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 2jri_1_A DATA FIRST_RESID 1 DATA SEQUENCE MESIFHEKQE GSLCAQHCLN NLLQGEYFSP VELSSIAHQL DEEERMRMAE DATA SEQUENCE GGVTSEDYRT FLQQPSGNMD DSGFFSIQVI SNALKVWGLE LILFNSPEYQ DATA SEQUENCE RLRIDPINER SFICNYKEHW FTVRKLGKQW FNLNSLLTGP ELISDTYLAL DATA SEQUENCE FLAQLQQEGY SIFVVKGDLP DCEADQLLQM IR 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 4.451 4.480 -0.048 0.000 0.227 1 M C 0.000 176.276 176.300 -0.039 0.000 1.140 1 M CA 0.000 55.279 55.300 -0.036 0.000 0.988 1 M CB 0.000 32.586 32.600 -0.023 0.000 1.302 2 E N 0.278 120.446 120.200 -0.052 0.000 2.066 2 E HA 0.098 4.420 4.350 -0.048 0.000 0.207 2 E C 0.353 176.901 176.600 -0.086 0.000 0.937 2 E CA 0.103 56.468 56.400 -0.059 0.000 0.906 2 E CB 0.782 30.448 29.700 -0.057 0.000 0.986 2 E HN 0.176 8.502 8.360 -0.057 0.000 0.490 3 S N 1.641 117.273 115.700 -0.113 0.000 2.464 3 S HA 0.180 4.530 4.470 -0.199 0.000 0.313 3 S C -1.137 173.331 174.600 -0.220 0.000 1.078 3 S CA 0.507 58.596 58.200 -0.185 0.000 1.096 3 S CB -0.251 62.837 63.200 -0.187 0.000 1.032 3 S HN -0.275 8.137 8.310 -0.096 -0.160 0.498 4 I N 2.687 123.127 120.570 -0.216 0.000 2.533 4 I HA 0.224 4.325 4.170 -0.114 0.000 0.290 4 I C -0.632 175.405 176.117 -0.133 0.000 1.056 4 I CA -0.805 60.413 61.300 -0.138 0.000 1.057 4 I CB 3.821 41.790 38.000 -0.051 0.000 1.240 4 I HN -0.437 7.658 8.210 -0.192 0.000 0.423 5 F N 7.370 127.335 119.950 0.026 0.000 2.662 5 F HA -0.050 4.507 4.527 0.051 0.000 0.343 5 F C -0.946 174.949 175.800 0.158 0.000 1.302 5 F CA -0.034 58.003 58.000 0.062 0.000 1.142 5 F CB -1.358 37.660 39.000 0.030 0.000 1.524 5 F HN 0.545 9.009 8.300 0.273 0.000 0.668 6 H N 5.747 124.894 119.070 0.128 0.000 2.680 6 H HA 0.158 4.831 4.556 0.194 0.000 0.260 6 H C -1.048 174.337 175.328 0.095 0.000 1.328 6 H CA -1.232 54.894 56.048 0.129 0.000 1.269 6 H CB 0.048 29.853 29.762 0.071 0.000 1.446 6 H HN -0.103 8.273 8.280 0.200 0.025 0.527 7 E N 5.841 126.102 120.200 0.102 0.000 2.283 7 E HA 0.109 4.388 4.350 -0.119 0.000 0.271 7 E C -1.195 175.192 176.600 -0.355 0.000 1.031 7 E CA -1.197 55.142 56.400 -0.102 0.000 0.868 7 E CB 1.539 31.239 29.700 -0.000 0.000 1.094 7 E HN -0.148 8.398 8.360 0.309 0.000 0.401 8 K N 1.287 121.494 120.400 -0.322 0.000 2.371 8 K HA 0.243 4.322 4.320 -0.401 0.000 0.251 8 K C -1.334 175.132 176.600 -0.224 0.000 0.934 8 K CA -0.534 55.566 56.287 -0.313 0.000 0.798 8 K CB 1.108 33.467 32.500 -0.234 0.000 1.204 8 K HN 0.047 8.161 8.250 -0.226 0.000 0.427 9 Q N 2.080 121.765 119.800 -0.192 0.000 2.633 9 Q HA 0.177 4.474 4.340 -0.072 0.000 0.289 9 Q C -2.302 173.673 176.000 -0.041 0.000 0.940 9 Q CA -0.335 55.410 55.803 -0.097 0.000 0.785 9 Q CB 2.451 31.139 28.738 -0.083 0.000 1.467 9 Q HN 0.211 8.359 8.270 -0.203 0.000 0.401 10 E N -0.442 119.751 120.200 -0.012 0.000 2.390 10 E HA 0.013 4.377 4.350 0.023 0.000 0.280 10 E C -0.696 175.909 176.600 0.009 0.000 0.992 10 E CA -0.284 56.121 56.400 0.009 0.000 0.790 10 E CB 1.919 31.625 29.700 0.010 0.000 1.248 10 E HN 0.389 8.741 8.360 -0.013 0.000 0.447 11 G N 3.157 111.962 108.800 0.009 0.000 2.799 11 G HA2 -0.292 3.665 3.960 -0.005 0.000 0.271 11 G HA3 -0.292 3.669 3.960 0.002 0.000 0.271 11 G C -0.923 173.977 174.900 0.000 0.000 1.067 11 G CA -0.024 45.077 45.100 0.001 0.000 1.251 11 G HN 0.327 8.626 8.290 0.014 0.000 0.560 12 S N 0.804 116.496 115.700 -0.014 0.000 3.585 12 S HA -0.380 4.059 4.470 -0.051 0.000 0.638 12 S C 0.075 174.693 174.600 0.029 0.000 2.340 12 S CA 0.574 58.766 58.200 -0.014 0.000 2.517 12 S CB 0.503 63.697 63.200 -0.010 0.000 0.329 12 S HN -0.108 8.186 8.310 -0.026 0.000 1.795 13 L N -3.994 117.269 121.223 0.065 0.000 4.001 13 L HA -0.372 4.284 4.340 0.167 -0.215 0.413 13 L C 1.897 178.844 176.870 0.128 0.000 1.185 13 L CA 0.924 55.835 54.840 0.118 0.000 0.963 13 L CB -2.058 40.060 42.059 0.097 0.000 1.976 13 L HN 0.379 8.644 8.230 0.058 0.000 0.939 14 C N -0.992 118.372 119.300 0.107 0.000 2.411 14 C HA -0.402 4.131 4.460 0.121 0.000 0.279 14 C C 1.846 176.909 174.990 0.121 0.000 1.288 14 C CA 2.942 62.019 59.018 0.099 0.000 1.764 14 C CB -1.229 26.507 27.740 -0.006 0.000 1.974 14 C HN 0.212 8.453 8.230 0.077 0.035 0.498 15 A N -1.680 121.230 122.820 0.150 0.000 2.019 15 A HA -0.362 3.953 4.320 -0.008 0.000 0.219 15 A C 1.180 178.794 177.584 0.051 0.000 1.164 15 A CA 2.697 54.778 52.037 0.074 0.000 0.644 15 A CB -1.105 17.973 19.000 0.130 0.000 0.805 15 A HN 0.438 8.703 8.150 0.230 0.023 0.449 16 Q N -2.561 117.308 119.800 0.113 0.000 2.291 16 Q HA -0.284 4.097 4.340 0.070 0.000 0.205 16 Q C 2.045 178.142 176.000 0.162 0.000 0.970 16 Q CA 2.861 58.730 55.803 0.111 0.000 0.876 16 Q CB 0.166 28.977 28.738 0.122 0.000 0.935 16 Q HN -0.230 7.974 8.270 0.149 0.155 0.455 17 H N -0.401 118.698 119.070 0.049 0.000 2.553 17 H HA 0.009 4.607 4.556 0.071 0.000 0.276 17 H C 1.540 176.902 175.328 0.056 0.000 0.979 17 H CA 1.521 57.607 56.048 0.064 0.000 1.268 17 H CB 0.829 30.637 29.762 0.076 0.000 1.450 17 H HN -0.363 7.879 8.280 0.215 0.167 0.527 18 C N 0.293 119.590 119.300 -0.004 0.000 2.432 18 C HA -0.286 4.104 4.460 -0.115 0.000 0.277 18 C C 1.998 176.925 174.990 -0.104 0.000 1.249 18 C CA 2.979 61.953 59.018 -0.073 0.000 1.725 18 C CB -1.161 26.556 27.740 -0.038 0.000 2.028 18 C HN -0.294 7.887 8.230 0.066 0.089 0.477 19 L N -1.708 119.422 121.223 -0.155 0.000 2.109 19 L HA -0.196 3.898 4.340 -0.409 0.000 0.207 19 L C 1.930 178.775 176.870 -0.042 0.000 1.086 19 L CA 3.289 57.924 54.840 -0.342 0.000 0.760 19 L CB -0.298 41.344 42.059 -0.693 0.000 0.910 19 L HN 0.144 8.303 8.230 -0.117 0.000 0.437 20 N N -1.405 117.338 118.700 0.072 0.000 2.364 20 N HA -0.317 4.763 4.740 0.214 -0.212 0.183 20 N C 0.145 175.715 175.510 0.100 0.000 1.022 20 N CA 2.559 55.708 53.050 0.165 0.000 0.883 20 N CB 0.101 38.735 38.487 0.244 0.000 0.965 20 N HN -0.483 7.859 8.380 0.052 0.069 0.438 21 N N -1.968 116.744 118.700 0.020 0.000 2.365 21 N HA 0.172 4.921 4.740 0.015 0.000 0.257 21 N C -1.085 174.407 175.510 -0.030 0.000 1.287 21 N CA -0.959 52.083 53.050 -0.014 0.000 0.882 21 N CB 1.653 40.091 38.487 -0.081 0.000 1.250 21 N HN -0.604 7.595 8.380 -0.022 0.168 0.507 22 L N 0.886 122.104 121.223 -0.009 0.000 2.013 22 L HA -0.055 4.282 4.340 -0.005 0.000 0.204 22 L C 0.910 177.775 176.870 -0.008 0.000 1.081 22 L CA 2.536 57.375 54.840 -0.003 0.000 0.751 22 L CB 0.300 42.350 42.059 -0.014 0.000 0.901 22 L HN -0.355 7.723 8.230 0.021 0.165 0.440 23 