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 2k46_1_A DATA FIRST_RESID 1 DATA SEQUENCE GAMSGLADKV IWAVNAGGES HVDVHGIHYR KDPLEGRVGR ASDYGMKLPI DATA SEQUENCE LRSNPEDQVL YQTERYNEDS FGYDIPIKEE GEYVLVLKFA EVYFAQSQQK DATA SEQUENCE VFDVRVNGHT VVKDLDIFDR VGHSTAHDEI IPISIKKGKL SVQGEVSTFT DATA SEQUENCE GKLSVEFVKG YYDNPKVCAL FIMKGTADDV PMLQPHPGLE 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.950 3.960 -0.017 0.000 0.244 1 G C 0.000 174.891 174.900 -0.015 0.000 0.946 1 G CA 0.000 45.090 45.100 -0.018 0.000 0.502 2 A N -0.053 122.763 122.820 -0.007 0.000 2.522 2 A HA 0.253 4.574 4.320 0.001 0.000 0.290 2 A C -1.557 176.031 177.584 0.007 0.000 1.047 2 A CA 0.680 52.718 52.037 0.000 0.000 0.935 2 A CB 0.949 19.949 19.000 -0.000 0.000 1.451 2 A HN 0.216 8.362 8.150 -0.006 0.000 0.398 3 M N 2.425 122.034 119.600 0.015 0.000 2.817 3 M HA 0.113 4.602 4.480 0.015 0.000 0.228 3 M C -0.266 176.053 176.300 0.031 0.000 1.644 3 M CA 0.122 55.434 55.300 0.020 0.000 1.177 3 M CB 0.761 33.373 32.600 0.019 0.000 1.302 3 M HN 0.096 8.397 8.290 0.018 0.000 0.565 4 S N 0.574 116.303 115.700 0.049 0.000 2.572 4 S HA -0.028 4.475 4.470 0.056 0.000 0.267 4 S C 0.024 174.655 174.600 0.051 0.000 1.361 4 S CA 0.527 58.765 58.200 0.064 0.000 1.009 4 S CB 0.400 63.671 63.200 0.118 0.000 0.888 4 S HN -0.422 7.918 8.310 0.051 0.000 0.553 5 G N 0.770 109.597 108.800 0.046 0.000 4.144 5 G HA2 0.219 4.201 3.960 0.035 0.000 0.297 5 G HA3 0.219 4.196 3.960 0.027 0.000 0.297 5 G C -1.444 173.481 174.900 0.042 0.000 1.090 5 G CA -0.229 44.893 45.100 0.036 0.000 0.870 5 G HN 0.306 8.623 8.290 0.045 0.000 0.532 6 L N -0.910 120.349 121.223 0.060 0.000 2.102 6 L HA 0.273 4.907 4.340 0.063 -0.256 0.202 6 L C 1.785 178.711 176.870 0.093 0.000 1.076 6 L CA 0.855 55.741 54.840 0.076 0.000 0.761 6 L CB 0.104 42.211 42.059 0.080 0.000 0.921 6 L HN -0.446 7.766 8.230 0.071 0.061 0.444 7 A N -1.682 121.188 122.820 0.084 0.000 2.076 7 A HA -0.277 4.095 4.320 0.087 0.000 0.220 7 A C 0.190 177.809 177.584 0.058 0.000 1.160 7 A CA 2.396 54.476 52.037 0.072 0.000 0.653 7 A CB -0.618 18.413 19.000 0.052 0.000 0.801 7 A HN -0.226 7.974 8.150 0.084 0.000 0.455 8 D N -4.080 116.348 120.400 0.046 0.000 2.312 8 D HA -0.155 4.502 4.640 0.027 0.000 0.211 8 D C 0.942 177.257 176.300 0.026 0.000 0.964 8 D CA 1.815 55.833 54.000 0.030 0.000 0.877 8 D CB 0.192 41.004 40.800 0.021 0.000 0.924 8 D HN -0.140 8.085 8.370 0.048 0.174 0.515 9 K N -3.379 117.042 120.400 0.034 0.000 2.399 9 K HA 0.105 4.419 4.320 -0.010 0.000 0.196 9 K C 0.543 177.165 176.600 0.036 0.000 1.103 9 K CA -0.174 56.117 56.287 0.008 0.000 0.986 9 K CB 1.361 33.849 32.500 -0.021 0.000 0.952 9 K HN -0.284 7.831 8.250 0.053 0.167 0.541 10 V N 1.237 121.214 119.914 0.106 0.000 2.975 10 V HA -0.422 3.841 4.120 0.238 0.000 0.300 10 V C -0.133 176.049 176.094 0.146 0.000 1.186 10 V CA 2.400 64.807 62.300 0.177 0.000 1.311 10 V CB 0.578 32.517 31.823 0.193 0.000 0.917 10 V HN -0.676 7.579 8.190 0.110 0.000 0.512 11 I N 1.156 121.851 120.570 0.209 0.000 4.916 11 I HA 0.321 4.597 4.170 0.176 0.000 0.335 11 I C -1.416 174.931 176.117 0.383 0.000 1.274 11 I CA -0.148 61.288 61.300 0.227 0.000 1.365 11 I CB 2.002 40.110 38.000 0.181 0.000 1.395 11 I HN -0.422 7.949 8.210 0.269 0.000 0.485 12 W N 0.923 122.323 121.300 0.167 0.000 4.071 12 W HA 0.164 4.935 4.660 0.184 0.000 0.274 12 W C -3.400 173.258 176.519 0.231 0.000 1.278 12 W CA 0.781 58.238 57.345 0.187 0.000 1.258 12 W CB 3.099 32.660 29.460 0.168 0.000 1.236 12 W HN -0.723 7.722 8.180 0.441 0.000 0.530 13 A N 4.706 127.350 122.820 -0.294 0.000 2.547 13 A HA 0.281 4.627 4.320 0.044 0.000 0.297 13 A C -3.311 173.945 177.584 -0.546 0.000 1.056 13 A CA -0.480 51.429 52.037 -0.213 0.000 0.688 13 A CB 3.296 22.351 19.000 0.091 0.000 1.282 13 A HN 0.280 8.070 8.150 -0.601 0.000 0.400 14 V N 1.525 121.198 119.914 -0.401 0.000 2.711 14 V HA 0.136 4.170 4.120 -0.143 0.000 0.304 14 V C -2.503 173.335 176.094 -0.426 0.000 1.097 14 V CA -0.924 61.178 62.300 -0.330 0.000 0.906 14 V CB 3.382 35.080 31.823 -0.208 0.000 1.015 14 V HN 0.135 8.071 8.190 -0.209 0.129 0.427 15 N N 5.330 123.367 118.700 -1.105 0.000 2.626 15 N HA 0.095 4.733 4.740 -0.424 -0.152 0.242 15 N C -0.776 174.281 175.510 -0.754 0.000 1.005 15 N CA -1.365 51.191 53.050 -0.823 0.000 0.905 15 N CB 1.217 39.345 38.487 -0.598 0.000 1.128 15 N HN 0.172 7.154 8.380 -2.329 0.000 0.512 16 A N 4.914 127.604 122.820 -0.217 0.000 2.473 16 A HA -0.016 4.296 4.320 -0.013 0.000 0.282 16 A C -0.895 176.714 177.584 0.041 0.000 1.163 16 A CA 1.098 53.145 52.037 0.018 0.000 0.827 16 A CB -0.356 18.819 19.000 0.291 0.000 1.098 16 A HN -0.302 7.788 8.150 -0.100 0.000 0.515 17 G N 3.017 111.852 108.800 0.059 0.000 3.675 17 G HA2 -0.178 4.036 3.960 0.141 0.000 0.206 17 G HA3 -0.178 3.927 3.960 0.083 -0.095 0.206 17 G C -0.511 174.470 174.900 0.134 0.000 1.086 17 G CA -0.068 45.095 45.100 0.105 0.000 0.894 17 G HN -0.204 8.126 8.290 0.067 0.000 0.412 18 G N 0.594 109.495 108.800 0.169 0.000 2.945 18 G HA2 0.110 4.174 3.960 0.174 0.000 0.156 18 G HA3 0.110 4.239 3.960 0.282 0.000 0.156 18 G C -3.173 171.955 174.900 0.379 0.000 1.375 18 G CA -1.631 43.627 45.100 0.263 0.000 1.039 18 G HN -0.699 7.640 8.290 0.081 0.000 0.586 19 E N -1.687 118.687 120.200 0.290 0.000 2.415 19 E HA 0.119 4.466 4.350 -0.005 0.000 0.302 19 E C -2.000 174.367 176.600 -0.389 0.000 0.907 19 E CA -0.229 56.151 56.400 -0.034 0.000 0.798 19 E CB 2.291 32.004 29.700 0.021 0.000 1.315 19 E HN -0.074 8.447 8.360 0.269 0.000 0.396 20 S N 2.793 117.910 115.700 -0.972 0.000 3.755 20 S HA -0.426 3.708 4.470 -1.163 -0.362 0.308 20 S C -1.130 173.119 174.600 -0.585 0.000 0.816 20 S CA 0.786 58.503 58.200 -0.805 0.000 1.342 20 S CB -0.948 62.105 63.200 -0.244 0.000 1.606 20 S HN 0.002 7.581 8.310 -1.333 -0.069 0.476 21 H N 4.067 122.646 119.070 -0.820 0.000 2.747 21 H HA 0.315 4.710 4.556 -0.269 0.000 0.371 21 H C -2.256 172.826 175.328 -0.410 0.000 1.161 21 H CA -0.921 54.894 56.048 -0.388 0.000 1.167 21 H CB 4.244 33.944 29.762 -0.104 0.000 1.732 21 H HN -0.634 7.089 8.280 -0.927 0.000 0.544 22 V N 6.018 125.547 119.914 -0.641 0.000 2.349 22 V HA 0.220 4.471 4.120 -0.070 -0.172 0.284 22 V C -1.889 174.035 176.094 -0.283 0.000 1.014 22 V CA -2.749 59.396 62.300 -0.257 0.000 0.826 22 V CB 1.781 33.563 31.823 -0.069 0.000 1.009 22 V HN 0.316 7.829 