005 0.000 0.810 104 E CB -0.248 29.452 29.700 -0.000 0.000 0.742 104 E HN 0.262 8.406 8.360 -0.016 0.206 0.466 105 E N -3.627 116.569 120.200 -0.007 0.000 2.385 105 E HA -0.146 4.202 4.350 -0.003 0.000 0.194 105 E C 0.618 177.214 176.600 -0.007 0.000 1.013 105 E CA 1.409 57.806 56.400 -0.004 0.000 0.866 105 E CB -0.241 29.459 29.700 -0.001 0.000 0.832 105 E HN -0.327 7.900 8.360 -0.009 0.128 0.500 106 Q N -1.845 117.948 119.800 -0.011 0.000 2.525 106 Q HA 0.007 4.340 4.340 -0.012 0.000 0.203 106 Q C 0.833 176.824 176.000 -0.015 0.000 0.947 106 Q CA 1.100 56.894 55.803 -0.014 0.000 0.881 106 Q CB 2.555 31.282 28.738 -0.018 0.000 1.049 106 Q HN -0.504 7.588 8.270 -0.015 0.170 0.600 107 R N -1.244 119.244 120.500 -0.019 0.000 2.835 107 R HA 0.543 4.877 4.340 -0.010 0.000 0.290 107 R C -1.663 174.631 176.300 -0.009 0.000 1.410 107 R CA -3.084 53.008 56.100 -0.014 0.000 1.590 107 R CB -0.135 30.154 30.300 -0.018 0.000 1.288 107 R HN 0.208 8.367 8.270 -0.025 0.096 0.637 108 P HA -0.229 4.192 4.420 0.002 0.000 0.220 108 P C 0.990 178.295 177.300 0.009 0.000 1.144 108 P CA 2.219 65.320 63.100 0.002 0.000 0.800 108 P CB -0.085 31.616 31.700 0.001 0.000 0.772 109 E N -3.027 117.177 120.200 0.007 0.000 2.478 109 E HA -0.146 4.212 4.350 0.013 0.000 0.198 109 E C 0.806 177.418 176.600 0.021 0.000 1.046 109 E CA 1.973 58.381 56.400 0.012 0.000 0.870 109 E CB -1.284 28.421 29.700 0.009 0.000 0.818 109 E HN 0.380 8.694 8.360 0.003 0.049 0.527 110 R N -2.413 118.099 120.500 0.021 0.000 2.397 110 R HA 0.276 4.642 4.340 0.044 0.000 0.241 110 R C 0.932 177.270 176.300 0.062 0.000 0.914 110 R CA -0.665 55.456 56.100 0.035 0.000 1.071 110 R CB 0.894 31.203 30.300 0.016 0.000 1.116 110 R HN 0.386 8.464 8.270 0.011 0.199 0.524 111 V N -2.011 117.936 119.914 0.054 0.000 2.667 111 V HA -0.283 3.915 4.120 0.129 0.000 0.252 111 V C 1.114 177.274 176.094 0.110 0.000 1.065 111 V CA 2.639 64.994 62.300 0.093 0.000 1.083 111 V CB -0.713 31.143 31.823 0.055 0.000 0.692 111 V HN -0.656 7.380 8.190 0.033 0.175 0.468 112 K N 0.453 120.893 120.400 0.067 0.000 1.984 112 K HA -0.123 4.214 4.320 0.028 0.000 0.209 112 K C -0.250 176.379 176.600 0.048 0.000 1.046 112 K CA 4.694 61.007 56.287 0.042 0.000 0.934 112 K CB -2.834 29.681 32.500 0.026 0.000 0.717 112 K HN -0.090 8.165 8.250 0.053 0.027 0.438 113 P HA -0.218 4.227 4.420 0.041 0.000 0.215 113 P C 1.411 178.768 177.300 0.095 0.000 1.153 113 P CA 2.701 65.844 63.100 0.072 0.000 0.853 113 P CB -0.290 31.462 