L N -4.821 116.396 121.223 -0.010 0.000 2.922 23 L HA -0.041 4.255 4.340 -0.073 0.000 0.244 23 L C -0.180 176.619 176.870 -0.119 0.000 1.324 23 L CA -0.462 54.325 54.840 -0.087 0.000 1.172 23 L CB -2.305 39.642 42.059 -0.186 0.000 1.545 23 L HN 0.302 8.566 8.230 0.058 0.000 0.438 24 Q N -4.156 115.588 119.800 -0.094 0.000 2.816 24 Q HA -0.457 3.833 4.340 -0.084 0.000 0.176 24 Q C -0.311 175.643 176.000 -0.077 0.000 2.348 24 Q CA 2.248 57.995 55.803 -0.092 0.000 0.831 24 Q CB -0.698 27.974 28.738 -0.111 0.000 0.775 24 Q HN 0.168 8.272 8.270 -0.070 0.124 0.809 25 G N -3.925 104.742 108.800 -0.221 0.000 2.816 25 G HA2 0.197 3.927 3.960 -0.383 0.000 0.288 25 G HA3 0.197 3.609 3.960 -0.913 0.000 0.288 25 G C -3.125 171.361 174.900 -0.691 0.000 1.334 25 G CA -0.938 43.790 45.100 -0.621 0.000 0.978 25 G HN -0.319 7.704 8.290 -0.218 0.136 0.493 26 E N -1.924 117.542 120.200 -1.224 0.000 2.319 26 E HA 0.044 4.392 4.350 -0.163 -0.096 0.268 26 E C -1.239 175.078 176.600 -0.471 0.000 1.050 26 E CA -0.140 55.951 56.400 -0.515 0.000 0.878 26 E CB 1.018 30.583 29.700 -0.225 0.000 1.066 26 E HN -0.053 6.647 8.360 -2.767 0.000 0.406 27 Y N 0.484 120.657 120.300 -0.210 0.000 2.728 27 Y HA -0.048 4.408 4.550 -0.157 0.000 0.320 27 Y C -0.708 175.094 175.900 -0.164 0.000 0.900 27 Y CA 0.179 58.130 58.100 -0.248 0.000 0.942 27 Y CB 1.111 39.272 38.460 -0.499 0.000 1.426 27 Y HN 0.053 8.392 8.280 0.099 0.000 0.566 28 F N 0.855 120.933 119.950 0.213 0.000 2.139 28 F HA 0.356 5.159 4.527 0.226 -0.140 0.273 28 F C 0.513 176.383 175.800 0.117 0.000 1.058 28 F CA -0.128 57.976 58.000 0.174 0.000 1.149 28 F CB 1.528 40.597 39.000 0.116 0.000 1.739 28 F HN -0.533 8.146 8.300 0.366 -0.159 0.536 29 S N -3.948 111.941 115.700 0.314 0.000 2.552 29 S HA 0.360 4.928 4.470 0.164 0.000 0.272 29 S C -2.326 172.343 174.600 0.116 0.000 1.150 29 S CA -1.942 56.362 58.200 0.173 0.000 0.849 29 S CB 0.468 63.745 63.200 0.128 0.000 1.113 29 S HN -0.434 8.198 8.310 0.381 -0.092 0.458 30 P HA -0.095 4.367 4.420 0.070 0.000 0.215 30 P C 1.302 178.627 177.300 0.042 0.000 1.153 30 P CA 2.212 65.355 63.100 0.071 0.000 0.853 30 P CB -0.244 31.504 31.700 0.080 0.000 0.788 31 V N -6.989 112.951 119.914 0.043 0.000 2.759 31 V HA -0.208 3.930 4.120 0.031 0.000 0.256 31 V C 1.447 177.536 176.094 -0.008 0.000 1.080 31 V CA 2.334 64.648 62.300 0.024 0.000 1.101 31 V CB -0.597 31.241 31.823 0.026 0.000 0.698 31 V HN -0.244 7.979 8.190 0.054 0.000 0.477 32 E N -0.048 120.155 120.200 0.005 0.000 2.204 32 E HA -0.242 4.105 4.350 -0.005 0.000 0.194 32 E C 1.698 178.236 176.600 -0.103 0.000 0.989 32 E CA 2.389 58.788 56.400 -0.002 0.000 0.824 32 E CB -0.313 29.443 29.700 0.094 0.000 0.756 32 E HN -0.733 7.497 8.360 0.037 0.152 0.477 33 L N -2.495 118.602 121.223 -0.209 0.000 2.127 33 L HA -0.311 3.711 4.340 -0.530 0.000 0.211 33 L C 2.294 178.746 176.870 -0.697 0.000 1.089 33 L CA 2.699 57.191 54.840 -0.579 0.000 0.757 33 L CB -0.219 41.383 42.059 -0.762 0.000 0.899 33 L HN -0.513 7.504 8.230 -0.126 0.137 0.434 34 S N -3.338 112.173 115.700 -0.315 0.000 2.478 34 S HA 0.053 4.471 4.470 -0.088 0.000 0.222 34 S C 1.602 176.177 174.600 -0.042 0.000 1.008 34 S CA 1.852 59.991 58.200 -0.103 0.000 0.928 34 S CB -0.305 62.918 63.200 0.039 0.000 0.781 34 S HN -0.518 7.557 8.310 -0.191 0.120 0.518 35 S N 2.652 118.313 115.700 -0.064 0.000 2.356 35 S HA -0.131 4.340 4.470 0.002 0.000 0.219 35 S C 1.371 175.969 174.600 -0.002 0.000 1.036 35 S CA 3.156 61.345 58.200 -0.018 0.000 0.965 35 S CB 0.055 63.240 63.200 -0.025 0.000 0.864 35 S HN -0.802 7.277 8.310 -0.097 0.172 0.471 36 I N -3.489 117.051 120.570 -0.051 0.000 2.493 36 I HA -0.271 3.889 4.170 -0.017 0.000 0.254 36 I C 1.152 177.240 176.117 -0.048 0.000 1.160 36 I CA 3.056 64.330 61.300 -0.043 0.000 1.445 36 I CB -0.407 37.564 38.000 -0.048 0.000 1.086 36 I HN 0.231 8.391 8.210 -0.083 0.000 0.433 37 A N -1.341 121.429 122.820 -0.083 0.000 1.968 37 A HA -0.271 4.021 4.320 -0.047 0.000 0.217 37 A C 1.123 178.729 177.584 0.035 0.000 1.169 37 A CA 2.244 54.259 52.037 -0.038 0.000 0.638 37 A CB -0.511 18.464 19.000 -0.042 0.000 0.812 37 A HN -0.591 7.451 8.150 -0.145 0.021 0.446 38 H N -2.275 116.781 119.070 -0.022 0.000 2.547 38 H HA -0.147 4.456 4.556 0.017 -0.037 0.272 38 H C 1.387 176.715 175.328 -0.000 0.000 0.989 38 H CA 2.509 58.557 56.048 0.001 0.000 1.214 38 H CB 0.393 30.157 29.762 0.003 0.000 1.389 38 H HN -0.552 7.683 8.280 0.133 0.125 0.577 39 Q N -1.014 118.810 119.800 0.040 0.000 2.079 39 Q HA -0.222 4.138 4.340 0.033 0.000 0.200 39 Q C 2.318 178.301 176.000 -0.029 0.000 0.974 39 Q CA 2.963 58.772 55.803 0.010 0.000 0.840 39 Q CB -0.688 28.052 28.738 0.004 0.000 0.898 39 Q HN -0.526 7.587 8.270 0.045 0.184 0.430 40 L N -1.661 119.540 121.223 -0.037 0.000 2.056 40 L HA -0.361 3.967 4.340 -0.019 0.000 0.207 40 L C 1.771 178.604 176.870 -0.063 0.000 1.078 40 L CA 3.244 58.064 54.840 -0.034 0.000 0.749 40 L CB -0.578 41.471 42.059 -0.017 0.000 0.901 40 L HN -0.657 7.556 8.230 -0.029 0.000 0.433 41 D N -0.289 120.023 120.400 -0.147 0.000 2.117 41 D HA -0.353 4.222 4.640 -0.109 0.000 0.197 41 D C 2.216 178.392 176.300 -0.208 0.000 0.987 41 D CA 3.882 57.742 54.000 -0.232 0.000 0.829 41 D CB -0.016 40.466 40.800 -0.530 0.000 0.961 41 D HN -0.631 7.571 8.370 -0.157 0.074 0.460 42 E N -0.060 120.015 120.200 -0.208 0.000 2.058 42 E HA -0.360 3.957 4.350 -0.054 0.000 0.194 42 E C 2.101 178.685 176.600 -0.028 0.000 0.997 42 E CA 3.248 59.607 56.400 -0.069 0.000 0.801 42 E CB -0.051 29.655 29.700 0.010 0.000 0.746 42 E HN 0.101 8.132 8.360 -0.239 0.186 0.450 43 E N -1.359 118.826 120.200 -0.026 0.000 2.072 43 E HA -0.308 4.038 4.350 -0.006 0.000 0.190 43 E C 2.362 178.956 176.600 -0.009 0.000 0.982 43 E CA 2.725 59.118 56.400 -0.011 0.000 0.803 43 E CB 0.006 29.701 29.700 -0.009 0.000 0.755 43 E HN -0.673 7.666 8.360 -0.035 0.000 0.453 44 E N -0.888 119.307 120.200 -0.007 0.000 2.110 44 E HA -0.298 4.048 4.350 -0.008 0.000 0.193 44 E C 2.598 179.207 176.600 0.015 0.000 0.988 44 E CA 2.658 59.063 56.400 0.009 0.000 0.804 44 E CB -0.496 29.237 29.700 0.055 0.000 0.745 44 E HN 0.175 8.416 8.360 -0.016 0.109 0.458 45 R N -0.838 119.675 120.500 0.022 0.000 2.080 45 R HA -0.291 4.098 4.340 0.081 0.000 0.236 45 R C 2.714 179.033 176.300 0.031 0.000 1.137 45 R CA 3.692 59.819 56.100 0.044 0.000 0.943 45 R CB 0.122 30.442 30.300 0.033 0.000 0.846 45 R HN 0.279 8.429 8.270 -0.002 0.119 0.431 46 M N -3.060 116.549 