8.190 -1.128 0.000 0.431 23 D N 7.586 127.995 120.400 0.015 0.000 2.368 23 D HA 0.006 4.743 4.640 0.161 0.000 0.240 23 D C 1.254 177.497 176.300 -0.095 0.000 1.169 23 D CA 0.074 54.086 54.000 0.020 0.000 0.906 23 D CB 1.839 42.622 40.800 -0.029 0.000 1.187 23 D HN 0.088 8.395 8.370 0.059 0.098 0.435 24 V N 0.226 120.033 119.914 -0.179 0.000 2.250 24 V HA -0.439 3.578 4.120 -0.171 0.000 0.253 24 V C 0.214 176.177 176.094 -0.219 0.000 1.065 24 V CA 3.389 65.542 62.300 -0.244 0.000 1.039 24 V CB -0.382 31.225 31.823 -0.359 0.000 0.647 24 V HN 0.467 8.548 8.190 -0.181 0.000 0.446 25 H N -2.602 116.441 119.070 -0.044 0.000 2.489 25 H HA -0.164 4.385 4.556 -0.011 0.000 0.295 25 H C 0.956 176.268 175.328 -0.027 0.000 1.082 25 H CA 1.199 57.233 56.048 -0.024 0.000 1.295 25 H CB 0.171 29.928 29.762 -0.008 0.000 1.380 25 H HN -0.688 7.559 8.280 -0.535 -0.289 0.548 26 G N -2.499 106.324 108.800 0.039 0.000 2.173 26 G HA2 -0.318 3.665 3.960 -0.010 0.000 0.174 26 G HA3 -0.318 3.659 3.960 0.028 0.000 0.174 26 G C -1.066 173.845 174.900 0.018 0.000 1.025 26 G CA -0.296 44.814 45.100 0.017 0.000 0.706 26 G HN 0.125 8.343 8.290 -0.003 0.071 0.499 27 I N 1.041 121.595 120.570 -0.027 0.000 2.306 27 I HA 0.064 4.215 4.170 -0.031 0.000 0.288 27 I C -1.203 174.904 176.117 -0.016 0.000 1.036 27 I CA -2.173 59.068 61.300 -0.098 0.000 1.221 27 I CB -0.337 37.385 38.000 -0.465 0.000 1.385 27 I HN -0.701 7.684 8.210 -0.029 -0.193 0.472 28 H N 10.498 129.540 119.070 -0.047 0.000 2.473 28 H HA 0.572 5.406 4.556 -0.004 -0.280 0.327 28 H C -1.029 174.306 175.328 0.010 0.000 1.105 28 H CA -1.610 54.423 56.048 -0.024 0.000 1.280 28 H CB 2.247 31.974 29.762 -0.058 0.000 1.450 28 H HN 0.307 8.670 8.280 0.139 0.000 0.492 29 Y N 8.606 128.661 120.300 -0.408 0.000 2.342 29 Y HA 0.375 4.929 4.550 -0.236 -0.145 0.334 29 Y C -1.772 173.965 175.900 -0.271 0.000 1.067 29 Y CA -3.182 54.746 58.100 -0.286 0.000 1.128 29 Y CB 2.571 40.908 38.460 -0.205 0.000 1.200 29 Y HN 0.914 8.777 8.280 -0.517 0.107 0.464 30 R N 5.752 126.270 120.500 0.029 0.000 2.198 30 R HA 0.238 4.514 4.340 -0.107 0.000 0.339 30 R C -0.635 175.652 176.300 -0.022 0.000 1.020 30 R CA -1.809 54.253 56.100 -0.063 0.000 0.864 30 R CB 0.386 30.686 30.300 -0.000 0.000 1.105 30 R HN -0.346 7.980 8.270 0.094 0.000 0.463 31 K N 6.451 126.664 120.400 -0.311 0.000 2.563 31 K HA -0.456 3.767 4.320 -0.161 0.000 0.266 31 K C 0.702 177.433 176.600 0.217 0.000 1.009 31 K CA 1.436 57.684 56.287 -0.064 0.000 1.093 31 K CB 0.379 32.841 32.500 -0.063 0.000 0.781 31 K HN 0.442 8.411 8.250 -0.469 0.000 0.466 32 D N 3.110 123.690 120.400 0.301 0.000 6.826 32 D HA -0.192 4.576 4.640 0.215 0.000 0.196 32 D C -0.822 175.550 176.300 0.120 0.000 1.416 32 D CA -0.021 54.097 54.000 0.195 0.000 0.858 32 D CB -0.838 40.040 40.800 0.130 0.000 1.523 32 D HN -0.107 8.483 8.370 0.366 0.000 0.885 33 P HA 0.143 4.613 4.420 0.083 0.000 0.267 33 P C -1.149 176.180 177.300 0.048 0.000 1.289 33 P CA 1.196 64.357 63.100 0.102 0.000 0.866 33 P CB 0.562 32.360 31.700 0.164 0.000 1.309 34 L N -5.999 115.210 121.223 -0.024 0.000 2.902 34 L HA 0.343 4.629 4.340 -0.091 0.000 0.254 34 L C -0.667 176.096 176.870 -0.177 0.000 1.115 34 L CA 0.360 55.117 54.840 -0.138 0.000 0.947 34 L CB 0.628 42.489 42.059 -0.330 0.000 1.369 34 L HN -0.730 7.444 8.230 -0.007 0.052 0.538 35 E N 2.121 122.238 120.200 -0.138 0.000 2.222 35 E HA -0.056 4.143 4.350 -0.252 0.000 0.312 35 E C 0.406 176.945 176.600 -0.102 0.000 1.263 35 E CA -0.381 55.926 56.400 -0.156 0.000 1.356 35 E CB -1.641 28.002 29.700 -0.094 0.000 1.180 35 E HN 0.225 8.536 8.360 -0.081 0.000 0.494 36 G N 4.811 113.545 108.800 -0.110 0.000 2.184 36 G HA2 -0.363 3.551 3.960 -0.077 0.000 0.264 36 G HA3 -0.363 3.559 3.960 -0.064 0.000 0.264 36 G C -0.998 173.879 174.900 -0.038 0.000 0.975 36 G CA 0.770 45.828 45.100 -0.071 0.000 0.642 36 G HN 0.070 8.224 8.290 -0.142 0.050 0.536 37 R N -5.638 114.845 120.500 -0.028 0.000 3.804 37 R HA -0.445 4.141 4.340 0.017 -0.235 0.286 37 R C -1.554 174.752 176.300 0.010 0.000 1.192 37 R CA 0.664 56.765 56.100 0.002 0.000 0.801 37 R CB -2.760 27.545 30.300 0.007 0.000 1.180 37 R HN 0.193 8.322 8.270 -0.046 0.114 0.509 38 V N -1.268 118.649 119.914 0.005 0.000 2.851 38 V HA 0.137 4.266 4.120 0.016 0.000 0.307 38 V C -0.968 175.135 176.094 0.015 0.000 1.129 38 V CA -0.359 61.947 62.300 0.010 0.000 0.932 38 V CB 2.160 33.985 31.823 0.003 0.000 1.024 38 V HN -0.863 7.265 8.190 -0.004 0.060 0.426 39 G N 6.966 115.779 108.800 0.023 0.000 2.293 39 G HA2 0.028 4.004 3.960 0.026 0.000 0.282 39 G HA3 0.028 4.007 3.960 0.031 0.000 0.282 39 G C -2.392 172.532 174.900 0.040 0.000 1.299 39 G CA -0.243 44.875 45.100 0.030 0.000 1.018 39 G HN 0.043 8.347 8.290 0.022 0.000 0.478 40 R N 0.154 120.684 120.500 0.051 0.000 2.707 40 R HA 0.157 4.533 4.340 0.061 0.000 0.272 40 R C -1.766 174.581 176.300 0.079 0.000 1.011 40 R CA -0.933 55.202 56.100 0.059 0.000 0.893 40 R CB 2.439 32.767 30.300 0.047 0.000 1.233 40 R HN 0.066 8.367 8.270 0.051 0.000 0.464 41 A N 2.786 125.663 122.820 0.094 0.000 2.563 41 A HA -0.079 4.318 4.320 0.129 0.000 0.256 41 A C 0.012 177.660 177.584 0.107 0.000 1.056 41 A CA 1.019 53.124 52.037 0.114 0.000 0.775 41 A CB -0.147 18.925 19.000 0.121 0.000 0.973 41 A HN 0.384 8.587 8.150 0.088 0.000 0.516 42 S N 4.095 119.868 115.700 0.121 0.000 2.447 42 S HA -0.235 4.304 4.470 0.115 0.000 0.233 42 S C 0.202 174.898 174.600 0.159 0.000 1.006 42 S CA 1.144 59.424 58.200 0.134 0.000 0.957 42 S CB 0.447 63.730 63.200 0.139 0.000 0.773 42 S HN 0.450 8.837 8.310 0.128 0.000 0.507 43 D N -1.091 119.397 120.400 0.146 0.000 2.720 43 D HA -0.345 4.366 4.640 0.118 0.000 0.229 43 D C -0.860 175.526 176.300 0.142 0.000 1.198 43 D CA 1.195 55.269 54.000 0.124 0.000 0.639 43 D CB -2.733 38.117 40.800 0.084 0.000 1.003 43 D HN -0.208 8.206 8.370 0.140 0.040 0.411 44 Y N 0.464 120.797 120.300 0.055 0.000 2.476 44 Y HA -0.005 4.568 4.550 0.038 0.000 0.283 44 Y C 0.018 175.940 175.900 0.036 0.000 1.109 44 Y CA 1.697 59.825 58.100 0.046 0.000 1.246 44 Y CB 1.232 39.725 38.460 0.054 0.000 1.068 44 Y HN -0.422 8.282 8.280 0.284 -0.254 0.552 45 G N -1.611 107.263 108.800 0.123 0.000 3.899 45 G HA2 0.303 4.237 3.960 -0.043 0.000 0.293 45 G HA3 0.303 4.324 3.960 0.102 0.000 0.293 45 G C -0.500 174.411 174.900 0.018 0.000 1.054 45 G CA -0.780 44.347 45.100 0.045 