31.700 0.086 0.000 0.788 114 F N -0.860 119.076 119.950 -0.022 0.000 2.171 114 F HA -0.245 4.264 4.527 -0.030 0.000 0.300 114 F C 1.671 177.419 175.800 -0.086 0.000 1.090 114 F CA 2.906 60.879 58.000 -0.045 0.000 1.293 114 F CB 0.094 39.068 39.000 -0.044 0.000 1.013 114 F HN -0.741 7.703 8.300 0.255 0.010 0.486 115 M N -0.784 118.740 119.600 -0.127 0.000 2.080 115 M HA -0.398 3.854 4.480 -0.381 0.000 0.260 115 M C 2.358 178.513 176.300 -0.242 0.000 1.068 115 M CA 3.902 59.061 55.300 -0.235 0.000 1.109 115 M CB -0.654 31.889 32.600 -0.096 0.000 1.342 115 M HN -0.409 7.823 8.290 0.052 0.089 0.405 116 T N 1.143 115.612 114.554 -0.141 0.000 2.812 116 T HA -0.286 3.996 4.350 -0.113 0.000 0.264 116 T C 2.098 176.722 174.700 -0.127 0.000 1.042 116 T CA 5.551 67.585 62.100 -0.110 0.000 1.140 116 T CB -0.218 68.620 68.868 -0.051 0.000 0.870 116 T HN -0.371 7.817 8.240 -0.087 0.000 0.445 117 G N 0.010 108.737 108.800 -0.122 0.000 2.408 117 G HA2 -0.252 3.680 3.960 -0.046 0.000 0.217 117 G HA3 -0.252 3.685 3.960 -0.039 0.000 0.217 117 G C 0.304 175.082 174.900 -0.204 0.000 1.150 117 G CA 1.589 46.632 45.100 -0.097 0.000 0.776 117 G HN 0.399 8.519 8.290 -0.097 0.112 0.542 118 A N 2.690 125.234 122.820 -0.460 0.000 1.865 118 A HA -0.331 3.645 4.320 -0.574 0.000 0.217 118 A C 1.637 178.985 177.584 -0.393 0.000 1.191 118 A CA 3.152 54.803 52.037 -0.643 0.000 0.623 118 A CB -0.532 17.741 19.000 -1.210 0.000 0.826 118 A HN 0.550 8.251 8.150 -0.544 0.123 0.444 119 A N -3.260 119.364 122.820 -0.326 0.000 2.015 119 A HA -0.242 3.945 4.320 -0.221 0.000 0.219 119 A C 2.400 179.916 177.584 -0.114 0.000 1.163 119 A CA 2.639 54.551 52.037 -0.208 0.000 0.646 119 A CB -0.696 18.197 19.000 -0.178 0.000 0.806 119 A HN -0.449 7.486 8.150 -0.358 0.000 0.448 120 E N -1.047 119.097 120.200 -0.094 0.000 2.021 120 E HA -0.246 4.096 4.350 -0.013 0.000 0.189 120 E C 2.287 178.905 176.600 0.029 0.000 0.980 120 E CA 2.506 58.893 56.400 -0.022 0.000 0.803 120 E CB -0.109 29.586 29.700 -0.009 0.000 0.766 120 E HN -0.460 7.693 8.360 -0.131 0.128 0.449 121 Q N -0.016 119.795 119.800 0.018 0.000 2.096 121 Q HA -0.298 4.096 4.340 0.090 0.000 0.204 121 Q C 2.282 178.335 176.000 0.088 0.000 0.982 121 Q CA 2.895 58.737 55.803 0.066 0.000 0.850 121 Q CB -0.414 28.372 28.738 0.081 0.000 0.901 121 Q HN 0.235 8.381 8.270 -0.026 0.108 0.422 122 I N -0.788 119.806 120.570 0.040 0.000 2.163 122 I HA -0.428 3.849 4.170 0.177 0.000 0.243 122 I C 1.239 177.427 176.117 0.118 0.000 1.085 