119.600 0.016 0.000 2.279 46 M HA -0.281 4.209 4.480 0.016 0.000 0.264 46 M C 1.908 178.208 176.300 0.000 0.000 1.062 46 M CA 3.379 58.686 55.300 0.011 0.000 1.099 46 M CB -0.365 32.239 32.600 0.007 0.000 1.394 46 M HN -0.662 7.634 8.290 0.011 0.000 0.426 47 R N 0.975 121.469 120.500 -0.010 0.000 2.062 47 R HA -0.222 4.105 4.340 -0.021 0.000 0.229 47 R C 2.045 178.319 176.300 -0.043 0.000 1.128 47 R CA 3.071 59.155 56.100 -0.027 0.000 0.960 47 R CB 0.304 30.582 30.300 -0.036 0.000 0.855 47 R HN -0.304 7.847 8.270 -0.007 0.114 0.432 48 M N -2.463 117.104 119.600 -0.056 0.000 2.394 48 M HA -0.144 4.257 4.480 -0.131 0.000 0.264 48 M C 1.402 177.705 176.300 0.004 0.000 1.073 48 M CA 2.176 57.425 55.300 -0.085 0.000 1.111 48 M CB -0.555 31.956 32.600 -0.148 0.000 1.401 48 M HN 0.505 8.655 8.290 -0.041 0.116 0.448 49 A N -1.822 121.015 122.820 0.028 0.000 1.898 49 A HA -0.211 4.164 4.320 0.092 0.000 0.216 49 A C 2.474 180.072 177.584 0.023 0.000 1.181 49 A CA 2.634 54.699 52.037 0.047 0.000 0.620 49 A CB -0.732 18.286 19.000 0.030 0.000 0.819 49 A HN -0.107 7.918 8.150 0.017 0.135 0.442 50 E N -1.549 118.654 120.200 0.005 0.000 2.086 50 E HA -0.066 4.283 4.350 -0.001 0.000 0.190 50 E C 2.211 178.808 176.600 -0.005 0.000 0.975 50 E CA 1.378 57.777 56.400 -0.002 0.000 0.813 50 E CB 0.661 30.357 29.700 -0.008 0.000 0.768 50 E HN -0.657 7.703 8.360 -0.000 0.000 0.457 51 G N 0.405 109.195 108.800 -0.018 0.000 3.639 51 G HA2 0.188 4.136 3.960 -0.020 0.000 0.279 51 G HA3 0.188 4.121 3.960 -0.045 0.000 0.279 51 G C -1.104 173.776 174.900 -0.034 0.000 1.312 51 G CA -0.969 44.114 45.100 -0.030 0.000 1.355 51 G HN -0.119 8.157 8.290 -0.024 0.000 0.595 52 G N -0.690 108.114 108.800 0.007 0.000 2.360 52 G HA2 -0.016 4.146 3.960 -0.005 0.000 0.279 52 G HA3 -0.016 4.016 3.960 0.119 0.000 0.279 52 G C -0.668 174.248 174.900 0.027 0.000 1.189 52 G CA -0.309 44.814 45.100 0.038 0.000 0.941 52 G HN -0.809 7.398 8.290 0.020 0.096 0.445 53 V N 6.751 126.658 119.914 -0.013 0.000 2.575 53 V HA -0.069 4.052 4.120 0.001 0.000 0.242 53 V C 0.401 176.499 176.094 0.005 0.000 1.045 53 V CA 1.077 63.372 62.300 -0.009 0.000 1.065 53 V CB 0.525 32.328 31.823 -0.032 0.000 0.717 53 V HN 0.529 9.085 8.190 -0.050 -0.396 0.467 54 T N -2.768 111.778 114.554 -0.014 0.000 2.724 54 T HA 0.322 4.674 4.350 0.004 0.000 0.274 54 T C -0.353 174.281 174.700 -0.110 0.000 0.984 54 T CA -1.957 60.126 62.100 -0.028 0.000 1.024 54 T CB 1.741 70.588 68.868 -0.035 0.000 1.320 54 T HN -0.457 8.270 8.240 -0.035 -0.509 0.555 55 S N -0.849 114.735 115.700 -0.192 0.000 2.446 55 S HA -0.094 3.839 4.470 -0.896 0.000 0.225 55 S C 1.353 175.503 174.600 -0.751 0.000 1.016 55 S CA 2.375 60.243 58.200 -0.554 0.000 0.943 55 S CB 0.039 63.123 63.200 -0.193 0.000 0.786 55 S HN 0.249 8.496 8.310 -0.105 0.000 0.508 56 E N 0.279 120.295 120.200 -0.308 0.000 2.268 56 E HA -0.227 4.018 4.350 -0.175 0.000 0.195 56 E C 1.432 178.024 176.600 -0.013 0.000 0.995 56 E CA 2.062 58.375 56.400 -0.145 0.000 0.836 56 E CB -0.733 28.961 29.700 -0.011 0.000 0.763 56 E HN 0.062 8.279 8.360 -0.192 0.028 0.491 57 D N -1.867 118.487 120.400 -0.076 0.000 2.103 57 D HA -0.295 4.456 4.640 0.184 0.000 0.190 57 D C 1.529 177.914 176.300 0.142 0.000 0.997 57 D CA 3.832 57.860 54.000 0.047 0.000 0.833 57 D CB -0.238 40.520 40.800 -0.069 0.000 0.961 57 D HN 0.290 8.511 8.370 -0.190 0.034 0.447 58 Y N -7.764 112.609 120.300 0.121 0.000 2.496 58 Y HA 0.123 4.736 4.550 0.106 0.000 0.313 58 Y C -0.301 175.655 175.900 0.093 0.000 1.184 58 Y CA -0.466 57.691 58.100 0.096 0.000 1.275 58 Y CB -1.277 37.214 38.460 0.052 0.000 1.103 58 Y HN -0.664 7.265 8.280 -0.585 0.000 0.513 59 R N 0.435 120.941 120.500 0.011 0.000 2.502 59 R HA 0.226 4.613 4.340 0.078 0.000 0.174 59 R C 1.342 177.639 176.300 -0.004 0.000 1.201 59 R CA 1.276 57.380 56.100 0.007 0.000 1.151 59 R CB 2.055 32.301 30.300 -0.090 0.000 1.202 59 R HN -0.235 7.797 8.270 -0.012 0.231 0.509 60 T N 2.058 116.574 114.554 -0.062 0.000 2.951 60 T HA -0.214 4.027 4.350 -0.181 0.000 0.268 60 T C 0.563 175.052 174.700 -0.350 0.000 1.073 60 T CA 4.170 66.126 62.100 -0.241 0.000 1.134 60 T CB 0.270 68.897 68.868 -0.403 0.000 0.884 60 T HN 0.228 8.341 8.240 -0.033 0.107 0.479 61 F N -2.994 116.941 119.950 -0.025 0.000 2.765 61 F HA 0.042 4.556 4.527 -0.022 0.000 0.302 61 F C 0.572 176.370 175.800 -0.003 0.000 1.111 61 F CA 0.987 58.977 58.000 -0.017 0.000 1.359 61 F CB -0.092 38.898 39.000 -0.017 0.000 1.097 61 F HN -0.792 7.643 8.300 0.260 0.021 0.577 62 L N -2.164 119.142 121.223 0.139 0.000 2.354 62 L HA -0.032 4.380 4.340 0.119 0.000 0.212 62 L C -0.192 176.722 176.870 0.073 0.000 1.091 62 L CA 1.271 56.180 54.840 0.115 0.000 0.828 62 L CB 0.962 43.103 42.059 0.137 0.000 0.973 62 L HN -0.913 7.188 8.230 0.108 0.194 0.461 63 Q N -2.166 117.655 119.800 0.035 0.000 3.064 63 Q HA 0.156 4.534 4.340 0.063 0.000 0.258 63 Q C -1.614 174.372 176.000 -0.023 0.000 0.972 63 Q CA -1.017 54.803 55.803 0.027 0.000 0.761 63 Q CB 0.363 29.118 28.738 0.028 0.000 1.281 63 Q HN -0.825 7.452 8.270 0.013 0.000 0.455 64 Q N 4.539 124.320 119.800 -0.032 0.000 2.337 64 Q HA 0.450 4.714 4.340 -0.126 0.000 0.255 64 Q C -2.258 173.727 176.000 -0.025 0.000 0.997 64 Q CA -2.883 52.877 55.803 -0.071 0.000 0.925 64 Q CB 0.634 29.326 28.738 -0.077 0.000 1.212 64 Q HN -0.572 7.875 8.270 -0.012 -0.185 0.436 65 P HA -0.119 4.428 4.420 -0.005 -0.129 0.266 65 P C 0.488 177.779 177.300 -0.014 0.000 1.193 65 P CA 0.635 63.720 63.100 -0.025 0.000 0.770 65 P CB 0.425 32.094 31.700 -0.051 0.000 0.836 66 S N 0.332 116.029 115.700 -0.006 0.000 1.707 66 S HA -0.420 4.068 4.470 -0.092 -0.074 0.235 66 S C 1.333 176.067 174.600 0.222 0.000 0.875 66 S CA 3.320 61.522 58.200 0.003 0.000 1.437 66 S CB -1.630 61.511 63.200 -0.097 0.000 1.819 66 S HN 0.431 8.737 8.310 -0.008 0.000 0.531 67 G N 1.703 110.586 108.800 0.138 0.000 2.422 67 G HA2 -0.165 3.889 3.960 0.156 0.000 0.218 67 G HA3 -0.165 3.835 3.960 0.066 0.000 0.218 67 G C -0.342 174.706 174.900 0.246 0.000 1.140 67 G CA 1.318 46.505 45.100 0.146 0.000 0.775 67 G HN 0.127 8.325 8.290 0.068 0.132 0.545 68 N N 0.750 119.593 118.700 0.238 0.000 2.839 68 N HA -0.113 4.848 4.740 0.368 0.000 0.314 68 N C -0.606 174.998 175.510 0.157 0.000 1.449 68 N CA -1.627 51.586 53.050 0.271 0.000 1.050 68 N CB -0.685 37.953 38.487 0.253 0.000 1.364 68 N HN -0.632 7.829 8.380 0.157 0.013 0.512 69 M N -0.478 119.248 119.600 0.209 0.000 4.047 69 M HA -0.449 4.238 4.480 0.346 0.000 0.157 69 M C -2.405 173.965 176.300 0.118 0.000 1.532 69 M CA 1.088 56.514 55.300 0.210 0.000 1.097 69 M CB 0.417 33.087 32.600 0.116 0.000 1.346 69 M HN -0.665 7.710 8.290 0.273 0.079 0.190 70 D N 4.089 124.506 120.400 0.028 0.000 2.283 70 D HA 0.096 4.639 4.640 -0.162 0.000 0.248 70 D C 0.110 176.340 176.300 -0.115 0.000 1.072 70 D CA -0.347 53.521 54.000 -0.219 0.000 0.929 70 D CB 1.967 42.316 40.800 -0.752 0.000 1.182 70 D HN 0.029 8.506 8.370 0.179 0.000 0.433 71 D N 2.535 122.872 120.400 -0.105 0.000 2.103 71 D HA -0.126 4.493 4.640 -0.035 0.000 0.199 71 D C 0.443 176.711 176.300 -0.055 0.000 0.978 71 D CA 2.523 56.489 54.000 -0.058 0.000 0.829 71 D CB 0.516 41.288 40.800 -0.046 0.000 0.981 71 D HN 0.350 8.644 8.370 -0.126 0.000 0.464 72 S N -1.392 114.263 115.700 -0.075 0.000 2.456 72 S HA 0.092 4.542 4.470 -0.033 0.000 0.224 72 S C 0.509 175.078 174.600 -0.052 0.000 1.035 72 S CA 0.042 58.212 58.200 -0.050 0.000 0.940 72 S CB 1.844 65.021 63.200 -0.038 0.000 0.799 72 S HN -0.483 7.943 8.310 -0.102 -0.177 0.508 73 G N -0.339 108.385 108.800 -0.128 0.000 2.186 73 G HA2 -0.230 3.636 3.960 -0.157 0.000 0.130 73 G HA3 -0.230 3.732 3.960 0.002 0.000 0.130 73 G C -2.484 172.340 174.900 -0.127 0.000 1.031 73 G CA -0.245 44.786 45.100 -0.114 0.000 0.697 73 G HN 0.263 8.906 8.290 -0.208 -0.478 0.494 74 F N 0.635 120.261 119.950 -0.540 0.000 2.520 74 F HA 0.519 4.903 4.527 -0.239 0.000 0.322 74 F C -2.980 172.403 175.800 -0.694 0.000 1.103 74 F CA -1.947 55.794 58.000 -0.432 0.000 0.926 74 F CB 2.856 41.706 39.000 -0.249 0.000 1.154 74 F HN -0.299 8.169 8.300 -0.384 -0.399 0.453 75 F N 3.068 122.506 119.950 -0.854 0.000 2.551 75 F HA 0.257 4.422 4.527 -0.603 0.000 0.316 75 F C -0.922 174.229 175.800 -1.081 0.000 1.089 75 F CA -1.690 55.855 58.000 -0.759 0.000 0.915 75 F CB 4.160 42.937 39.000 -0.371 0.000 1.186 75 F HN -0.090 7.905 8.300 -0.508 0.000 0.456 76 S N 2.208 117.596 115.700 -0.519 0.000 2.298 76 S HA 0.195 4.452 4.470 -0.356 0.000 0.245 76 S C 1.378 175.929 174.600 -0.080 0.000 1.230 76 S CA -0.642 57.402 58.200 -0.261 0.000 1.009 76 S CB 1.426 64.602 63.200 -0.039 0.000 1.019 76 S HN 0.045 8.315 8.310 -0.325 -0.155 0.459 77 I N -4.436 116.182 120.570 0.079 0.000 2.850 77 I HA -0.253 3.874 4.170 -0.070 0.000 0.266 77 I C 0.877 176.947 176.117 -0.079 0.000 1.257 77 I CA 2.009 63.278 61.300 -0.051 0.000 1.465 77 I CB -1.266 36.635 38.000 -0.164 0.000 1.091 77 I HN 0.230 8.535 8.210 0.158 0.000 0.467 78 Q N 0.301 120.071 119.800 -0.049 0.000 2.181 78 Q HA -0.259 4.063 4.340 -0.030 0.000 0.205 78 Q C 1.554 177.514 176.000 -0.067 0.000 0.980 78 Q CA 2.747 58.526 55.803 -0.039 0.000 0.862 78 Q CB -0.346 28.386 28.738 -0.009 0.000 0.905 78 Q HN -0.306 7.873 8.270 -0.036 0.070 0.429 79 V N -6.870 112.980 119.914 -0.106 0.000 3.471 79 V HA 0.150 4.185 4.120 -0.142 0.000 0.258 79 V C 0.590 176.598 176.094 -0.144 0.000 1.192 79 V CA 0.480 62.683 62.300 -0.160 0.000 1.116 79 V CB 0.736 32.391 31.823 -0.280 0.000 0.792 79 V HN -0.611 7.492 8.190 -0.105 0.024 0.459 80 I N 3.033 123.525 120.570 -0.130 0.000 2.235 80 I HA -0.327 3.768 4.170 -0.125 0.000 0.241 80 I C 1.827 177.907 176.117 -0.061 0.000 1.085 80 I CA 2.323 63.558 61.300 -0.108 0.000 1.378 80 I CB -1.311 36.624 38.000 -0.109 0.000 1.076 80 I HN -0.807 7.204 8.210 -0.127 0.123 0.415 81 S N -0.342 115.314 115.700 -0.072 0.000 2.399 81 S HA -0.423 4.041 4.470 -0.010 0.000 0.231 81 S C 1.849 176.455 174.600 0.010 0.000 1.022 81 S CA 3.414 61.597 58.200 -0.027 0.000 0.983 81 S CB -0.236 62.942 63.200 -0.037 0.000 0.803 81 S HN 0.229 8.476 8.310 -0.105 0.000 0.480 82 N N 0.876 119.574 118.700 -0.003 0.000 2.250 82 N HA -0.139 4.615 4.740 0.023 0.000 0.181 82 N C 1.106 176.660 175.510 0.073 0.000 1.017 82 N CA 2.662 55.723 53.050 0.018 0.000 0.866 82 N CB 0.071 38.551 38.487 -0.011 0.000 0.985 82 N HN -0.464 7.877 8.380 -0.032 0.019 0.429 83 A N 1.060 123.928 122.820 0.080 0.000 1.883 83 A HA -0.297 4.233 4.320 0.349 0.000 0.217 83 A C 1.825 179.661 177.584 0.420 0.000 1.186 83 A CA 3.094 55.278 52.037 0.244 0.000 0.624 83 A CB -0.385 18.600 19.000 -0.023 0.000 0.822 83 A HN -0.232 7.819 8.150 0.005 0.102 0.444 84 L N -3.758 117.619 121.223 0.256 0.000 2.156 84 L HA -0.214 4.347 4.340 0.368 0.000 0.208 84 L C 2.218 179.226 176.870 0.230 0.000 1.095 84 L CA 1.921 56.922 54.840 0.267 0.000 0.770 84 L CB -1.527 40.630 42.059 0.163 0.000 0.914 84 L HN -0.427 7.891 8.230 0.146 0.000 0.439 85 K N 0.415 120.904 120.400 0.149 0.000 2.057 85 K HA -0.238 4.258 4.320 0.090 -0.122 0.207 85 K C 2.584 179.225 176.600 0.068 0.000 1.049 85 K CA 3.327 59.669 56.287 0.093 0.000 0.931 85 K CB -0.060 32.472 32.500 0.054 0.000 0.714 85 K HN -0.655 7.571 8.250 0.130 0.102 0.440 86 V N -6.411 113.531 119.914 0.046 0.000 2.970 86 V HA -0.236 3.826 4.120 -0.096 0.000 0.260 86 V C 1.057 177.029 176.094 -0.204 0.000 1.100 86 V CA 2.525 64.764 62.300 -0.102 0.000 1.122 86 V CB -0.254 31.459 31.823 -0.183 0.000 0.721 86 V HN -0.290 7.956 8.190 0.094 0.000 0.483 87 W N -0.249 121.044 121.300 -0.011 0.000 2.942 87 W HA 0.109 4.712 4.660 -0.095 0.000 0.263 87 W C 0.354 176.856 176.519 -0.027 0.000 1.296 87 W CA 0.675 57.990 57.345 -0.049 0.000 1.504 87 W CB 0.760 30.194 29.460 -0.044 0.000 1.096 87 W HN -0.677 7.509 8.180 0.276 0.159 0.639 88 G N -2.519 106.391 108.800 0.182 0.000 2.135 88 G HA2 -0.318 3.690 3.960 0.080 0.000 0.183 88 G HA3 -0.318 3.707 3.960 0.109 0.000 0.183 88 G C -1.298 173.675 174.900 0.123 0.000 1.004 88 G CA -0.238 44.934 45.100 0.119 0.000 0.677 88 G HN -0.511 7.731 8.290 0.171 0.151 0.512 89 L N -1.742 119.569 121.223 0.147 0.000 2.330 89 L HA 0.608 5.085 4.340 0.104 -0.075 0.271 89 L C -1.924 175.010 176.870 0.107 0.000 1.013 89 L CA -1.971 52.943 54.840 0.123 0.000 0.816 89 L CB 1.349 43.488 42.059 0.133 0.000 1.287 89 L HN -0.043 8.196 8.230 0.183 0.100 0.435 90 E N 0.258 120.514 120.200 0.093 0.000 2.212 90 E HA 0.300 4.696 4.350 0.076 0.000 0.270 90 E C -1.736 174.912 176.600 0.080 0.000 0.956 90 E CA -2.352 54.095 56.400 0.079 0.000 0.825 90 E CB 3.333 33.076 29.700 0.071 0.000 1.167 90 E HN -0.069 8.347 8.360 0.092 0.000 0.400 91 L N 4.644 125.906 121.223 0.065 0.000 2.287 91 L HA 0.592 5.174 4.340 0.115 -0.173 0.287 91 L C -0.921 175.959 176.870 0.017 0.000 1.022 91 L CA -0.731 54.157 54.840 0.080 0.000 0.814 91 L CB 1.786 43.894 42.059 0.081 0.000 1.217 91 L HN 0.326 8.589 8.230 0.054 0.000 0.420 