0.000 0.846 45 G HN -0.758 7.854 8.290 0.186 -0.211 0.525 46 M N -0.758 118.847 119.600 0.008 0.000 2.267 46 M HA -0.285 4.210 4.480 0.024 0.000 0.263 46 M C -0.468 175.824 176.300 -0.014 0.000 1.063 46 M CA 1.652 56.956 55.300 0.007 0.000 1.090 46 M CB 0.226 32.829 32.600 0.006 0.000 1.392 46 M HN -0.271 7.952 8.290 0.004 0.069 0.422 47 K N -2.020 118.355 120.400 -0.040 0.000 2.234 47 K HA -0.187 4.110 4.320 -0.040 0.000 0.251 47 K C -0.106 176.474 176.600 -0.033 0.000 1.011 47 K CA 0.658 56.917 56.287 -0.047 0.000 0.889 47 K CB 0.539 32.992 32.500 -0.077 0.000 1.011 47 K HN -0.399 7.781 8.250 -0.061 0.034 0.505 48 L N -0.617 120.586 121.223 -0.032 0.000 3.472 48 L HA -0.159 4.165 4.340 -0.026 0.000 0.596 48 L C -2.341 174.525 176.870 -0.007 0.000 1.310 48 L CA -0.296 54.531 54.840 -0.023 0.000 0.966 48 L CB -1.548 40.496 42.059 -0.024 0.000 1.626 48 L HN 0.370 8.578 8.230 -0.037 0.000 0.865 49 P HA -0.060 4.360 4.420 0.001 0.000 0.261 49 P C -0.539 176.767 177.300 0.009 0.000 1.183 49 P CA 0.051 63.150 63.100 -0.002 0.000 0.761 49 P CB 0.368 32.062 31.700 -0.010 0.000 0.785 50 I N 3.257 123.843 120.570 0.026 0.000 2.775 50 I HA -0.274 3.924 4.170 0.047 0.000 0.290 50 I C 1.823 177.962 176.117 0.036 0.000 1.203 50 I CA 0.750 62.078 61.300 0.047 0.000 1.433 50 I CB 0.997 39.048 38.000 0.085 0.000 1.354 50 I HN 0.060 8.285 8.210 0.026 0.000 0.579 51 L N 7.522 128.767 121.223 0.036 0.000 2.068 51 L HA -0.150 4.197 4.340 0.012 0.000 0.204 51 L C 1.527 178.420 176.870 0.039 0.000 1.076 51 L CA 2.764 57.618 54.840 0.024 0.000 0.753 51 L CB -0.331 41.736 42.059 0.014 0.000 0.910 51 L HN 0.199 8.454 8.230 0.041 0.000 0.439 52 R N -1.418 119.121 120.500 0.064 0.000 3.385 52 R HA 0.011 4.389 4.340 0.064 0.000 0.236 52 R C -1.164 175.204 176.300 0.112 0.000 1.663 52 R CA -0.427 55.723 56.100 0.083 0.000 1.444 52 R CB -1.922 28.436 30.300 0.097 0.000 1.218 52 R HN 0.214 8.525 8.270 0.069 0.000 0.575 53 S N -2.080 113.661 115.700 0.069 0.000 2.566 53 S HA 0.041 4.523 4.470 0.021 0.000 0.273 53 S C -1.506 173.069 174.600 -0.042 0.000 1.157 53 S CA -0.695 57.516 58.200 0.019 0.000 0.938 53 S CB 2.114 65.336 63.200 0.036 0.000 1.087 53 S HN -0.443 7.766 8.310 0.047 0.129 0.474 54 N N 7.231 125.881 118.700 -0.084 0.000 2.441 54 N HA 0.031 4.741 4.740 -0.050 0.000 0.251 54 N C -0.448 175.011 175.510 -0.085 0.000 1.242 54 N CA -0.803 52.200 53.050 -0.078 0.000 0.898 54 N CB 0.731 39.161 38.487 -0.095 0.000 1.100 54 N HN -0.066 8.325 8.380 -0.106 -0.076 0.443 55 P HA -0.353 4.046 4.420 -0.036 0.000 0.220 55 P C 0.821 178.097 177.300 -0.039 0.000 1.155 55 P CA 3.017 66.092 63.100 -0.042 0.000 0.880 55 P CB -0.024 31.658 31.700 -0.029 0.000 0.790 56 E N -4.479 115.701 120.200 -0.033 0.000 2.021 56 E HA -0.343 4.073 4.350 0.109 0.000 0.189 56 E C 1.457 178.052 176.600 -0.009 0.000 0.980 56 E CA 3.297 59.728 56.400 0.053 0.000 0.803 56 E CB -0.863 28.860 29.700 0.040 0.000 0.766 56 E HN 0.425 8.732 8.360 -0.052 0.021 0.449 57 D N -2.124 118.186 120.400 -0.150 0.000 2.378 57 D HA -0.218 4.214 4.640 -0.346 0.000 0.227 57 D C 1.457 177.466 176.300 -0.485 0.000 1.012 57 D CA 1.921 55.676 54.000 -0.408 0.000 0.905 57 D CB -1.233 39.215 40.800 -0.587 0.000 0.895 57 D HN 0.100 8.383 8.370 -0.145 0.000 0.532 58 Q N 1.026 120.678 119.800 -0.247 0.000 1.984 58 Q HA -0.260 4.026 4.340 -0.091 0.000 0.196 58 Q C 2.043 177.980 176.000 -0.106 0.000 0.975 58 Q CA 2.931 58.658 55.803 -0.127 0.000 0.827 58 Q CB 0.139 28.836 28.738 -0.067 0.000 0.894 58 Q HN -0.108 7.922 8.270 -0.180 0.132 0.438 59 V N 0.195 120.033 119.914 -0.127 0.000 2.370 59 V HA -0.397 3.694 4.120 -0.049 0.000 0.252 59 V C 0.868 176.853 176.094 -0.181 0.000 1.068 59 V CA 3.249 65.481 62.300 -0.112 0.000 1.061 59 V CB -0.055 31.725 31.823 -0.073 0.000 0.656 59 V HN -0.713 7.413 8.190 -0.108 0.000 0.455 60 L N -2.614 118.361 121.223 -0.415 0.000 1.961 60 L HA -0.234 3.940 4.340 -0.276 0.000 0.209 60 L C 1.430 178.285 176.870 -0.025 0.000 1.075 60 L CA 2.705 57.332 54.840 -0.355 0.000 0.749 60 L CB 0.027 41.724 42.059 -0.603 0.000 0.890 60 L HN -0.864 7.023 8.230 -0.560 0.007 0.433 61 Y N -5.303 114.899 120.300 -0.163 0.000 2.639 61 Y HA -0.215 4.276 4.550 -0.099 0.000 0.289 61 Y C 0.770 176.633 175.900 -0.061 0.000 1.155 61 Y CA 1.103 59.148 58.100 -0.092 0.000 1.379 61 Y CB -1.413 37.017 38.460 -0.049 0.000 0.967 61 Y HN -0.453 7.707 8.280 -0.027 0.103 0.569 62 Q N -2.839 117.010 119.800 0.083 0.000 3.087 62 Q HA 0.139 4.524 4.340 0.074 0.000 0.202 62 Q C -0.938 175.085 176.000 0.038 0.000 1.163 62 Q CA -0.687 55.150 55.803 0.057 0.000 0.389 62 Q CB 2.390 31.152 28.738 0.041 0.000 5.541 62 Q HN -0.534 7.597 8.270 0.034 0.160 0.301 63 T N -5.266 109.313 114.554 0.043 0.000 0.541 63 T HA -0.481 3.910 4.350 0.068 0.000 0.774 63 T C -1.570 173.182 174.700 0.087 0.000 0.992 63 T CA 0.409 62.546 62.100 0.062 0.000 4.077 63 T CB 0.106 69.010 68.868 0.060 0.000 2.303 63 T HN 0.162 8.423 8.240 0.036 0.000 0.398 64 E N -0.025 120.248 120.200 0.122 0.000 2.331 64 E HA 0.421 4.861 4.350 0.151 0.000 0.275 64 E C -1.732 174.982 176.600 0.191 0.000 0.895 64 E CA -1.444 55.051 56.400 0.159 0.000 0.753 64 E CB 3.606 33.411 29.700 0.175 0.000 1.216 64 E HN 0.104 8.539 8.360 0.126 0.000 0.434 65 R N 2.319 122.958 120.500 0.233 0.000 2.621 65 R HA 0.361 4.839 4.340 0.230 0.000 0.284 65 R C -2.046 174.482 176.300 0.379 0.000 0.998 65 R CA -0.642 55.612 56.100 0.256 0.000 0.895 65 R CB 3.930 34.353 30.300 0.206 0.000 1.195 65 R HN -0.179 8.238 8.270 0.245 0.000 0.450 66 Y N 3.665 124.083 120.300 0.197 0.000 2.364 66 Y HA 0.129 4.954 4.550 0.459 0.000 0.340 66 Y C -1.870 174.064 175.900 0.056 0.000 0.975 66 Y CA -0.642 57.606 58.100 0.247 0.000 1.089 66 Y CB 1.919 40.489 38.460 0.185 0.000 1.192 66 Y HN 0.174 8.622 8.280 0.326 0.028 0.454 67 N N 5.805 124.025 118.700 -0.800 0.000 2.531 67 N HA -0.073 4.295 4.740 -0.621 0.000 0.223 67 N C -1.504 173.392 175.510 -1.023 0.000 1.023 67 N CA 0.722 53.125 53.050 -1.079 0.000 1.124 67 N CB 1.058 38.432 38.487 -1.856 0.000 1.427 67 N HN 0.438 8.480 8.380 -0.564 0.000 0.558 68 E N -3.917 115.692 120.200 -0.985 0.000 1.828 68 E HA -0.075 4.010 4.350 -0.441 0.000 0.253 68 E C -2.548 174.100 176.600 0.080 0.000 1.065 68 E CA 0.613 56.777 56.400 -0.393 0.000 1.718 68 E CB 1.021 30.581 29.700 -0.234 0.000 3.776 68 E HN 0.043 7.657 8.360 -1.244 0.000 