122 I CA 2.699 64.049 61.300 0.084 0.000 1.347 122 I CB -0.416 37.557 38.000 -0.045 0.000 1.044 122 I HN -0.112 8.076 8.210 -0.036 0.000 0.408 123 K N -1.872 118.568 120.400 0.066 0.000 2.147 123 K HA -0.410 3.952 4.320 0.071 0.000 0.205 123 K C 2.418 179.066 176.600 0.080 0.000 1.049 123 K CA 3.448 59.773 56.287 0.063 0.000 0.936 123 K CB -0.427 32.086 32.500 0.022 0.000 0.722 123 K HN -0.568 7.698 8.250 0.026 0.000 0.446 124 H N 0.301 119.363 119.070 -0.013 0.000 2.299 124 H HA -0.222 4.320 4.556 -0.024 0.000 0.302 124 H C 2.600 177.845 175.328 -0.139 0.000 1.078 124 H CA 3.179 59.200 56.048 -0.045 0.000 1.323 124 H CB 0.493 30.237 29.762 -0.030 0.000 1.381 124 H HN -0.627 7.629 8.280 0.179 0.131 0.498 125 I N -2.830 117.751 120.570 0.018 0.000 2.226 125 I HA -0.520 3.120 4.170 -0.884 0.000 0.245 125 I C 1.783 177.840 176.117 -0.099 0.000 1.100 125 I CA 3.424 64.514 61.300 -0.349 0.000 1.374 125 I CB -0.359 37.480 38.000 -0.268 0.000 1.057 125 I HN -0.254 8.002 8.210 0.076 0.000 0.413 126 L N -0.236 121.048 121.223 0.101 0.000 2.081 126 L HA -0.352 4.127 4.340 0.232 0.000 0.212 126 L C 2.354 179.293 176.870 0.115 0.000 1.080 126 L CA 2.758 57.700 54.840 0.169 0.000 0.754 126 L CB -0.852 41.321 42.059 0.190 0.000 0.893 126 L HN 0.363 8.676 8.230 0.139 0.000 0.433 127 A N -2.636 120.218 122.820 0.056 0.000 2.172 127 A HA -0.140 4.208 4.320 0.047 0.000 0.216 127 A C 0.313 177.943 177.584 0.076 0.000 1.154 127 A CA 2.061 54.122 52.037 0.039 0.000 0.701 127 A CB -0.437 18.548 19.000 -0.025 0.000 0.789 127 A HN -0.319 7.738 8.150 0.038 0.116 0.465 128 N N -2.986 115.767 118.700 0.089 0.000 2.466 128 N HA 0.282 5.127 4.740 0.174 0.000 0.272 128 N C -0.685 174.952 175.510 0.212 0.000 1.455 128 N CA -0.653 52.500 53.050 0.173 0.000 0.875 128 N CB 1.102 39.759 38.487 0.283 0.000 1.372 128 N HN -0.015 8.170 8.380 0.035 0.216 0.492 129 F N 3.367 123.327 119.950 0.017 0.000 2.184 129 F HA -0.501 3.963 4.527 -0.104 0.000 0.301 129 F C -0.446 175.345 175.800 -0.014 0.000 1.076 129 F CA 4.226 62.206 58.000 -0.033 0.000 1.295 129 F CB 0.329 39.321 39.000 -0.014 0.000 1.026 129 F HN -0.808 7.584 8.300 0.292 0.083 0.494 130 K N -3.490 116.972 120.400 0.103 0.000 2.283 130 K HA -0.285 3.932 4.320 -0.171 0.000 0.202 130 K C 0.813 177.361 176.600 -0.085 0.000 1.048 130 K CA 1.918 58.193 56.287 -0.021 0.000 0.948 130 K CB -0.275 32.301 32.500 0.126 0.000 0.742 130 K HN 0.024 8.419 8.250 0.287 0.027 0.458 131 N N -2.459 116.251 118.700 0.017 