92 I N 6.998 127.576 120.570 0.012 0.000 2.441 92 I HA 0.238 4.177 4.170 -0.385 0.000 0.295 92 I C -1.570 174.511 176.117 -0.059 0.000 0.994 92 I CA -2.661 58.542 61.300 -0.162 0.000 1.144 92 I CB 2.194 40.125 38.000 -0.115 0.000 1.314 92 I HN 1.109 9.251 8.210 0.084 0.119 0.445 93 L N 5.639 126.741 121.223 -0.201 0.000 2.278 93 L HA 0.138 4.677 4.340 0.065 -0.160 0.287 93 L C -0.531 176.379 176.870 0.066 0.000 1.072 93 L CA -0.157 54.676 54.840 -0.011 0.000 0.819 93 L CB -1.507 40.564 42.059 0.020 0.000 1.176 93 L HN 0.485 8.376 8.230 -0.566 0.000 0.435 94 F N 4.718 124.606 119.950 -0.103 0.000 2.695 94 F HA 0.049 4.548 4.527 -0.047 0.000 0.303 94 F C -0.699 175.037 175.800 -0.107 0.000 1.091 94 F CA -0.413 57.527 58.000 -0.101 0.000 1.300 94 F CB 1.602 40.502 39.000 -0.168 0.000 1.071 94 F HN 0.596 8.966 8.300 0.117 0.000 0.578 95 N N -2.105 116.549 118.700 -0.077 0.000 2.454 95 N HA -0.102 4.543 4.740 -0.158 0.000 0.177 95 N C -0.336 175.113 175.510 -0.101 0.000 1.049 95 N CA 0.598 53.576 53.050 -0.120 0.000 0.887 95 N CB 1.060 39.477 38.487 -0.116 0.000 1.095 95 N HN -0.317 7.977 8.380 -0.043 0.061 0.446 96 S N 2.209 117.882 115.700 -0.045 0.000 2.481 96 S HA 0.374 4.832 4.470 -0.021 0.000 0.276 96 S C -0.950 173.639 174.600 -0.019 0.000 1.247 96 S CA -1.147 57.050 58.200 -0.005 0.000 1.053 96 S CB -0.475 62.764 63.200 0.065 0.000 0.925 96 S HN -0.469 7.826 8.310 -0.024 0.000 0.491 97 P HA -0.159 4.365 4.420 -0.101 -0.165 0.217 97 P C 1.168 178.440 177.300 -0.047 0.000 1.151 97 P CA 2.345 65.407 63.100 -0.064 0.000 0.849 97 P CB 0.225 31.892 31.700 -0.056 0.000 0.787 98 E N -4.456 115.733 120.200 -0.018 0.000 2.401 98 E HA -0.216 4.090 4.350 -0.073 0.000 0.199 98 E C 0.617 177.163 176.600 -0.089 0.000 1.023 98 E CA 2.318 58.690 56.400 -0.047 0.000 0.859 98 E CB -0.928 28.757 29.700 -0.026 0.000 0.780 98 E HN 0.495 8.832 8.360 -0.000 0.023 0.523 99 Y N -1.190 119.084 120.300 -0.043 0.000 2.652 99 Y HA 0.103 4.649 4.550 -0.006 0.000 0.275 99 Y C 1.159 177.012 175.900 -0.078 0.000 1.133 99 Y CA 1.056 59.141 58.100 -0.025 0.000 1.246 99 Y CB 2.311 40.781 38.460 0.017 0.000 1.334 99 Y HN -0.116 8.040 8.280 0.102 0.185 0.493 100 Q N 1.649 121.442 119.800 -0.012 0.000 2.248 100 Q HA -0.442 3.587 4.340 -0.519 0.000 0.208 100 Q C 1.941 177.794 176.000 -0.245 0.000 0.984 100 Q CA 3.725 59.334 55.803 -0.323 0.000 0.875 100 Q CB -0.075 28.413 28.738 -0.417 0.000 0.910 100 Q HN 0.688 8.847 8.270 0.005 0.114 0.433 101 R N -2.857 117.573 120.500 -0.116 0.000 2.303 101 R HA -0.258 4.020 4.340 -0.104 0.000 0.225 101 R C 1.490 177.769 176.300 -0.035 0.000 1.114 101 R CA 1.866 57.915 56.100 -0.084 0.000 1.007 101 R CB -0.726 29.530 30.300 -0.073 0.000 0.861 101 R HN -0.646 7.525 8.270 -0.086 0.047 0.471 102 L N -6.148 115.087 121.223 0.020 0.000 2.131 102 L HA -0.089 4.281 4.340 0.049 0.000 0.210 102 L C 0.574 177.496 176.870 0.087 0.000 1.092 102 L CA 0.984 55.872 54.840 0.079 0.000 0.759 102 L CB -0.446 41.717 42.059 0.172 0.000 0.903 102 L HN -0.370 7.815 8.230 0.033 0.065 0.435 103 R N -3.056 117.496 120.500 0.087 0.000 3.059 103 R HA -0.423 4.001 4.340 0.140 0.000 0.251 103 R C -1.594 174.799 176.300 0.156 0.000 0.886 103 R CA 0.581 56.749 56.100 0.112 0.000 0.634 103 R CB -2.949 27.373 30.300 0.036 0.000 1.282 103 R HN -0.457 7.805 8.270 0.027 0.023 0.487 104 I N -0.189 120.528 120.570 0.244 0.000 2.362 104 I HA 0.055 4.282 4.170 0.094 0.000 0.289 104 I C -0.767 175.374 176.117 0.040 0.000 0.994 104 I CA -1.341 60.035 61.300 0.126 0.000 1.158 104 I CB 1.085 39.152 38.000 0.112 0.000 1.315 104 I HN -0.280 8.200 8.210 0.450 0.000 0.451 105 D N 8.855 129.267 120.400 0.019 0.000 2.661 105 D HA -0.131 4.489 4.640 -0.033 0.000 0.244 105 D C 0.447 176.682 176.300 -0.109 0.000 1.196 105 D CA -0.695 53.288 54.000 -0.029 0.000 0.881 105 D CB 0.909 41.714 40.800 0.008 0.000 1.141 105 D HN 0.239 8.633 8.370 0.040 0.000 0.530 106 P HA -0.046 4.099 4.420 -0.459 0.000 0.226 106 P C 0.034 177.167 177.300 -0.279 0.000 1.153 106 P CA 1.232 64.072 63.100 -0.433 0.000 0.777 106 P CB 0.239 31.526 31.700 -0.688 0.000 0.794 107 I N -3.649 116.849 120.570 -0.120 0.000 2.676 107 I HA -0.308 3.967 4.170 0.175 0.000 0.259 107 I C 1.196 177.524 176.117 0.352 0.000 1.194 107 I CA 2.161 63.552 61.300 0.151 0.000 1.473 107 I CB -0.307 37.765 38.000 0.120 0.000 1.096 107 I HN -0.631 7.712 8.210 -0.121 -0.206 0.443 108 N N -0.919 117.897 118.700 0.192 0.000 2.416 108 N HA -0.160 4.686 4.740 0.177 0.000 0.177 108 N C 0.205 175.845 175.510 0.218 0.000 1.036 108 N CA 1.195 54.349 53.050 0.175 0.000 0.901 108 N CB 0.509 39.053 38.487 0.096 0.000 0.976 108 N HN -0.429 7.894 8.380 0.089 0.110 0.444 109 E N -1.005 119.362 120.200 0.279 0.000 2.421 109 E HA -0.181 4.286 4.350 0.196 0.000 0.253 109 E C 0.267 177.127 176.600 0.432 0.000 1.277 109 E CA 0.467 57.054 56.400 0.312 0.000 0.968 109 E CB 0.231 30.079 29.700 0.246 0.000 1.040 109 E HN -0.955 7.381 8.360 0.231 0.162 0.512 110 R N -2.801 117.893 120.500 0.323 0.000 2.084 110 R HA 0.200 4.535 4.340 -0.008 0.000 0.209 110 R C -0.032 176.352 176.300 0.139 0.000 1.173 110 R CA 0.449 56.627 56.100 0.131 0.000 1.053 110 R CB 1.499 31.841 30.300 0.069 0.000 0.948 110 R HN 0.330 8.775 8.270 0.291 0.000 0.460 111 S N -3.291 112.602 115.700 0.321 0.000 2.537 111 S HA 0.376 5.195 4.470 0.474 -0.064 0.271 111 S C -2.382 172.477 174.600 0.431 0.000 1.148 111 S CA -0.049 58.352 58.200 0.335 0.000 0.868 111 S CB 3.683 66.950 63.200 0.111 0.000 1.115 111 S HN -0.675 7.820 8.310 0.310 0.000 0.461 112 F N -1.865 118.273 119.950 0.313 0.000 2.619 112 F HA 0.905 5.740 4.527 0.233 -0.168 0.308 112 F C -2.666 173.306 175.800 0.286 0.000 1.097 112 F CA -1.762 56.382 58.000 0.239 0.000 0.953 112 F CB 3.593 42.664 39.000 0.118 0.000 1.287 112 F HN 0.647 8.909 8.300 -0.063 0.000 0.446 113 I N -0.267 120.589 120.570 0.476 0.000 2.404 113 I HA 0.783 5.346 4.170 0.355 -0.181 0.293 113 I C -0.343 176.074 176.117 0.501 0.000 0.992 113 I CA -3.111 58.486 61.300 0.494 0.000 1.149 113 I CB 1.694 40.069 38.000 0.625 0.000 1.315 113 I HN 0.533 8.977 8.210 0.559 0.101 0.446 114 C N 6.376 125.945 119.300 0.448 0.000 2.319 114 C HA 0.615 5.338 4.460 0.128 -0.186 0.335 114 C C -0.700 174.424 174.990 0.224 0.000 1.274 114 C CA -2.836 56.374 59.018 0.321 0.000 1.806 114 C CB 0.555 28.511 27.740 0.359 0.000 2.329 114 C HN 0.686 9.207 8.230 0.485 0.000 0.524 115 N N 3.273 121.898 118.700 -0.126 0.000 2.354 115 N