0.951 69 D N -3.428 117.102 120.400 0.216 0.000 2.751 69 D HA 0.006 4.903 4.640 0.427 0.000 0.236 69 D C -1.797 174.699 176.300 0.327 0.000 1.196 69 D CA -0.537 53.658 54.000 0.326 0.000 0.741 69 D CB 1.264 42.146 40.800 0.137 0.000 1.474 69 D HN -0.618 7.735 8.370 -0.029 0.000 0.452 70 S N -0.123 115.757 115.700 0.301 0.000 3.341 70 S HA -0.421 4.388 4.470 0.136 -0.257 0.414 70 S C -1.020 173.696 174.600 0.193 0.000 0.869 70 S CA 0.748 59.054 58.200 0.176 0.000 1.349 70 S CB -0.537 62.708 63.200 0.076 0.000 0.938 70 S HN 0.136 8.601 8.310 0.258 0.000 0.615 71 F N 2.581 122.346 119.950 -0.309 0.000 2.389 71 F HA 0.119 4.461 4.527 -0.309 0.000 0.337 71 F C -0.141 175.356 175.800 -0.505 0.000 1.112 71 F CA -1.730 55.999 58.000 -0.452 0.000 1.192 71 F CB 1.054 39.744 39.000 -0.516 0.000 1.185 71 F HN -0.783 7.565 8.300 0.080 0.000 0.552 72 G N -0.123 108.542 108.800 -0.225 0.000 2.707 72 G HA2 0.249 4.333 3.960 -0.037 0.000 0.299 72 G HA3 0.249 4.149 3.960 -0.100 0.000 0.299 72 G C -2.111 172.685 174.900 -0.173 0.000 1.442 72 G CA -0.445 44.576 45.100 -0.131 0.000 1.009 72 G HN -0.113 8.009 8.290 -0.281 0.000 0.515 73 Y N 1.414 121.697 120.300 -0.030 0.000 2.420 73 Y HA 0.163 4.782 4.550 0.115 0.000 0.334 73 Y C -1.349 174.528 175.900 -0.039 0.000 1.094 73 Y CA -1.292 56.844 58.100 0.061 0.000 1.126 73 Y CB 3.186 41.758 38.460 0.186 0.000 1.217 73 Y HN -0.221 8.291 8.280 0.387 0.000 0.462 74 D N -1.204 119.251 120.400 0.091 0.000 2.502 74 D HA 0.438 5.155 4.640 -0.102 -0.138 0.249 74 D C -1.511 174.569 176.300 -0.367 0.000 1.092 74 D CA -0.969 52.980 54.000 -0.083 0.000 0.839 74 D CB 2.342 43.131 40.800 -0.018 0.000 1.264 74 D HN 0.059 8.562 8.370 0.221 0.000 0.511 75 I N 1.233 121.512 120.570 -0.485 0.000 2.555 75 I HA 0.334 3.772 4.170 -1.220 0.000 0.275 75 I C -1.950 174.015 176.117 -0.253 0.000 1.082 75 I CA -3.545 57.304 61.300 -0.751 0.000 1.167 75 I CB 1.532 39.047 38.000 -0.808 0.000 1.312 75 I HN 0.590 8.622 8.210 -0.296 0.000 0.493 76 P HA 0.022 4.669 4.420 0.095 -0.170 0.263 76 P C -0.972 176.385 177.300 0.094 0.000 1.195 76 P CA -0.003 63.127 63.100 0.049 0.000 0.762 76 P CB 0.021 31.760 31.700 0.066 0.000 0.799 77 I N 4.003 124.688 120.570 0.190 0.000 2.740 77 I HA 0.132 4.335 4.170 0.056 0.000 0.303 77 I C -0.847 175.261 176.117 -0.015 0.000 1.044 77 I CA -1.127 60.184 61.300 0.017 0.000 1.064 77 I CB 2.505 40.313 38.000 -0.319 0.000 1.249 77 I HN -0.322 8.134 8.210 0.410 0.000 0.433 78 K N 0.672 121.045 120.400 -0.045 0.000 2.585 78 K HA 0.109 4.411 4.320 -0.030 0.000 0.210 78 K C -1.129 175.446 176.600 -0.041 0.000 1.294 78 K CA -0.219 56.053 56.287 -0.024 0.000 1.025 78 K CB 1.123 33.646 32.500 0.039 0.000 1.076 78 K HN 0.249 8.495 8.250 -0.007 0.000 0.613 79 E N -0.307 119.871 120.200 -0.037 0.000 2.393 79 E HA 0.260 4.611 4.350 0.001 0.000 0.265 79 E C -1.154 175.454 176.600 0.013 0.000 0.941 79 E CA -1.645 54.775 56.400 0.033 0.000 0.801 79 E CB 2.591 32.363 29.700 0.120 0.000 1.313 79 E HN -0.254 8.079 8.360 -0.046 0.000 0.435 80 E N -1.709 118.534 120.200 0.072 0.000 2.355 80 E HA 0.167 4.474 4.350 -0.072 0.000 0.261 80 E C -1.263 175.485 176.600 0.247 0.000 0.943 80 E CA -1.354 55.086 56.400 0.067 0.000 0.806 80 E CB 2.357 32.037 29.700 -0.033 0.000 1.286 80 E HN 0.288 8.688 8.360 0.067 0.000 0.424 81 G N -1.977 106.955 108.800 0.220 0.000 2.278 81 G HA2 -0.154 3.857 3.960 0.086 0.000 0.265 81 G HA3 -0.154 3.889 3.960 0.138 0.000 0.265 81 G C -2.439 172.595 174.900 0.222 0.000 1.329 81 G CA -0.222 44.981 45.100 0.172 0.000 1.017 81 G HN -0.088 8.270 8.290 0.113 0.000 0.472 82 E N 2.302 122.577 120.200 0.126 0.000 2.046 82 E HA 0.587 5.211 4.350 0.143 -0.188 0.279 82 E C -0.902 175.773 176.600 0.125 0.000 0.989 82 E CA -1.291 55.179 56.400 0.117 0.000 0.798 82 E CB 0.777 30.495 29.700 0.029 0.000 1.086 82 E HN -0.138 8.248 8.360 0.044 0.000 0.399 83 Y N 4.522 124.785 120.300 -0.061 0.000 2.326 83 Y HA 0.045 4.558 4.550 -0.062 0.000 0.337 83 Y C -0.459 175.395 175.900 -0.077 0.000 1.023 83 Y CA -0.724 57.336 58.100 -0.066 0.000 1.143 83 Y CB 1.050 39.468 38.460 -0.069 0.000 1.183 83 Y HN -0.027 8.478 8.280 0.376 0.000 0.485 84 V N 3.213 123.114 119.914 -0.023 0.000 2.357 84 V HA 0.145 4.240 4.120 -0.042 0.000 0.284 84 V C -1.717 174.285 176.094 -0.153 0.000 1.018 84 V CA -1.052 61.198 62.300 -0.085 0.000 0.841 84 V CB 1.367 33.114 31.823 -0.127 0.000 0.991 84 V HN 0.126 8.255 8.190 -0.100 0.000 0.437 85 L N 9.419 130.578 121.223 -0.107 0.000 2.259 85 L HA 0.377 4.619 4.340 -0.164 0.000 0.288 85 L C -1.737 175.025 176.870 -0.179 0.000 1.051 85 L CA -0.869 53.895 54.840 -0.128 0.000 0.824 85 L CB 0.900 42.934 42.059 -0.042 0.000 1.206 85 L HN -0.261 7.931 8.230 -0.062 0.000 0.429 86 V N 7.367 127.093 119.914 -0.314 0.000 2.459 86 V HA 0.790 5.009 4.120 -0.188 -0.212 0.295 86 V C -1.512 174.474 176.094 -0.181 0.000 1.029 86 V CA -1.728 60.413 62.300 -0.266 0.000 0.874 86 V CB 1.753 33.374 31.823 -0.337 0.000 0.985 86 V HN 0.311 8.217 8.190 -0.472 0.000 0.438 87 L N 0.536 121.637 121.223 -0.204 0.000 2.434 87 L HA 0.661 5.025 4.340 -0.193 -0.139 0.260 87 L C -2.001 174.615 176.870 -0.424 0.000 0.983 87 L CA -2.062 52.597 54.840 -0.302 0.000 0.820 87 L CB 3.237 45.042 42.059 -0.422 0.000 1.361 87 L HN -0.059 8.048 8.230 -0.205 0.000 0.410 88 K N 1.717 121.818 120.400 -0.498 0.000 2.293 88 K HA 0.623 4.927 4.320 -0.408 -0.229 0.267 88 K C -1.133 175.231 176.600 -0.393 0.000 1.010 88 K CA -1.243 54.754 56.287 -0.484 0.000 0.875 88 K CB 1.266 33.318 32.500 -0.746 0.000 1.106 88 K HN -0.339 7.540 8.250 -0.448 0.102 0.450 89 F N 5.250 125.094 119.950 -0.178 0.000 2.422 89 F HA 0.358 4.994 4.527 -0.105 -0.173 0.333 89 F C -1.232 174.578 175.800 0.017 0.000 1.095 89 F CA -1.576 56.369 58.000 -0.092 0.000 1.038 89 F CB 3.667 42.611 39.000 -0.093 0.000 1.156 89 F HN 0.009 8.140 8.300 -0.113 0.101 0.483 90 A N -0.424 122.549 122.820 0.256 0.000 2.612 90 A HA 0.342 4.778 4.320 0.194 0.000 0.293 90 A C -2.605 175.071 177.584 0.153 0.000 1.075 90 A CA -0.689 51.456 52.037 0.179 0.000 0.680 90 A CB 3.314 22.391 19.000 0.129 0.000 1.279 90 A HN -0.120 8.201 8.150 0.284 0.000 0.411 91 E N -0.630 119.652 120.200 0.136 0.000 8.683 91 E HA -0.291 4.133 4.350 0.124 0.000 0.467 91 E C -1.627 175.065 176.600 0.153 0.000 1.143 91 E CA 0.998 57.475 56.400 0.127 0.000 1.985 91 E CB 0.453 30.212 29.700 