0.000 2.387 131 N HA 0.004 4.720 4.740 -0.040 0.000 0.176 131 N C 0.022 175.446 175.510 -0.143 0.000 1.022 131 N CA 1.393 54.441 53.050 -0.004 0.000 0.883 131 N CB 2.026 40.573 38.487 0.099 0.000 1.019 131 N HN -0.212 8.064 8.380 0.118 0.175 0.435 132 Y N -2.305 117.831 120.300 -0.273 0.000 2.310 132 Y HA 0.255 4.811 4.550 -0.327 -0.202 0.326 132 Y C 0.212 175.751 175.900 -0.601 0.000 1.151 132 Y CA -0.152 57.728 58.100 -0.368 0.000 1.195 132 Y CB 0.715 39.000 38.460 -0.292 0.000 1.210 132 Y HN -0.196 8.258 8.280 0.289 0.000 0.483 133 Q N 0.044 119.620 119.800 -0.374 0.000 2.377 133 Q HA 0.345 4.165 4.340 -0.866 0.000 0.271 133 Q C -1.221 174.589 176.000 -0.317 0.000 1.077 133 Q CA -2.229 53.293 55.803 -0.467 0.000 0.820 133 Q CB 4.376 33.052 28.738 -0.103 0.000 1.347 133 Q HN -0.062 8.041 8.270 -0.278 0.000 0.444 134 F N 0.875 120.810 119.950 -0.026 0.000 2.438 134 F HA 0.040 4.732 4.527 0.124 -0.090 0.356 134 F C -0.663 175.084 175.800 -0.087 0.000 1.099 134 F CA -0.188 57.844 58.000 0.053 0.000 1.185 134 F CB -0.101 38.988 39.000 0.148 0.000 1.115 134 F HN 0.523 8.404 8.300 -0.697 0.000 0.526 135 F N 1.492 121.505 119.950 0.105 0.000 2.577 135 F HA 0.832 5.612 4.527 0.088 -0.200 0.318 135 F C -0.828 175.026 175.800 0.090 0.000 1.065 135 F CA -1.518 56.512 58.000 0.050 0.000 0.929 135 F CB 4.759 43.715 39.000 -0.072 0.000 1.237 135 F HN 0.512 8.990 8.300 0.350 0.032 0.468 136 I N -3.048 117.691 120.570 0.280 0.000 2.994 136 I HA 0.375 4.696 4.170 0.253 0.000 0.306 136 I C -1.002 175.265 176.117 0.250 0.000 1.195 136 I CA -2.106 59.341 61.300 0.244 0.000 1.001 136 I CB 3.830 41.949 38.000 0.198 0.000 1.244 136 I HN 0.759 9.011 8.210 0.258 0.113 0.437 137 G N 0.567 109.505 108.800 0.230 0.000 2.518 137 G HA2 -0.158 3.950 3.960 0.247 0.000 0.284 137 G HA3 -0.158 4.062 3.960 0.175 -0.155 0.284 137 G C 0.507 175.518 174.900 0.184 0.000 1.362 137 G CA 0.309 45.535 45.100 0.210 0.000 1.065 137 G HN 0.465 8.888 8.290 0.220 0.000 0.561 138 E N -1.842 118.456 120.200 0.163 0.000 2.478 138 E HA -0.265 4.312 4.350 0.174 -0.122 0.198 138 E C 0.481 177.139 176.600 0.096 0.000 1.046 138 E CA 1.541 58.024 56.400 0.138 0.000 0.870 138 E CB -0.248 29.501 29.700 0.081 0.000 0.818 138 E HN -0.103 8.480 8.360 0.153 -0.131 0.527 139 N N -1.778 116.978 118.700 0.093 0.000 2.402 139 N HA -0.035 4.743 4.740 0.063 0.000 0.174 139 N C -1.082 174.479 175.510 0.085 0.000 1.027 139 N CA 0.469 53.565 53.050 0.076 0.000 0.891 139 N CB 0.935 39.462 38.487 