HA 0.199 4.573 4.740 -0.810 -0.119 0.287 115 N C -2.143 173.036 175.510 -0.551 0.000 1.016 115 N CA -0.259 52.396 53.050 -0.658 0.000 0.871 115 N CB 3.353 41.158 38.487 -1.135 0.000 1.299 115 N HN 0.550 8.752 8.380 -0.203 0.057 0.482 116 Y N 7.429 127.230 120.300 -0.832 0.000 2.706 116 Y HA 0.289 4.338 4.550 -0.836 0.000 0.255 116 Y C -0.365 175.275 175.900 -0.432 0.000 1.163 116 Y CA -1.684 55.888 58.100 -0.880 0.000 1.174 116 Y CB 1.214 38.829 38.460 -1.409 0.000 1.200 116 Y HN 0.932 8.911 8.280 -0.503 0.000 0.544 117 K N -3.335 116.864 120.400 -0.336 0.000 8.070 117 K HA -0.625 3.715 4.320 0.033 0.000 0.487 117 K C 0.930 177.523 176.600 -0.010 0.000 0.363 117 K CA 3.359 59.572 56.287 -0.123 0.000 1.957 117 K CB -2.079 30.292 32.500 -0.215 0.000 0.676 117 K HN 0.413 8.315 8.250 -0.456 0.074 0.908 118 E N -0.046 120.090 120.200 -0.107 0.000 2.435 118 E HA -0.093 4.173 4.350 -0.140 0.000 0.195 118 E C 0.242 176.726 176.600 -0.193 0.000 1.029 118 E CA 1.695 58.027 56.400 -0.113 0.000 0.865 118 E CB 0.569 30.231 29.700 -0.063 0.000 0.833 118 E HN -0.145 7.997 8.360 -0.220 0.086 0.510 119 H N -4.077 115.063 119.070 0.117 0.000 3.068 119 H HA 0.191 4.891 4.556 0.241 0.000 0.342 119 H C -2.616 172.860 175.328 0.246 0.000 1.284 119 H CA -0.854 55.302 56.048 0.180 0.000 1.181 119 H CB 3.002 32.795 29.762 0.051 0.000 1.898 119 H HN -0.538 7.746 8.280 0.091 0.051 0.540 120 W N -0.637 120.757 121.300 0.155 0.000 2.883 120 W HA 0.741 5.728 4.660 0.214 -0.199 0.335 120 W C -1.107 175.539 176.519 0.211 0.000 1.083 120 W CA -1.992 55.467 57.345 0.190 0.000 1.233 120 W CB 2.870 32.489 29.460 0.266 0.000 1.412 120 W HN 0.361 8.917 8.180 0.627 0.000 0.490 121 F N 1.846 122.103 119.950 0.511 0.000 2.404 121 F HA 0.268 4.966 4.527 0.286 0.000 0.354 121 F C 0.061 176.012 175.800 0.251 0.000 1.122 121 F CA -2.167 56.022 58.000 0.316 0.000 1.080 121 F CB 1.422 40.555 39.000 0.223 0.000 1.131 121 F HN 1.034 9.507 8.300 0.487 0.120 0.471 122 T N 7.788 122.569 114.554 0.378 0.000 2.875 122 T HA 0.120 4.597 4.350 0.212 0.000 0.307 122 T C -1.466 173.278 174.700 0.073 0.000 1.013 122 T CA 0.322 62.538 62.100 0.194 0.000 0.970 122 T CB -0.517 68.420 68.868 0.115 0.000 0.986 122 T HN 0.230 8.739 8.240 0.400 -0.029 0.536 123 V N 8.143 128.020 119.914 -0.062 0.000 2.435 123 V HA 0.818 5.129 4.120 -0.036 -0.213 0.290 123 V C -1.538 174.488 176.094 -0.112 0.000 1.030 123 V CA -1.099 61.090 62.300 -0.184 0.000 0.881 123 V CB 1.583 33.047 31.823 -0.597 0.000 0.983 123 V HN -0.135 8.007 8.190 -0.080 0.000 0.445 124 R N 3.550 124.074 120.500 0.040 0.000 2.668 124 R HA 0.564 4.900 4.340 -0.006 0.000 0.272 124 R C -2.062 174.022 176.300 -0.361 0.000 1.019 124 R CA -2.087 53.968 56.100 -0.075 0.000 0.894 124 R CB 3.980 34.221 30.300 -0.098 0.000 1.228 124 R HN 1.055 9.379 8.270 0.091 0.000 0.460 125 K N 3.600 123.417 120.400 -0.971 0.000 2.368 125 K HA 0.086 3.530 4.320 -1.663 -0.121 0.282 125 K C -1.450 174.762 176.600 -0.645 0.000 1.035 125 K CA 0.308 55.803 56.287 -1.320 0.000 0.973 125 K CB 0.773 32.385 32.500 -1.482 0.000 0.957 125 K HN 0.170 7.911 8.250 -0.848 0.000 0.474 126 L N 7.194 128.095 121.223 -0.537 0.000 2.406 126 L HA 0.243 4.316 4.340 -0.445 0.000 0.272 126 L C -0.048 176.609 176.870 -0.354 0.000 0.980 126 L CA -1.423 53.106 54.840 -0.518 0.000 0.831 126 L CB 1.492 42.943 42.059 -1.014 0.000 1.253 126 L HN 0.653 8.473 8.230 -0.495 0.113 0.406 127 G N 6.396 115.035 108.800 -0.268 0.000 3.434 127 G HA2 -0.504 3.550 3.960 -0.137 0.000 0.343 127 G HA3 -0.504 3.429 3.960 -0.136 -0.054 0.343 127 G C -0.828 174.007 174.900 -0.109 0.000 1.240 127 G CA 2.245 47.250 45.100 -0.158 0.000 0.996 127 G HN 0.399 8.722 8.290 -0.274 -0.198 0.650 128 K N 2.179 122.548 120.400 -0.053 0.000 2.533 128 K HA 0.144 4.454 4.320 -0.017 0.000 0.202 128 K C -1.619 175.020 176.600 0.065 0.000 1.096 128 K CA -0.569 55.719 56.287 0.001 0.000 1.056 128 K CB 1.248 33.763 32.500 0.024 0.000 0.890 128 K HN -0.248 7.983 8.250 -0.030 0.000 0.552 129 Q N -2.128 117.715 119.800 0.071 0.000 2.892 129 Q HA 0.387 4.896 4.340 0.282 0.000 0.307 129 Q C -2.182 173.921 176.000 0.172 0.000 1.039 129 Q CA -1.412 54.524 55.803 0.221 0.000 0.792 129 Q CB 4.201 33.116 28.738 0.295 0.000 1.504 129 Q HN -0.223 7.939 8.270 -0.001 0.107 0.487 130 W N -2.535 118.899 121.300 0.223 0.000 2.587 130 W HA 0.190 5.097 4.660 0.218 -0.116 0.324 130 W C -1.325 175.357 176.519 0.272 0.000 1.040 130 W CA -0.747 56.728 57.345 0.215 0.000 1.222 130 W CB 2.791 32.318 29.460 0.112 0.000 1.381 130 W HN 0.129 8.593 8.180 0.474 0.000 0.483 131 F N 1.579 121.559 119.950 0.051 0.000 2.482 131 F HA 0.431 5.076 4.527 -0.033 -0.138 0.331 131 F C -1.544 174.233 175.800 -0.039 0.000 1.115 131 F CA -2.395 55.590 58.000 -0.025 0.000 0.955 131 F CB 3.469 42.430 39.000 -0.066 0.000 1.136 131 F HN 1.118 9.656 8.300 0.396 0.000 0.452 132 N N 3.202 121.912 118.700 0.018 0.000 2.392 132 N HA 0.683 5.647 4.740 0.011 -0.217 0.283 132 N C -1.688 173.825 175.510 0.006 0.000 1.003 132 N CA -0.923 52.107 53.050 -0.034 0.000 0.892 132 N CB 2.145 40.512 38.487 -0.201 0.000 1.193 132 N HN -0.133 8.189 8.380 -0.097 0.000 0.487 133 L N 3.914 125.175 121.223 0.064 0.000 2.359 133 L HA 0.268 4.662 4.340 0.091 0.000 0.256 133 L C -2.488 174.455 176.870 0.122 0.000 1.026 133 L CA -0.615 54.282 54.840 0.095 0.000 0.828 133 L CB 4.788 46.910 42.059 0.105 0.000 1.406 133 L HN 0.614 8.886 8.230 0.071 0.000 0.413 134 N N -2.409 116.398 118.700 0.177 0.000 3.378 134 N HA 0.333 5.150 4.740 0.128 0.000 0.294 134 N C -0.251 175.490 175.510 0.386 0.000 1.544 134 N CA -0.713 52.473 53.050 0.227 0.000 0.872 134 N CB 3.255 41.909 38.487 0.277 0.000 1.670 134 N HN -0.430 8.076 8.380 0.210 0.000 0.551 135 S N 0.114 116.055 115.700 0.402 0.000 2.501 135 S HA 0.027 4.686 4.470 0.315 0.000 0.220 135 S C 0.267 174.981 174.600 0.190 0.000 0.997 135 S CA 2.404 60.793 58.200 0.316 0.000 0.919 135 S CB 0.381 63.723 63.200 0.236 0.000 0.778 135 S HN 0.404 8.913 8.310 0.331 0.000 0.523 136 L N -0.538 120.807 121.223 0.203 0.000 2.872 136 L HA 0.158 4.577 4.340 0.132 0.000 0.245 136 L C -1.567 175.392 176.870 0.147 0.000 1.211 136 L CA -0.038 54.900 54.840 0.163 0.000 1.013 136 L CB -0.330 41.841 42.059 0.187 0.000 1.326 136 L HN -0.193 8.139 8.230 0.240 0.042 0.525 137 L N -1.028 120.293 121.223 0.163 0.000 2.555 137 L HA 0.223 4.623 4.340 0.099 0.000 0.264 137 L C -0.207 176.754 176.870 0.152 0.000 0.972 137 L CA -0.289 54.631 