0.099 0.000 1.008 91 E HN 0.539 8.978 8.360 0.132 0.000 0.308 92 V N 2.277 122.296 119.914 0.174 0.000 4.472 92 V HA 0.051 4.301 4.120 0.216 0.000 0.397 92 V C -1.264 175.012 176.094 0.303 0.000 1.823 92 V CA 0.606 63.045 62.300 0.233 0.000 1.781 92 V CB 1.051 33.030 31.823 0.259 0.000 1.044 92 V HN 0.362 8.639 8.190 0.145 0.000 0.401 93 Y N 0.869 121.189 120.300 0.032 0.000 2.526 93 Y HA -0.411 4.001 4.550 -0.229 0.000 0.022 93 Y C -1.820 174.021 175.900 -0.098 0.000 1.721 93 Y CA 2.225 60.213 58.100 -0.186 0.000 1.405 93 Y CB -0.580 37.680 38.460 -0.333 0.000 2.052 93 Y HN -0.779 7.780 8.280 0.122 -0.206 0.257 94 F N -1.511 118.641 119.950 0.337 0.000 2.132 94 F HA -0.273 4.324 4.527 0.116 0.000 0.500 94 F C -0.888 174.827 175.800 -0.143 0.000 1.266 94 F CA -0.194 57.875 58.000 0.115 0.000 1.605 94 F CB -0.268 38.779 39.000 0.078 0.000 2.568 94 F HN -0.235 7.929 8.300 -0.227 0.000 0.724 95 A N 3.973 126.742 122.820 -0.086 0.000 2.922 95 A HA 0.094 3.817 4.320 -0.995 0.000 0.298 95 A C -0.885 176.194 177.584 -0.843 0.000 1.588 95 A CA -0.103 51.580 52.037 -0.590 0.000 1.288 95 A CB -0.412 18.492 19.000 -0.160 0.000 1.130 95 A HN 0.348 8.527 8.150 0.049 0.000 0.557 96 Q N 2.554 121.739 119.800 -1.026 0.000 2.423 96 Q HA 0.251 4.302 4.340 -0.481 0.000 0.278 96 Q C -1.930 173.763 176.000 -0.512 0.000 1.097 96 Q CA -1.753 53.689 55.803 -0.601 0.000 0.809 96 Q CB 4.005 32.560 28.738 -0.305 0.000 1.391 96 Q HN -0.378 7.259 8.270 -1.056 0.000 0.428 97 S N -0.191 115.397 115.700 -0.185 0.000 2.568 97 S HA 0.125 4.678 4.470 0.140 0.000 0.302 97 S C -0.041 174.529 174.600 -0.050 0.000 1.082 97 S CA -1.605 56.611 58.200 0.027 0.000 1.009 97 S CB 2.469 65.751 63.200 0.136 0.000 1.069 97 S HN -0.017 8.188 8.310 -0.175 0.000 0.500 98 Q N -0.046 119.737 119.800 -0.029 0.000 2.436 98 Q HA -0.454 3.853 4.340 -0.055 0.000 0.264 98 Q C -0.757 175.146 176.000 -0.161 0.000 1.093 98 Q CA 1.977 57.737 55.803 -0.072 0.000 0.994 98 Q CB -0.896 27.810 28.738 -0.054 0.000 1.434 98 Q HN 0.740 9.150 8.270 0.024 -0.126 0.520 99 Q N -4.254 115.416 119.800 -0.216 0.000 2.619 99 Q HA 0.170 4.213 4.340 -0.494 0.000 0.230 99 Q C 0.867 176.585 176.000 -0.470 0.000 0.871 99 Q CA 0.948 56.511 55.803 -0.400 0.000 0.934 99 Q CB 1.218 29.744 28.738 -0.353 0.000 1.183 99 Q HN -0.469 7.764 8.270 -0.158 -0.058 0.631 100 K N 1.561 121.802 120.400 -0.265 0.000 2.187 100 K HA 0.053 4.197 4.320 -0.294 0.000 0.242 100 K C -1.686 174.729 176.600 -0.309 0.000 1.179 100 K CA -0.860 55.283 56.287 -0.240 0.000 1.097 100 K CB -1.780 30.705 32.500 -0.025 0.000 1.634 100 K HN -0.239 7.934 8.250 -0.188 -0.036 0.335 101 V N -1.696 117.997 119.914 -0.369 0.000 2.547 101 V HA 0.386 4.473 4.120 -0.164 -0.066 0.299 101 V C -1.988 173.799 176.094 -0.511 0.000 1.040 101 V CA -1.755 60.381 62.300 -0.272 0.000 0.913 101 V CB 2.780 34.555 31.823 -0.081 0.000 0.992 101 V HN -0.644 7.352 8.190 -0.266 0.035 0.449 102 F N 3.077 123.028 119.950 0.001 0.000 2.764 102 F HA 0.361 4.890 4.527 0.003 0.000 0.347 102 F C -1.056 174.734 175.800 -0.017 0.000 1.151 102 F CA -1.337 56.645 58.000 -0.031 0.000 1.021 102 F CB 4.277 43.192 39.000 -0.140 0.000 1.438 102 F HN 0.085 8.404 8.300 0.053 0.012 0.516 103 D N -0.112 120.440 120.400 0.254 0.000 2.498 103 D HA 0.421 5.263 4.640 0.132 -0.123 0.247 103 D C -1.811 174.602 176.300 0.190 0.000 1.070 103 D CA -0.314 53.786 54.000 0.166 0.000 0.842 103 D CB 3.681 44.560 40.800 0.132 0.000 1.361 103 D HN -0.039 8.536 8.370 0.342 0.000 0.484 104 V N 1.164 121.175 119.914 0.163 0.000 2.531 104 V HA 0.250 4.536 4.120 0.277 0.000 0.301 104 V C -1.978 174.212 176.094 0.159 0.000 1.034 104 V CA -1.658 60.764 62.300 0.202 0.000 0.865 104 V CB 3.137 35.081 31.823 0.203 0.000 0.995 104 V HN -0.003 8.266 8.190 0.132 0.000 0.424 105 R N 5.958 126.552 120.500 0.155 0.000 2.750 105 R HA 0.650 5.214 4.340 0.122 -0.151 0.281 105 R C -1.820 174.547 176.300 0.111 0.000 0.972 105 R CA -2.431 53.739 56.100 0.116 0.000 0.912 105 R CB 3.608 33.951 30.300 0.071 0.000 1.187 105 R HN 0.258 8.638 8.270 0.184 0.000 0.464 106 V N 1.102 121.091 119.914 0.124 0.000 2.407 106 V HA 0.117 4.382 4.120 0.082 -0.095 0.291 106 V C 0.278 176.459 176.094 0.146 0.000 1.018 106 V CA -1.299 61.069 62.300 0.114 0.000 0.842 106 V CB 1.125 33.009 31.823 0.102 0.000 0.996 106 V HN 0.356 8.551 8.190 0.159 0.091 0.426 107 N N 7.628 126.375 118.700 0.080 0.000 2.693 107 N HA -0.414 4.393 4.740 0.004 -0.065 0.249 107 N C -0.302 175.192 175.510 -0.026 0.000 1.119 107 N CA 1.503 54.589 53.050 0.059 0.000 0.717 107 N CB -0.377 38.197 38.487 0.145 0.000 1.071 107 N HN 0.841 9.178 8.380 0.049 0.072 0.555 108 G N -6.124 102.637 108.800 -0.064 0.000 2.130 108 G HA2 -0.367 3.529 3.960 -0.108 0.000 0.216 108 G HA3 -0.367 3.440 3.960 -0.255 0.000 0.216 108 G C -1.343 173.359 174.900 -0.330 0.000 0.999 108 G CA 0.034 45.021 45.100 -0.189 0.000 0.686 108 G HN -0.454 7.796 8.290 -0.001 0.039 0.515 109 H N 0.484 119.564 119.070 0.018 0.000 2.708 109 H HA 0.306 4.873 4.556 0.018 0.000 0.320 109 H C -0.496 174.853 175.328 0.035 0.000 0.991 109 H CA -1.415 54.646 56.048 0.022 0.000 1.243 109 H CB 1.603 31.375 29.762 0.017 0.000 1.446 109 H HN -0.726 7.551 8.280 0.095 0.060 0.502 110 T N 4.089 118.719 114.554 0.128 0.000 2.793 110 T HA -0.097 4.562 4.350 0.106 -0.245 0.289 110 T C 0.062 174.825 174.700 0.106 0.000 0.956 110 T CA 0.746 62.909 62.100 0.105 0.000 1.177 110 T CB -0.217 68.698 68.868 0.078 0.000 0.897 110 T HN 0.662 8.961 8.240 0.097 0.000 0.533 111 V N 4.850 124.824 119.914 0.100 0.000 3.307 111 V HA 0.275 4.437 4.120 0.070 0.000 0.244 111 V C -0.238 175.901 176.094 0.076 0.000 1.196 111 V CA 0.810 63.158 62.300 0.080 0.000 1.132 111 V CB 1.246 33.112 31.823 0.073 0.000 0.875 111 V HN 0.637 8.892 8.190 0.109 0.000 0.468 112 V N 0.363 120.330 119.914 0.089 0.000 2.380 112 V HA 0.216 4.381 4.120 0.075 0.000 0.272 112 V C -1.801 174.344 176.094 0.085 0.000 1.011 112 V CA -1.410 60.941 62.300 0.086 0.000 0.826 112 V CB -0.962 30.920 31.823 0.098 0.000 1.040 112 V HN -0.741 7.510 8.190 0.101 0.000 0.441 113 K N 3.547 123.990 120.400 0.072 0.000 2.385 113 K HA 0.230 4.704 4.320 0.082 -0.105 0.229 113 K C -0.812 175.821 176.600 0.056 0.000 1.089 113 K CA -0.498 55.830 56.287 0.069 0.000 1.060 113 K CB -0.474 32.062 32.500 0.060 0.000 1.698 113 K HN 0.318 8.607 8.250 0.065 0.000 0.469 114 D N -3.357 117.078 120.400 0.059 0.000 4.450 114 D HA -0.036 4.621 4.640 0.028 0.000 0.102 114 D C -2.223 174.104 176.300 0.045 0.000 0.474 114 D CA 0.058 54.081 54.000 0.040 0.000 0.619 114 D CB -1.905 38.914 40.800 0.031 0.000 1.628 114 D HN 0.392 8.763 8.370 0.074 0.044 0.235 115 L N 1.023 122.288 121.223 0.070 0.000 2.699 115 L HA -0.167 4.219 4.340 0.077 0.000 0.283 115 L C -1.031 175.891 176.870 0.088 0.000 1.166 115 L CA 0.966 55.846 54.840 0.066 0.000 1.043 115 L CB -0.343 41.695 42.059 -0.035 0.000 1.369 115 L HN -0.152 8.033 8.230 0.088 0.097 0.462 116 D N 6.806 127.240 120.400 0.056 0.000 2.493 116 D HA 0.238 5.167 4.640 0.073 -0.245 0.235 116 D C 0.520 176.851 176.300 0.052 0.000 1.117 116 D CA -2.156 51.876 54.000 0.053 0.000 0.930 116 D CB 0.411 41.223 40.800 0.020 0.000 1.010 116 D HN -0.289 8.110 8.370 0.048 0.000 0.514 117 I N 3.721 124.345 120.570 0.089 0.000 2.194 117 I HA -0.497 3.664 4.170 -0.015 0.000 0.246 117 I C 0.973 177.095 176.117 0.008 0.000 1.093 117 I CA 2.938 64.271 61.300 0.054 0.000 1.355 117 I CB -0.069 38.013 38.000 0.136 0.000 1.046 117 I HN -0.242 8.046 8.210 0.130 0.000 0.413 118 F N 0.907 120.840 119.950 -0.029 0.000 2.014 118 F HA -0.444 4.061 4.527 -0.037 0.000 0.295 118 F C 1.544 177.294 175.800 -0.084 0.000 1.145 118 F CA 3.164 61.138 58.000 -0.043 0.000 1.178 118 F CB 0.228 39.219 39.000 -0.015 0.000 0.972 118 F HN -0.586 7.865 8.300 0.270 0.011 0.476 119 D N -1.895 118.600 120.400 0.158 0.000 2.228 119 D HA -0.321 4.333 4.640 0.024 0.000 0.203 119 D C 2.122 178.346 176.300 -0.127 0.000 0.988 119 D CA 2.816 56.829 54.000 0.022 0.000 0.864 119 D CB 0.057 40.895 40.800 0.064 0.000 0.928 119 D HN -0.270 8.631 8.370 0.306 -0.347 0.469 120 R N -2.071 118.318 120.500 -0.185 0.000 2.064 120 R HA -0.192 4.033 4.340 -0.192 0.000 0.228 120 R C 1.974 178.102 176.300 -0.286 0.000 1.144 120 R CA 2.349 58.276 56.100 -0.287 0.000 0.932 120 R CB 0.266 30.198 30.300 -0.614 0.000 0.833 120 R HN -0.258 7.790 8.270 -0.149 0.134 0.429 121 V N -7.884 111.837 119.914 -0.323 0.000 2.788 121 V HA 0.206 4.221 4.120 -0.175 0.000 0.241 121 V C 0.835 176.754 176.094 -0.291 0.000 1.083 121 V CA -0.162 61.999 62.300 -0.232 0.000 1.103 121 V CB 1.140 32.873 31.823 -0.150 0.000 0.800 121 V HN -0.536 7.440 8.190 -0.357 0.000 0.476 122 G N -0.559 107.943 108.800 -0.498 0.000 2.680 122 G HA2 -0.252 2.978 3.960 -1.305 0.000 0.222 122 G HA3 -0.252 3.358 3.960 -0.583 0.000 0.222 122 G C -1.324 173.081 174.900 -0.825 0.000 1.460 122 G CA -0.394 44.206 45.100 -0.833 0.000 1.275 122 G HN -0.305 7.691 8.290 -0.489 0.000 0.506 123 H N 2.912 121.779 119.070 -0.338 0.000 2.767 123 H HA 0.093 4.598 4.556 -0.087 0.000 0.380 123 H C 0.642 175.919 175.328 -0.084 0.000 1.409 123 H CA 0.182 56.144 56.048 -0.143 0.000 1.463 123 H CB 0.485 30.207 29.762 -0.067 0.000 1.514 123 H HN 0.149 8.251 8.280 -0.297 0.000 0.619 124 S N 0.451 116.239 115.700 0.146 0.000 2.490 124 S HA -0.285 4.247 4.470 0.103 0.000 0.243 124 S C 0.801 175.446 174.600 0.075 0.000 1.052 124 S CA 2.702 60.960 58.200 0.096 0.000 1.254 124 S CB -0.213 63.033 63.200 0.077 0.000 1.191 124 S HN 0.447 8.880 8.310 0.205 0.000 0.422 125 T N -3.560 111.036 114.554 0.070 0.000 0.547 125 T HA -0.372 4.014 4.350 0.061 0.000 0.773 125 T C -1.688 173.066 174.700 0.090 0.000 0.992 125 T CA 1.277 63.418 62.100 0.067 0.000 4.072 125 T CB 0.053 68.953 68.868 0.053 0.000 2.301 125 T HN -0.114 8.165 8.240 0.064 0.000 0.398 126 A N -0.039 122.843 122.820 0.103 0.000 2.330 126 A HA 0.104 4.500 4.320 0.127 0.000 0.327 126 A C -1.522 176.156 177.584 0.157 0.000 1.155 126 A CA -0.968 51.145 52.037 0.127 0.000 0.803 126 A CB 2.010 21.101 19.000 0.151 0.000 1.208 126 A HN -0.130 8.076 8.150 0.093 0.000 0.477 127 H N 3.080 122.169 119.070 0.032 0.000 2.529 127 H HA 0.319 4.893 4.556 0.029 0.000 0.348 127 H C -1.769 173.562 175.328 0.006 0.000 1.152 127 H CA -0.406 55.666 56.048 0.040 0.000 1.202 127 H CB 3.644 33.460 29.762 0.090 0.000 1.562 127 H HN 0.210 8.603 8.280 0.188 0.000 0.515 128 D N 3.964 124.297 120.400 -0.111 0.000 2.934 128 D HA 0.554 5.234 4.640 -0.324 -0.234 0.230 128 D C -1.594 174.551 176.300 -0.259 0.000 1.204 128 D CA -0.720 53.134 54.000 -0.244 0.000 0.873 128 D CB 2.935 43.681 40.800 -0.091 0.000 1.645 128 D HN 0.126 8.754 8.370 0.429 0.000 0.502 129 E N 4.343 124.399 120.200 -0.239 0.000 2.199 129 E HA 0.465 4.779 4.350 -0.059 0.000 0.265 129 E C -1.155 175.395 176.600 -0.084 0.000 0.882 129 E CA -1.454 54.877 56.400 -0.115 0.000 0.759 129 E CB 3.457 33.117 29.700 -0.066 0.000 1.148 129 E HN -0.083 8.120 8.360 -0.262 0.000 0.412 130 I N 3.579 124.122 120.570 -0.046 0.000 2.362 130 I HA 0.203 4.323 4.170 -0.082 0.000 0.289 130 I C -0.361 175.736 176.117 -0.033 0.000 0.994 130 I CA -0.675 60.593 61.300 -0.052 0.000 1.158 130 I CB 1.503 39.479 38.000 -0.039 0.000 1.315 130 I HN 0.427 8.624 8.210 -0.021 0.000 0.451 131 I N 7.218 127.763 120.570 -0.041 0.000 2.595 131 I HA 0.490 4.653 4.170 -0.011 0.000 0.275 131 I C -2.586 173.517 176.117 -0.024 0.000 1.092 131 I CA -3.134 58.153 61.300 -0.021 0.000 1.145 131 I CB 1.264 39.261 38.000 -0.005 0.000 1.276 131 I HN 0.069 8.240 8.210 -0.065 0.000 0.497 132 P HA 0.028 4.437 4.420 -0.018 0.000 0.269 132 P C -1.464 175.834 177.300 -0.004 0.000 1.209 132 P CA -0.081 63.010 63.100 -0.015 0.000 0.776 132 P CB 0.259 31.950 31.700 -0.015 0.000 0.876 133 I N -0.125 120.455 120.570 0.016 0.000 2.969 133 I HA 0.388 4.550 4.170 -0.014 0.000 0.307 133 I C -1.604 174.528 176.117 0.026 0.000 1.149 133 I CA -1.649 59.658 61.300 0.011 0.000 1.008 133 I CB 5.052 43.062 38.000 0.017 0.000 1.232 133 I HN -0.115 8.114 8.210 0.031 0.000 0.435 134 S N 1.451 117.145 115.700 -0.009 0.000 2.756 134 S HA 0.556 5.199 4.470 0.030 -0.154 0.303 134 S C -0.656 173.915 174.600 -0.048 0.000 1.135 134 S CA -0.963 57.233 58.200 -0.006 0.000 1.066 134 S CB 1.558 64.752 63.200 -0.009 0.000 1.008 134 S HN 0.073 8.364 8.310 -0.032 0.000 0.482 135 I N 5.886 126.409 120.570 -0.078 0.000 2.378 135 I HA 0.707 5.024 4.170 -0.119 -0.218 0.291 135 I C -1.163 174.898 176.117 -0.094 0.000 0.992 135 I CA -0.905 60.304 61.300 -0.150 0.000 1.154 135 I CB 2.098 39.870 38.000 -0.380 0.000 1.315 135 I HN 0.421 8.615 8.210 -0.028 0.000 0.448 136 K N 6.116 126.474 120.400 -0.069 0.000 2.523 136 K HA 0.345 4.640 4.320 -0.041 0.000 0.257 136 K C -0.315 176.266 