0.068 0.000 1.016 139 N HN -0.242 8.133 8.380 0.106 0.069 0.439 140 M N -2.438 117.227 119.600 0.108 0.000 2.297 140 M HA -0.259 4.304 4.480 0.138 0.000 0.200 140 M C -2.077 174.293 176.300 0.115 0.000 0.414 140 M CA 0.605 55.974 55.300 0.115 0.000 0.449 140 M CB -1.158 31.496 32.600 0.090 0.000 1.436 140 M HN -0.632 7.731 8.290 0.122 0.000 0.912 141 N N -2.041 116.731 118.700 0.120 0.000 2.416 141 N HA 0.113 4.912 4.740 0.099 0.000 0.265 141 N C -1.201 174.409 175.510 0.167 0.000 1.195 141 N CA -1.367 51.753 53.050 0.117 0.000 0.943 141 N CB -0.148 38.395 38.487 0.092 0.000 1.115 141 N HN -0.287 8.165 8.380 0.120 0.000 0.481 142 P HA -0.024 4.610 4.420 0.357 0.000 0.220 142 P C -0.626 176.865 177.300 0.318 0.000 1.148 142 P CA 1.254 64.517 63.100 0.272 0.000 0.803 142 P CB 0.169 31.981 31.700 0.187 0.000 0.782 143 D N -2.820 117.699 120.400 0.199 0.000 2.349 143 D HA -0.056 4.704 4.640 0.200 0.000 0.224 143 D C 0.162 176.541 176.300 0.133 0.000 1.029 143 D CA 0.515 54.614 54.000 0.164 0.000 0.879 143 D CB -0.175 40.689 40.800 0.108 0.000 0.906 143 D HN -0.084 8.352 8.370 0.155 0.026 0.528 144 G N -1.773 107.106 108.800 0.132 0.000 2.574 144 G HA2 0.203 4.218 3.960 0.091 0.000 0.248 144 G HA3 0.203 4.287 3.960 0.098 -0.065 0.248 144 G C -1.538 173.397 174.900 0.057 0.000 1.422 144 G CA -0.941 44.219 45.100 0.100 0.000 1.051 144 G HN -0.567 7.621 8.290 0.159 0.198 0.560 145 M N -1.623 118.004 119.600 0.046 0.000 2.336 145 M HA 0.297 4.505 4.480 -0.454 0.000 0.256 145 M C -1.169 175.090 176.300 -0.068 0.000 1.176 145 M CA -0.351 54.887 55.300 -0.104 0.000 0.948 145 M CB 1.902 34.590 32.600 0.148 0.000 1.393 145 M HN -0.592 7.963 8.290 0.096 -0.207 0.528 146 V N -1.599 118.240 119.914 -0.126 0.000 2.914 146 V HA 0.213 4.504 4.120 0.119 -0.100 0.314 146 V C -1.119 174.865 176.094 -0.183 0.000 1.084 146 V CA -2.039 60.271 62.300 0.017 0.000 0.963 146 V CB 3.775 35.733 31.823 0.225 0.000 1.025 146 V HN -0.429 7.677 8.190 -0.141 0.000 0.432 147 A N 3.839 126.597 122.820 -0.103 0.000 2.273 147 A HA 0.566 4.598 4.320 -0.814 -0.201 0.315 147 A C -0.999 176.440 177.584 -0.241 0.000 1.256 147 A CA -2.070 49.703 52.037 -0.441 0.000 0.851 147 A CB 1.980 20.686 19.000 -0.489 0.000 1.172 147 A HN 0.941 9.104 8.150 0.097 0.046 0.508 148 L N 5.501 126.510 121.223 -0.357 0.000 2.268 148 L HA 0.501 5.055 4.340 -0.107 -0.278 0.289 148 L C -0.143 176.437 176.870 -0.484 0.000 1.064 148 L CA -1.105 53.602 54.840 -0.221 0.000 0.824 148 L CB 0.300 42.355 