54.840 0.133 0.000 0.876 137 L CB 1.462 43.596 42.059 0.126 0.000 1.216 137 L HN -0.953 7.300 8.230 0.194 0.094 0.415 138 T N 2.752 117.381 114.554 0.125 0.000 3.057 138 T HA 0.001 4.500 4.350 0.248 0.000 0.254 138 T C 0.512 175.271 174.700 0.099 0.000 1.094 138 T CA 0.714 62.909 62.100 0.158 0.000 1.088 138 T CB 0.218 69.165 68.868 0.131 0.000 0.934 138 T HN 0.259 8.556 8.240 0.095 0.000 0.497 139 G N 1.555 110.382 108.800 0.044 0.000 2.377 139 G HA2 0.214 4.165 3.960 -0.015 0.000 0.316 139 G HA3 0.214 4.156 3.960 -0.030 0.000 0.316 139 G C -2.862 172.009 174.900 -0.050 0.000 1.115 139 G CA -1.734 43.358 45.100 -0.013 0.000 0.952 139 G HN -0.342 7.939 8.290 0.046 0.037 0.441 140 P HA 0.059 4.654 4.420 -0.051 -0.205 0.269 140 P C -0.832 176.286 177.300 -0.303 0.000 1.263 140 P CA -0.760 62.267 63.100 -0.121 0.000 0.813 140 P CB 0.192 31.883 31.700 -0.015 0.000 0.868 141 E N 4.929 124.972 120.200 -0.262 0.000 2.271 141 E HA -0.221 3.952 4.350 -0.295 0.000 0.255 141 E C -0.264 176.084 176.600 -0.421 0.000 1.177 141 E CA -0.071 56.137 56.400 -0.319 0.000 0.946 141 E CB -0.703 28.811 29.700 -0.310 0.000 1.009 141 E HN -0.225 8.023 8.360 -0.188 0.000 0.451 142 L N 5.739 126.671 121.223 -0.485 0.000 2.597 142 L HA -0.210 3.783 4.340 -0.759 -0.109 0.271 142 L C -0.017 176.666 176.870 -0.312 0.000 1.157 142 L CA 0.312 54.843 54.840 -0.515 0.000 0.928 142 L CB -0.602 41.198 42.059 -0.431 0.000 1.216 142 L HN -0.095 7.878 8.230 -0.429 0.000 0.481 143 I N 6.579 127.048 120.570 -0.169 0.000 2.312 143 I HA 0.152 4.278 4.170 -0.073 0.000 0.290 143 I C -0.698 175.484 176.117 0.108 0.000 1.008 143 I CA -0.690 60.602 61.300 -0.013 0.000 1.226 143 I CB 0.445 38.455 38.000 0.015 0.000 1.371 143 I HN 0.939 9.060 8.210 -0.150 0.000 0.468 144 S N 7.070 122.823 115.700 0.088 0.000 2.600 144 S HA 0.124 4.850 4.470 0.107 -0.192 0.265 144 S C 0.929 175.621 174.600 0.152 0.000 1.325 144 S CA -0.906 57.360 58.200 0.111 0.000 1.002 144 S CB 1.151 64.386 63.200 0.059 0.000 0.921 144 S HN 0.397 8.726 8.310 0.032 0.000 0.554 145 D N 1.953 122.436 120.400 0.139 0.000 2.104 145 D HA -0.325 4.387 4.640 0.121 0.000 0.194 145 D C 1.462 177.799 176.300 0.061 0.000 0.994 145 D CA 3.859 57.927 54.000 0.112 0.000 0.830 145 D CB -1.025 39.845 40.800 0.116 0.000 0.959 145 D HN 0.669 9.117 8.370 0.130 0.000 0.452 146 T N -1.351 113.248 114.554 0.074 0.000 2.951 146 T HA -0.164 4.206 4.350 0.032 0.000 0.268 146 T C 1.135 175.882 174.700 0.078 0.000 1.073 146 T CA 3.153 65.288 62.100 0.060 0.000 1.134 146 T CB -0.451 68.453 68.868 0.061 0.000 0.884 146 T HN 0.153 8.443 8.240 0.083 0.000 0.479 147 Y N 2.576 122.864 120.300 -0.020 0.000 2.337 147 Y HA -0.167 4.379 4.550 -0.006 0.000 0.293 147 Y C 0.645 176.541 175.900 -0.007 0.000 1.123 147 Y CA 1.816 59.902 58.100 -0.022 0.000 1.201 147 Y CB -0.087 38.338 38.460 -0.059 0.000 1.011 147 Y HN -0.647 7.634 8.280 0.203 0.121 0.545 148 L N 0.260 121.447 121.223 -0.061 0.000 2.042 148 L HA -0.473 3.790 4.340 -0.128 0.000 0.210 148 L C 1.443 178.211 176.870 -0.170 0.000 1.076 148 L CA 3.088 57.836 54.840 -0.154 0.000 0.749 148 L CB -0.604 41.293 42.059 -0.270 0.000 0.893 148 L HN 0.262 8.520 8.230 0.047 0.000 0.432 149 A N -1.743 120.993 122.820 -0.140 0.000 1.908 149 A HA -0.354 3.885 4.320 -0.135 0.000 0.218 149 A C 1.877 179.390 177.584 -0.119 0.000 1.181 149 A CA 3.189 55.157 52.037 -0.116 0.000 0.627 149 A CB -0.661 18.299 19.000 -0.066 0.000 0.818 149 A HN -0.559 7.530 8.150 -0.101 0.000 0.445 150 L N -1.706 119.429 121.223 -0.147 0.000 2.131 150 L HA -0.244 4.028 4.340 -0.112 0.000 0.206 150 L C 1.177 177.920 176.870 -0.211 0.000 1.087 150 L CA 2.467 57.211 54.840 -0.160 0.000 0.767 150 L CB -0.292 41.678 42.059 -0.149 0.000 0.917 150 L HN -0.821 7.232 8.230 -0.151 0.086 0.441 151 F N 0.568 120.208 119.950 -0.517 0.000 2.095 151 F HA -0.453 3.780 4.527 -0.490 0.000 0.298 151 F C 1.257 176.895 175.800 -0.270 0.000 1.104 151 F CA 3.779 61.489 58.000 -0.485 0.000 1.232 151 F CB -0.075 38.591 39.000 -0.558 0.000 0.987 151 F HN 0.385 8.301 8.300 -0.341 0.179 0.475 152 L N -2.835 118.245 121.223 -0.237 0.000 2.042 152 L HA -0.439 3.674 4.340 -0.377 0.000 0.210 152 L C 2.095 178.849 176.870 -0.193 0.000 1.076 152 L CA 3.137 57.814 54.840 -0.272 0.000 0.749 152 L CB -1.533 40.391 42.059 -0.225 0.000 0.893 152 L HN 0.245 8.394 8.230 -0.135 0.000 0.432 153 A N -0.785 121.944 122.820 -0.151 0.000 1.898 153 A HA -0.130 4.419 4.320 -0.101 -0.290 0.216 153 A C 2.645 180.139 177.584 -0.149 0.000 1.181 153 A CA 2.649 54.613 52.037 -0.122 0.000 0.620 153 A CB -0.426 18.517 19.000 -0.094 0.000 0.819 153 A HN -0.625 7.359 8.150 -0.147 0.077 0.442 154 Q N -1.600 118.083 119.800 -0.195 0.000 2.124 154 Q HA -0.310 3.957 4.340 -0.121 0.000 0.202 154 Q C 2.754 178.626 176.000 -0.214 0.000 0.977 154 Q CA 2.560 58.251 55.803 -0.186 0.000 0.850 154 Q CB -0.503 28.118 28.738 -0.195 0.000 0.901 154 Q HN 0.072 8.212 8.270 -0.216 0.000 0.429 155 L N -0.986 120.032 121.223 -0.341 0.000 2.017 155 L HA -0.458 3.725 4.340 -0.262 0.000 0.208 155 L C 2.177 179.005 176.870 -0.069 0.000 1.073 155 L CA 3.185 57.860 54.840 -0.275 0.000 0.745 155 L CB -0.676 41.133 42.059 -0.416 0.000 0.894 155 L HN 0.230 8.185 8.230 -0.443 0.010 0.432 156 Q N -1.530 118.210 119.800 -0.101 0.000 2.084 156 Q HA -0.390 3.916 4.340 -0.057 0.000 0.202 156 Q C 2.944 178.915 176.000 -0.048 0.000 0.978 156 Q CA 3.101 58.860 55.803 -0.073 0.000 0.844 156 Q CB -0.048 28.623 28.738 -0.112 0.000 0.898 156 Q HN -0.349 7.835 8.270 -0.145 0.000 0.426 157 Q N -1.508 118.259 119.800 -0.056 0.000 2.084 157 Q HA -0.311 4.009 4.340 -0.034 0.000 0.202 157 Q C 2.188 178.187 176.000 -0.001 0.000 0.978 157 Q CA 2.396 58.178 55.803 -0.034 0.000 0.844 157 Q CB -0.096 28.617 28.738 -0.043 0.000 0.898 157 Q HN -0.375 7.847 8.270 -0.080 0.000 0.426 158 E N -1.122 119.082 120.200 0.006 0.000 2.106 158 E HA -0.216 4.156 4.350 0.038 0.000 0.192 158 E C 0.839 177.526 176.600 0.146 0.000 0.984 158 E CA 0.790 57.214 56.400 0.040 0.000 0.806 158 E CB 0.638 30.332 29.700 -0.009 0.000 0.750 158 E HN -0.302 8.046 8.360 -0.021 0.000 0.458 159 G N -3.888 104.984 108.800 0.121 0.000 2.145 159 G HA2 -0.287 3.696 3.960 0.040 0.000 0.145 159 G HA3 -0.287 3.768 3.960 0.159 0.000 0.145 159 G C -0.709 174.250 174.900 0.099 0.000 1.017 159 G CA -0.409 44.759 45.100 0.114 0.000 0.682 159 G HN -0.320 7.913 8.290 0.080 0.104 0.504 160 Y N 1.889 122.189 120.300 -0.001 0.000 2.480 