176.600 -0.031 0.000 0.932 136 K CA -0.347 55.915 56.287 -0.041 0.000 0.812 136 K CB 3.228 35.716 32.500 -0.021 0.000 1.326 136 K HN 0.024 8.235 8.250 -0.064 0.000 0.433 137 K N -0.957 119.428 120.400 -0.025 0.000 3.349 137 K HA -0.344 3.971 4.320 -0.009 0.000 0.310 137 K C -0.120 176.477 176.600 -0.005 0.000 1.267 137 K CA 1.033 57.314 56.287 -0.011 0.000 0.920 137 K CB -1.671 30.827 32.500 -0.002 0.000 1.240 137 K HN 0.834 9.165 8.250 -0.025 -0.095 0.453 138 G N -7.934 100.850 108.800 -0.027 0.000 2.141 138 G HA2 -0.400 3.523 3.960 -0.061 0.000 0.231 138 G HA3 -0.400 3.588 3.960 0.047 0.000 0.231 138 G C -1.101 173.838 174.900 0.066 0.000 0.984 138 G CA 0.017 45.121 45.100 0.005 0.000 0.660 138 G HN 0.035 8.222 8.290 -0.059 0.067 0.525 139 K N -0.899 119.513 120.400 0.020 0.000 2.238 139 K HA 0.361 4.829 4.320 0.104 -0.085 0.239 139 K C -2.265 174.344 176.600 0.015 0.000 0.987 139 K CA -1.662 54.654 56.287 0.047 0.000 0.857 139 K CB 3.239 35.755 32.500 0.025 0.000 1.154 139 K HN -0.267 7.805 8.250 -0.016 0.169 0.439 140 L N -0.555 120.692 121.223 0.039 0.000 2.346 140 L HA 0.320 4.632 4.340 -0.047 0.000 0.276 140 L C -2.336 174.509 176.870 -0.041 0.000 1.006 140 L CA -1.190 53.649 54.840 -0.001 0.000 0.817 140 L CB 3.668 45.767 42.059 0.066 0.000 1.272 140 L HN 0.077 8.248 8.230 0.063 0.096 0.421 141 S N 4.604 120.262 115.700 -0.070 0.000 2.733 141 S HA 0.506 5.056 4.470 -0.108 -0.145 0.307 141 S C -1.865 172.667 174.600 -0.113 0.000 1.127 141 S CA -1.221 56.925 58.200 -0.089 0.000 1.097 141 S CB 1.105 64.272 63.200 -0.055 0.000 1.003 141 S HN 0.012 8.281 8.310 -0.068 0.000 0.477 142 V N 9.248 129.047 119.914 -0.191 0.000 2.328 142 V HA 0.370 4.425 4.120 -0.109 0.000 0.278 142 V C -0.428 175.593 176.094 -0.121 0.000 1.021 142 V CA -2.021 60.174 62.300 -0.175 0.000 0.838 142 V CB 1.989 33.636 31.823 -0.295 0.000 0.999 142 V HN 0.217 8.250 8.190 -0.260 0.000 0.447 143 Q N 8.077 127.838 119.800 -0.066 0.000 2.026 143 Q HA -0.321 4.003 4.340 -0.028 0.000 0.307 143 Q C -0.017 175.960 176.000 -0.039 0.000 2.333 143 Q CA 2.541 58.320 55.803 -0.039 0.000 0.744 143 Q CB -1.823 26.900 28.738 -0.026 0.000 1.401 143 Q HN 0.823 9.060 8.270 -0.055 0.000 0.684 144 G N -1.042 107.733 108.800 -0.042 0.000 4.299 144 G HA2 0.229 4.172 3.960 -0.030 0.000 0.290 144 G HA3 0.229 4.178 3.960 -0.019 0.000 0.290 144 G C -1.749 173.129 174.900 -0.037 0.000 1.019 144 G CA -0.270 44.811 45.100 -0.031 0.000 0.790 144 G HN 0.016 8.270 8.290 -0.046 0.008 0.452 145 E N 0.902 121.059 120.200 -0.071 0.000 2.248 145 E HA 0.406 4.737 4.350 -0.032 0.000 0.267 145 E C -2.045 174.489 176.600 -0.111 0.000 0.877 145 E CA -1.137 55.219 56.400 -0.072 0.000 0.759 145 E CB 3.417 33.079 29.700 -0.063 0.000 1.182 145 E HN -0.041 8.146 8.360 -0.100 0.113 0.418 146 V N 5.082 124.966 119.914 -0.049 0.000 2.483 146 V HA 0.455 4.656 4.120 -0.067 -0.122 0.295 146 V C -1.101 175.000 176.094 0.011 0.000 1.035 146 V CA -1.751 60.527 62.300 -0.036 0.000 0.896 146 V CB 1.419 33.234 31.823 -0.013 0.000 0.986 146 V HN 0.270 8.449 8.190 -0.018 0.000 0.447 147 S N 7.721 123.436 115.700 0.025 0.000 2.584 147 S HA 0.143 4.660 4.470 0.079 0.000 0.280 147 S C -1.849 172.801 174.600 0.084 0.000 1.162 147 S CA -0.295 57.964 58.200 0.098 0.000 0.951 147 S CB 1.740 65.109 63.200 0.281 0.000 1.108 147 S HN 0.852 9.158 8.310 -0.006 0.000 0.464 148 T N 6.346 120.938 114.554 0.064 0.000 2.932 148 T HA -0.080 4.316 4.350 0.076 0.000 0.312 148 T C -0.929 173.825 174.700 0.090 0.000 1.071 148 T CA 1.232 63.373 62.100 0.069 0.000 1.128 148 T CB 0.574 69.468 68.868 0.042 0.000 0.984 148 T HN 0.147 8.417 8.240 0.051 0.000 0.549 149 F N 8.263 128.194 119.950 -0.032 0.000 2.429 149 F HA -0.002 4.502 4.527 -0.038 0.000 0.348 149 F C -0.675 175.101 175.800 -0.041 0.000 1.109 149 F CA 0.468 58.439 58.000 -0.048 0.000 1.232 149 F CB 1.000 39.948 39.000 -0.087 0.000 1.157 149 F HN -0.444 7.997 8.300 0.234 0.000 0.564 150 T N 4.455 118.381 114.554 -1.047 0.000 3.038 150 T HA 0.309 4.319 4.350 -0.565 0.000 0.344 150 T C 0.177 174.315 174.700 -0.937 0.000 1.054 150 T CA -1.415 60.220 62.100 -0.776 0.000 1.092 150 T CB 0.749 69.402 68.868 -0.357 0.000 1.031 150 T HN 0.348 7.910 8.240 -1.130 0.000 0.482 151 G N 6.133 114.383 108.800 -0.917 0.000 3.548 151 G HA2 -0.531 3.347 3.960 -0.136 0.000 0.224 151 G HA3 -0.531 3.258 3.960 -0.285 0.000 0.224 151 G C -1.387 173.362 174.900 -0.252 0.000 1.351 151 G CA 1.492 46.349 45.100 -0.405 0.000 0.905 151 G HN 0.524 8.323 8.290 -0.818 0.000 0.561 152 K N 0.234 120.399 120.400 -0.392 0.000 2.548 152 K HA 0.328 4.903 4.320 0.311 -0.069 0.282 152 K C -2.099 174.499 176.600 -0.003 0.000 1.006 152 K CA -2.112 54.170 56.287 -0.008 0.000 0.892 152 K CB 2.961 35.429 32.500 -0.053 0.000 1.499 152 K HN -0.217 7.627 8.250 -0.562 0.069 0.433 153 L N 0.332 121.591 121.223 0.061 0.000 2.326 153 L HA 0.135 4.769 4.340 0.059 -0.259 0.278 153 L C -0.820 176.009 176.870 -0.069 0.000 1.092 153 L CA -0.187 54.661 54.840 0.014 0.000 0.810 153 L CB 1.969 44.024 42.059 -0.008 0.000 1.153 153 L HN 0.475 8.601 8.230 0.031 0.123 0.439 154 S N 3.496 119.176 115.700 -0.034 0.000 2.707 154 S HA 0.462 5.125 4.470 -0.037 -0.215 0.312 154 S C -1.152 173.459 174.600 0.019 0.000 1.116 154 S CA -1.891 56.295 58.200 -0.024 0.000 1.078 154 S CB 0.738 63.916 63.200 -0.037 0.000 0.997 154 S HN 0.259 8.649 8.310 -0.005 -0.082 0.477 155 V N 8.584 128.530 119.914 0.053 0.000 2.304 155 V HA 0.540 5.014 4.120 0.081 -0.305 0.262 155 V C -0.570 175.594 176.094 0.117 0.000 1.061 155 V CA -1.343 61.010 62.300 0.087 0.000 0.872 155 V CB -0.227 31.627 31.823 0.051 0.000 1.077 155 V HN -0.188 8.040 8.190 0.063 0.000 0.480 156 E N 7.804 128.047 120.200 0.072 0.000 2.158 156 E HA 0.761 5.250 4.350 -0.086 -0.191 0.271 156 E C -0.828 175.814 176.600 0.071 0.000 0.911 156 E CA -1.836 54.564 56.400 0.001 0.000 0.767 156 E CB 2.661 32.359 29.700 -0.003 0.000 1.120 156 E HN -0.300 8.106 8.360 0.076 0.000 0.405 157 F N 2.784 122.813 119.950 0.131 0.000 2.467 157 F HA 0.773 5.478 4.527 0.062 -0.141 0.336 157 F C -1.553 174.258 175.800 0.019 0.000 1.123 157 F CA -2.904 55.127 58.000 0.052 0.000 0.964 157 F CB 1.674 40.669 39.000 -0.008 0.000 1.136 157 F HN 0.195 8.145 8.300 -0.582 0.000 0.447 158 V N 2.879 122.948 119.914 0.259 0.000 2.539 158 V HA 0.108 4.328 4.120 0.166 0.000 0.292 158 V C -0.206 