42.059 -0.006 0.000 1.202 148 L HN -0.100 7.820 8.230 -0.517 0.000 0.433 149 L N 7.010 127.924 121.223 -0.514 0.000 2.278 149 L HA 0.465 4.430 4.340 -0.942 -0.191 0.287 149 L C -1.496 174.818 176.870 -0.926 0.000 1.072 149 L CA -0.269 54.074 54.840 -0.828 0.000 0.819 149 L CB 1.529 42.978 42.059 -1.017 0.000 1.176 149 L HN -0.109 7.973 8.230 -0.246 0.000 0.435 150 D N 6.647 126.260 120.400 -1.312 0.000 2.566 150 D HA 0.384 4.459 4.640 -0.941 0.000 0.254 150 D C -1.701 174.033 176.300 -0.944 0.000 1.090 150 D CA -1.418 51.845 54.000 -1.228 0.000 1.034 150 D CB 5.216 45.191 40.800 -1.376 0.000 1.434 150 D HN 1.064 8.390 8.370 -1.550 0.115 0.509 151 Y N -2.601 117.636 120.300 -0.106 0.000 2.429 151 Y HA 0.490 5.309 4.550 0.139 -0.186 0.342 151 Y C 0.512 176.524 175.900 0.186 0.000 1.004 151 Y CA -0.618 57.536 58.100 0.090 0.000 1.075 151 Y CB 2.363 40.801 38.460 -0.037 0.000 1.214 151 Y HN 0.096 8.331 8.280 -0.075 0.000 0.455 152 R N 1.419 122.050 120.500 0.218 0.000 3.073 152 R HA -0.233 4.005 4.340 -0.170 0.000 0.290 152 R C 1.931 178.252 176.300 0.034 0.000 1.130 152 R CA -0.123 55.972 56.100 -0.010 0.000 1.186 152 R CB 0.399 30.661 30.300 -0.063 0.000 1.166 152 R HN 0.186 8.602 8.270 0.243 0.000 0.563 153 E N 0.847 121.039 120.200 -0.013 0.000 2.171 153 E HA -0.338 4.024 4.350 0.019 0.000 0.197 153 E C 0.139 176.744 176.600 0.008 0.000 0.997 153 E CA 2.763 59.165 56.400 0.004 0.000 0.810 153 E CB -0.301 29.393 29.700 -0.009 0.000 0.738 153 E HN 0.338 8.665 8.360 -0.055 0.000 0.467 154 D N -4.806 115.597 120.400 0.004 0.000 2.317 154 D HA -0.130 4.504 4.640 -0.010 0.000 0.211 154 D C 0.150 176.442 176.300 -0.013 0.000 0.966 154 D CA -0.095 53.902 54.000 -0.005 0.000 0.876 154 D CB -0.495 40.301 40.800 -0.007 0.000 0.927 154 D HN -0.222 8.123 8.370 0.000 0.026 0.519 155 G N -1.376 107.436 108.800 0.019 0.000 2.153 155 G HA2 -0.412 3.640 3.960 0.083 0.000 0.252 155 G HA3 -0.412 3.494 3.960 -0.089 0.000 0.252 155 G C -0.408 174.412 174.900 -0.134 0.000 0.994 155 G CA 1.119 46.202 45.100 -0.027 0.000 0.698 155 G HN 0.054 8.175 8.290 0.053 0.201 0.521 156 V N -2.144 117.773 119.914 0.005 0.000 2.939 156 V HA 0.133 4.186 4.120 -0.112 0.000 0.228 156 V C 0.420 176.624 176.094 0.184 0.000 1.162 156 V CA 0.534 62.838 62.300 0.008 0.000 1.222 156 V CB 2.025 33.842 31.823 -0.009 0.000 1.053 156 V HN 0.074 8.733 8.190 0.047 -0.441 0.504 157 T N 3.777 118.413 114.554 0.136 0.000 2.736 157 T HA -0.036 4.365 4.350 0.086 0.000 0.275 157 