160 Y HA -0.144 4.632 4.550 0.029 -0.209 0.341 160 Y C 0.011 175.797 175.900 -0.190 0.000 1.031 160 Y CA 0.742 58.801 58.100 -0.069 0.000 1.295 160 Y CB 0.312 38.685 38.460 -0.146 0.000 1.162 160 Y HN 0.147 8.458 8.280 0.216 0.098 0.523 161 S N 5.769 121.347 115.700 -0.203 0.000 2.429 161 S HA -0.016 4.403 4.470 -0.323 -0.142 0.292 161 S C -0.561 173.583 174.600 -0.761 0.000 1.183 161 S CA 0.603 58.522 58.200 -0.467 0.000 1.088 161 S CB -0.104 62.781 63.200 -0.525 0.000 1.018 161 S HN 0.832 8.904 8.310 -0.242 0.093 0.511 162 I N 6.171 126.451 120.570 -0.482 0.000 2.301 162 I HA 0.084 4.298 4.170 -0.193 -0.159 0.292 162 I C -0.969 174.956 176.117 -0.321 0.000 1.046 162 I CA -0.340 60.784 61.300 -0.293 0.000 1.282 162 I CB 0.604 38.571 38.000 -0.054 0.000 1.409 162 I HN 0.079 8.226 8.210 -0.312 -0.125 0.484 163 F N 7.964 128.034 119.950 0.201 0.000 2.313 163 F HA 0.444 5.186 4.527 0.113 -0.148 0.369 163 F C -0.350 175.578 175.800 0.214 0.000 1.109 163 F CA -2.289 55.813 58.000 0.170 0.000 1.132 163 F CB -0.139 38.967 39.000 0.177 0.000 1.291 163 F HN 1.016 9.175 8.300 -0.050 0.111 0.496 164 V N 4.635 124.711 119.914 0.271 0.000 2.498 164 V HA 0.012 4.337 4.120 0.342 0.000 0.279 164 V C -0.612 175.602 176.094 0.201 0.000 1.048 164 V CA -0.033 62.400 62.300 0.221 0.000 0.967 164 V CB 0.652 32.497 31.823 0.038 0.000 0.988 164 V HN 1.074 9.387 8.190 0.205 0.000 0.473 165 V N 8.661 128.707 119.914 0.220 0.000 2.364 165 V HA 0.508 4.931 4.120 0.149 -0.214 0.272 165 V C -0.581 175.595 176.094 0.137 0.000 1.036 165 V CA -0.795 61.605 62.300 0.167 0.000 0.880 165 V CB 0.328 32.248 31.823 0.162 0.000 0.991 165 V HN 0.707 9.063 8.190 0.277 0.000 0.460 166 K N 6.993 127.459 120.400 0.109 0.000 2.110 166 K HA 0.436 4.815 4.320 0.100 0.000 0.263 166 K C 0.171 176.823 176.600 0.087 0.000 0.975 166 K CA -2.120 54.224 56.287 0.095 0.000 0.895 166 K CB 2.130 34.681 32.500 0.085 0.000 1.060 166 K HN 0.556 8.758 8.250 0.104 0.110 0.448 167 G N 2.259 111.106 108.800 0.078 0.000 2.362 167 G HA2 -0.284 3.714 3.960 0.064 0.000 0.517 167 G HA3 -0.284 3.719 3.960 0.072 0.000 0.517 167 G C -2.512 172.422 174.900 0.057 0.000 1.256 167 G CA -0.676 44.464 45.100 0.068 0.000 1.027 167 G HN 0.198 8.535 8.290 0.079 0.000 0.491 168 D N 0.788 121.217 120.400 0.048 0.000 2.396 168 D HA 0.271 4.927 4.640 0.027 0.000 0.225 168 D C -0.442 175.868 176.300 0.018 0.000 1.121 168 D CA 0.218 54.236 54.000 0.031 0.000 0.853 168 D CB 0.605 41.423 40.800 0.029 0.000 1.043 168 D HN 0.222 8.624 8.370 0.053 0.000 0.500 169 L N 5.593 126.816 121.223 -0.000 0.000 2.276 169 L HA 0.406 4.723 4.340 -0.039 0.000 0.286 169 L C -1.597 175.237 176.870 -0.060 0.000 1.061 169 L CA -2.695 52.124 54.840 -0.034 0.000 0.807 169 L CB 0.699 42.738 42.059 -0.033 0.000 1.177 169 L HN 0.018 8.250 8.230 0.004 0.000 0.429 170 P HA 0.020 4.411 4.420 -0.049 0.000 0.268 170 P C -1.119 176.127 177.300 -0.090 0.000 1.282 170 P CA -0.485 62.565 63.100 -0.083 0.000 0.880 170 P CB -0.508 31.123 31.700 -0.116 0.000 0.971 171 D N 1.156 121.515 120.400 -0.069 0.000 2.344 171 D HA -0.121 4.530 4.640 -0.095 -0.068 0.244 171 D C -0.171 176.099 176.300 -0.051 0.000 1.134 171 D CA -0.647 53.308 54.000 -0.076 0.000 0.930 171 D CB 1.155 41.907 40.800 -0.080 0.000 1.175 171 D HN -0.430 7.907 8.370 -0.055 0.000 0.437 172 C N -1.525 117.751 119.300 -0.039 0.000 2.768 172 C HA 0.357 4.834 4.460 0.027 0.000 0.411 172 C C 1.389 176.381 174.990 0.003 0.000 1.793 172 C CA -3.501 55.531 59.018 0.023 0.000 1.747 172 C CB 3.573 31.391 27.740 0.130 0.000 2.128 172 C HN 0.428 9.000 8.230 -0.061 -0.379 0.472 173 E N 0.859 121.073 120.200 0.024 0.000 2.204 173 E HA -0.356 3.977 4.350 -0.028 0.000 0.195 173 E C 0.759 177.327 176.600 -0.054 0.000 0.990 173 E CA 2.920 59.306 56.400 -0.023 0.000 0.821 173 E CB -0.314 29.363 29.700 -0.038 0.000 0.750 173 E HN 0.672 9.080 8.360 0.079 0.000 0.477 174 A N -2.585 120.203 122.820 -0.054 0.000 2.070 174 A HA -0.226 4.028 4.320 -0.111 0.000 0.220 174 A C 1.732 179.218 177.584 -0.164 0.000 1.159 174 A CA 2.486 54.457 52.037 -0.110 0.000 0.656 174 A CB -0.517 18.419 19.000 -0.107 0.000 0.800 174 A HN -0.360 7.756 8.150 -0.006 0.030 0.453 175 D N -2.369 117.949 120.400 -0.137 0.000 2.183 175 D HA -0.180 4.329 4.640 -0.219 0.000 0.205 175 D C 1.986 178.214 176.300 -0.121 0.000 0.962 175 D CA 3.041 56.946 54.000 -0.159 0.000 0.849 175 D CB 0.342 41.060 40.800 -0.136 0.000 0.978 175 D HN -0.469 7.673 8.370 -0.097 0.170 0.488 176 Q N -1.894 117.854 119.800 -0.087 0.000 2.083 176 Q HA -0.151 4.152 4.340 -0.062 0.000 0.198 176 Q C 2.968 178.930 176.000 -0.064 0.000 0.969 176 Q CA 2.691 58.455 55.803 -0.065 0.000 0.838 176 Q CB -0.086 28.623 28.738 -0.048 0.000 0.900 176 Q HN -0.516 7.706 8.270 -0.080 0.000 0.436 177 L N -3.693 117.487 121.223 -0.071 0.000 2.376 177 L HA 0.015 4.326 4.340 -0.048 0.000 0.219 177 L C 1.533 178.363 176.870 -0.067 0.000 1.133 177 L CA 2.711 57.514 54.840 -0.062 0.000 0.816 177 L CB -0.686 41.336 42.059 -0.062 0.000 0.933 177 L HN -0.127 8.056 8.230 -0.077 0.000 0.449 178 L N -2.300 118.863 121.223 -0.100 0.000 2.554 178 L HA -0.013 4.286 4.340 -0.068 0.000 0.226 178 L C 1.823 178.657 176.870 -0.061 0.000 1.137 178 L CA 1.156 55.933 54.840 -0.104 0.000 0.863 178 L CB -1.420 40.503 42.059 -0.227 0.000 0.985 178 L HN -0.522 7.501 8.230 -0.120 0.134 0.451 179 Q N -1.896 117.870 119.800 -0.057 0.000 2.436 179 Q HA -0.180 4.140 4.340 -0.033 0.000 0.209 179 Q C 0.711 176.701 176.000 -0.017 0.000 0.965 179 Q CA 1.906 57.688 55.803 -0.036 0.000 0.910 179 Q CB -0.074 28.641 28.738 -0.038 0.000 0.980 179 Q HN -0.585 7.472 8.270 -0.066 0.173 0.491 180 M N -6.287 113.303 119.600 -0.017 0.000 2.495 180 M HA 0.096 4.572 4.480 -0.007 0.000 0.237 180 M C -0.849 175.452 176.300 0.001 0.000 1.131 180 M CA 0.438 55.733 55.300 -0.009 0.000 1.032 180 M CB 0.293 32.885 32.600 -0.012 0.000 1.513 180 M HN -0.962 7.259 8.290 -0.026 0.054 0.488 181 I N 2.365 122.940 120.570 0.010 0.000 2.307 181 I HA 0.054 4.235 4.170 0.018 0.000 0.289 181 I C -0.445 175.691 176.117 0.031 0.000 1.021 181 I CA -1.800 59.515 61.300 0.026 0.000 1.224 181 I CB -0.894 37.139 38.000 0.054 0.000 1.376 181 I HN -0.687 7.345 8.210 0.005 0.181 0.470 182 R N 0.000 120.512 120.500 0.021 0.000 2.786 182 R HA 0.000 4.347 4.340 0.012 0.000 0.208 182 R CA 0.000 56.111 56.100 0.019 0.000 0.921 182 R CB 0.000 30.310 30.300 0.017 0.000 0.687 182 R HN 0.000 8.279 8.270 0.014 0.000 0.535