T C -2.184 172.617 174.700 0.170 0.000 0.962 157 T CA 0.765 62.935 62.100 0.116 0.000 1.214 157 T CB -0.371 68.525 68.868 0.046 0.000 0.904 157 T HN -0.630 7.822 8.240 0.083 -0.162 0.529 158 P HA 0.398 4.673 4.420 -0.516 -0.165 0.287 158 P C -1.673 175.505 177.300 -0.204 0.000 1.294 158 P CA -0.967 61.989 63.100 -0.240 0.000 0.776 158 P CB 0.258 31.783 31.700 -0.291 0.000 0.889 159 Y N 1.751 121.792 120.300 -0.432 0.000 2.485 159 Y HA 0.950 5.508 4.550 -0.344 -0.215 0.345 159 Y C -2.350 173.271 175.900 -0.464 0.000 0.998 159 Y CA -3.560 54.317 58.100 -0.372 0.000 1.059 159 Y CB 3.428 41.732 38.460 -0.260 0.000 1.234 159 Y HN 1.175 9.138 8.280 -0.336 0.115 0.461 160 M N 0.269 119.556 119.600 -0.522 0.000 2.436 160 M HA 0.523 4.696 4.480 -0.852 -0.205 0.331 160 M C -1.039 174.865 176.300 -0.659 0.000 1.135 160 M CA -1.306 53.549 55.300 -0.742 0.000 0.987 160 M CB 3.971 36.081 32.600 -0.817 0.000 1.687 160 M HN 0.415 8.403 8.290 -0.331 0.103 0.445 161 I N 2.052 122.208 120.570 -0.690 0.000 2.304 161 I HA 0.147 4.297 4.170 -0.257 -0.134 0.291 161 I C -0.835 174.816 176.117 -0.778 0.000 1.018 161 I CA -0.142 60.876 61.300 -0.469 0.000 1.260 161 I CB 0.113 37.987 38.000 -0.210 0.000 1.390 161 I HN 0.694 8.401 8.210 -0.709 0.077 0.475 162 F N 6.880 126.622 119.950 -0.347 0.000 2.538 162 F HA 0.353 4.485 4.527 -0.658 0.000 0.325 162 F C -0.771 174.921 175.800 -0.179 0.000 1.066 162 F CA -1.676 56.091 58.000 -0.388 0.000 0.946 162 F CB 4.304 43.196 39.000 -0.180 0.000 1.199 162 F HN 0.915 9.034 8.300 -0.115 0.113 0.473 163 F N 0.489 120.672 119.950 0.388 0.000 2.405 163 F HA 0.300 5.016 4.527 0.315 0.000 0.355 163 F C 0.023 175.988 175.800 0.276 0.000 1.121 163 F CA -1.556 56.642 58.000 0.330 0.000 1.112 163 F CB -0.563 38.663 39.000 0.378 0.000 1.126 163 F HN -0.016 8.236 8.300 -0.081 0.000 0.481 164 K N 3.579 124.224 120.400 0.409 0.000 2.001 164 K HA -0.318 4.160 4.320 0.262 0.000 0.208 164 K C 1.627 178.303 176.600 0.126 0.000 1.048 164 K CA 3.420 59.860 56.287 0.255 0.000 0.932 164 K CB 0.393 33.024 32.500 0.218 0.000 0.715 164 K HN -0.127 8.387 8.250 0.440 0.000 0.437 165 D N -1.772 118.659 120.400 0.052 0.000 2.182 165 D HA -0.200 4.352 4.640 -0.148 0.000 0.201 165 D C 0.772 176.912 176.300 -0.267 0.000 0.986 165 D CA 2.553 56.414 54.000 -0.231 0.000 0.847 165 D CB -0.229 40.170 40.800 -0.669 0.000 0.942 165 D HN -0.515 7.953 8.370 0.163 0.000 0.467 166 G N -4.297 104.458 108.800 -0.074 0.000 3.609 166 G HA2 0.145 4.066 3.960 -0.065 0.000 0.280 166 G HA3 0.145 4.216 3.960 0.185 0.000 0.280 166 G C -2.082 172.900 174.900 0.136 0.000 1.155 166 G CA -0.608 44.520 45.100 0.046 0.000 0.876 166 G HN 0.066 8.298 8.290 0.106 0.122 0.535 167 L N -0.966 120.317 121.223 0.100 0.000 2.445 167 L HA 0.584 5.144 4.340 0.076 -0.174 0.262 167 L C -2.710 174.153 176.870 -0.012 0.000 0.974 167 L CA 0.010 54.898 54.840 0.080 0.000 0.822 167 L CB 3.535 45.691 42.059 0.161 0.000 1.339 167 L HN -0.380 7.708 8.230 0.062 0.179 0.409 168 E N 2.727 122.890 120.200 -0.061 0.000 2.263 168 E HA 0.364 4.640 4.350 -0.123 0.000 0.264 168 E C -1.861 174.578 176.600 -0.268 0.000 0.923 168 E CA -1.678 54.648 56.400 -0.124 0.000 0.802 168 E CB 4.048 33.714 29.700 -0.057 0.000 1.228 168 E HN 0.931 9.157 8.360 -0.039 0.111 0.417 169 M N -0.048 119.368 119.600 -0.307 0.000 2.664 169 M HA 0.743 5.140 4.480 -0.536 -0.239 0.314 169 M C -1.350 174.793 176.300 -0.262 0.000 1.200 169 M CA -1.220 53.829 55.300 -0.417 0.000 0.916 169 M CB 4.195 36.491 32.600 -0.507 0.000 1.717 169 M HN 0.216 8.366 8.290 -0.233 0.000 0.470 170 E N -2.334 117.724 120.200 -0.237 0.000 2.343 170 E HA 0.335 4.600 4.350 -0.142 0.000 0.288 170 E C -2.018 174.510 176.600 -0.120 0.000 0.907 170 E CA -0.606 55.701 56.400 -0.156 0.000 0.792 170 E CB 2.187 31.804 29.700 -0.139 0.000 1.275 170 E HN 0.248 8.439 8.360 -0.282 0.000 0.402 171 K N 6.628 126.972 120.400 -0.094 0.000 2.284 171 K HA 0.188 4.631 4.320 -0.060 -0.160 0.287 171 K C -0.175 176.394 176.600 -0.052 0.000 1.081 171 K CA 0.194 56.442 56.287 -0.065 0.000 0.910 171 K CB 0.251 32.719 32.500 -0.054 0.000 1.088 171 K HN 0.490 8.683 8.250 -0.095 0.000 0.478 172 C N 7.101 126.376 119.300 -0.042 0.000 2.654 172 C HA 0.177 4.617 4.460 -0.033 0.000 0.315 172 C C -0.003 174.974 174.990 -0.022 0.000 1.054 172 C CA -0.474 58.524 59.018 -0.033 0.000 1.419 172 C CB 0.239 27.958 27.740 -0.036 0.000 1.889 172 C HN 0.519 8.725 8.230 -0.040 0.000 0.447 173 L N 3.332 124.543 121.223 -0.020 0.000 2.095 173 L HA -0.146 4.186 4.340 -0.013 0.000 0.204 173 L C 0.273 177.137 176.870 -0.011 0.000 1.080 173 L CA 1.953 56.784 54.840 -0.014 0.000 0.759 173 L CB 0.201 42.252 42.059 -0.014 0.000 0.914 173 L HN 0.324 8.541 8.230 -0.022 0.000 0.439 174 E N 0.000 120.193 120.200 -0.012 0.000 2.725 174 E HA 0.000 4.346 4.350 -0.007 0.000 0.291 174 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 174 E CB 0.000 29.694 29.700 -0.009 0.000 0.812 174 E HN 0.000 8.351 8.360 -0.015 0.000 0.440