176.038 176.094 0.251 0.000 1.045 158 V CA -1.877 60.538 62.300 0.190 0.000 0.945 158 V CB 1.589 33.482 31.823 0.115 0.000 0.993 158 V HN -0.093 8.246 8.190 0.249 0.000 0.464 159 K N 5.699 126.225 120.400 0.211 0.000 2.518 159 K HA -0.310 4.376 4.320 0.447 -0.097 0.276 159 K C -0.269 176.451 176.600 0.200 0.000 0.974 159 K CA 1.656 58.109 56.287 0.277 0.000 0.986 159 K CB 0.453 33.029 32.500 0.126 0.000 0.901 159 K HN 0.388 8.732 8.250 0.157 0.000 0.497 160 G N 3.537 112.438 108.800 0.169 0.000 2.849 160 G HA2 0.052 3.875 3.960 -0.228 0.000 0.202 160 G HA3 0.052 4.054 3.960 -0.383 -0.272 0.202 160 G C -1.534 173.073 174.900 -0.489 0.000 1.138 160 G CA 0.561 45.514 45.100 -0.244 0.000 0.692 160 G HN 0.757 9.338 8.290 0.486 0.000 0.786 161 Y N 0.075 120.241 120.300 -0.223 0.000 2.569 161 Y HA 0.122 4.675 4.550 0.005 0.000 0.310 161 Y C -1.418 174.615 175.900 0.222 0.000 1.021 161 Y CA -1.025 57.053 58.100 -0.036 0.000 1.152 161 Y CB 0.690 39.083 38.460 -0.112 0.000 1.140 161 Y HN -0.513 7.641 8.280 -0.211 0.000 0.621 162 Y N -3.179 117.242 120.300 0.201 0.000 2.511 162 Y HA -0.321 4.366 4.550 0.228 0.000 0.022 162 Y C -0.651 175.463 175.900 0.356 0.000 1.706 162 Y CA 0.983 59.225 58.100 0.237 0.000 1.416 162 Y CB -0.027 38.523 38.460 0.151 0.000 2.062 162 Y HN -0.200 8.044 8.280 -0.059 0.000 0.255 163 D N -0.994 119.699 120.400 0.488 0.000 3.357 163 D HA -0.349 4.548 4.640 0.428 0.000 0.238 163 D C -0.908 175.586 176.300 0.324 0.000 1.126 163 D CA 1.087 55.335 54.000 0.413 0.000 0.984 163 D CB -0.517 40.491 40.800 0.346 0.000 0.925 163 D HN 0.300 8.965 8.370 0.490 0.000 0.414 164 N N 1.481 120.290 118.700 0.181 0.000 2.305 164 N HA -0.133 4.206 4.740 -0.668 0.000 0.232 164 N C -1.467 173.628 175.510 -0.692 0.000 1.274 164 N CA 0.411 53.212 53.050 -0.415 0.000 0.870 164 N CB 0.185 38.378 38.487 -0.490 0.000 1.105 164 N HN 0.013 8.627 8.380 0.389 0.000 0.436 165 P HA -0.203 3.711 4.420 -0.844 0.000 0.241 165 P C -1.243 175.839 177.300 -0.364 0.000 1.093 165 P CA 1.272 63.788 63.100 -0.973 0.000 0.843 165 P CB -0.168 30.643 31.700 -1.481 0.000 0.760 166 K N 4.182 124.519 120.400 -0.104 0.000 1.971 166 K HA -0.296 4.128 4.320 0.172 0.000 0.221 166 K C 0.155 176.839 176.600 0.140 0.000 1.050 166 K CA 2.326 58.672 56.287 0.098 0.000 0.967 166 K CB 0.500 33.082 32.500 0.137 0.000 0.733 166 K HN 0.194 8.374 8.250 -0.115 0.000 0.445 167 V N -3.064 116.934 119.914 0.140 0.000 2.465 167 V HA -0.031 4.172 4.120 0.138 0.000 0.279 167 V C -0.798 175.391 176.094 0.158 0.000 1.045 167 V CA 0.027 62.413 62.300 0.143 0.000 0.938 167 V CB 0.963 32.857 31.823 0.119 0.000 0.986 167 V HN -0.535 7.733 8.190 0.130 0.000 0.467 168 C N 7.922 127.261 119.300 0.065 0.000 2.441 168 C HA 0.291 4.563 4.460 -0.315 0.000 0.318 168 C C -2.039 172.827 174.990 -0.207 0.000 1.222 168 C CA -1.628 57.328 59.018 -0.104 0.000 1.474 168 C CB 2.650 30.448 27.740 0.098 0.000 2.125 168 C HN -0.096 8.179 8.230 0.076 0.000 0.479 169 A N 7.569 130.173 122.820 -0.359 0.000 2.749 169 A HA 0.291 4.657 4.320 -0.226 -0.182 0.299 169 A C -0.601 176.844 177.584 -0.232 0.000 1.105 169 A CA -1.599 50.277 52.037 -0.268 0.000 0.987 169 A CB 0.870 19.724 19.000 -0.244 0.000 1.180 169 A HN 0.297 8.096 8.150 -0.584 0.000 0.528 170 L N 0.604 121.671 121.223 -0.261 0.000 2.769 170 L HA -0.230 4.010 4.340 -0.166 0.000 0.293 170 L C -1.728 175.204 176.870 0.103 0.000 1.224 170 L CA 1.323 56.093 54.840 -0.117 0.000 0.906 170 L CB -0.446 41.565 42.059 -0.081 0.000 1.193 170 L HN -0.276 7.765 8.230 -0.316 0.000 0.488 171 F N 8.240 128.183 119.950 -0.011 0.000 2.941 171 F HA 0.248 4.820 4.527 0.076 0.000 0.359 171 F C -3.388 172.484 175.800 0.119 0.000 1.231 171 F CA -1.600 56.433 58.000 0.054 0.000 1.089 171 F CB 2.332 41.338 39.000 0.010 0.000 1.407 171 F HN -0.128 8.244 8.300 0.120 0.000 0.538 172 I N 8.445 129.241 120.570 0.376 0.000 2.378 172 I HA 0.446 4.526 4.170 -0.151 0.000 0.291 172 I C -2.484 173.713 176.117 0.133 0.000 0.992 172 I CA -1.846 59.531 61.300 0.129 0.000 1.154 172 I CB 3.064 41.218 38.000 0.257 0.000 1.315 172 I HN 0.476 9.056 8.210 0.616 0.000 0.448 173 M N 6.300 125.828 119.600 -0.121 0.000 2.777 173 M HA 0.533 5.060 4.480 0.078 0.000 0.307 173 M C -2.195 173.976 176.300 -0.216 0.000 1.228 173 M CA -1.554 53.709 55.300 -0.063 0.000 0.871 173 M CB 3.218 35.771 32.600 -0.078 0.000 1.721 173 M HN 0.037 8.161 8.290 -0.277 0.000 0.487 174 K N -0.968 119.259 120.400 -0.287 0.000 2.318 174 K HA 0.181 3.962 4.320 -0.899 0.000 0.249 174 K C 0.082 176.457 176.600 -0.375 0.000 0.942 174 K CA -0.803 55.112 56.287 -0.620 0.000 0.808 174 K CB 2.179 34.206 32.500 -0.789 0.000 1.189 174 K HN -0.337 7.818 8.250 -0.158 0.000 0.428 175 G N 0.680 109.248 108.800 -0.387 0.000 2.345 175 G HA2 -0.323 3.558 3.960 -0.133 0.000 0.218 175 G HA3 -0.323 3.553 3.960 -0.141 0.000 0.218 175 G C -1.909 172.935 174.900 -0.093 0.000 1.058 175 G CA 0.348 45.344 45.100 -0.173 0.000 0.632 175 G HN 0.075 7.945 8.290 -0.578 0.073 0.508 176 T N -4.278 110.219 114.554 -0.096 0.000 2.886 176 T HA 0.128 4.452 4.350 -0.044 0.000 0.341 176 T C -1.868 172.793 174.700 -0.065 0.000 1.839 176 T CA -1.102 60.963 62.100 -0.059 0.000 1.052 176 T CB 1.695 70.540 68.868 -0.039 0.000 1.715 176 T HN -0.885 7.222 8.240 -0.128 0.056 0.504 177 A N 0.205 122.994 122.820 -0.051 0.000 2.081 177 A HA 0.031 4.305 4.320 -0.078 0.000 0.214 177 A C 1.282 178.844 177.584 -0.037 0.000 1.158 177 A CA 1.605 53.609 52.037 -0.055 0.000 0.724 177 A CB -0.071 18.901 19.000 -0.046 0.000 0.826 177 A HN 0.399 8.526 8.150 -0.039 0.000 0.463 178 D N -2.505 117.879 120.400 -0.027 0.000 2.182 178 D HA -0.253 4.379 4.640 -0.013 0.000 0.201 178 D C 0.862 177.153 176.300 -0.015 0.000 0.986 178 D CA 2.923 56.913 54.000 -0.017 0.000 0.847 178 D CB -0.289 40.504 40.800 -0.012 0.000 0.942 178 D HN 0.013 8.335 8.370 -0.028 0.032 0.467 179 D N -2.950 117.439 120.400 -0.019 0.000 2.123 179 D HA -0.228 4.408 4.640 -0.007 0.000 0.196 179 D C -0.040 176.252 176.300 -0.014 0.000 0.992 179 D CA 1.575 55.567 54.000 -0.013 0.000 0.833 179 D CB 0.232 41.024 40.800 -0.013 0.000 0.954 179 D HN -0.210 8.125 8.370 -0.027 0.019 0.455 180 V N 1.584 121.486 119.914 -0.020 0.000 2.725 180 V HA -0.276 3.827 4.120 -0.027 0.000 0.283 180 V C -1.801 174.269 176.094 -0.040 0.000 0.977 180 V CA -0.119 62.164 62.300 -0.028 0.000 1.184 180 V CB -0.578 31.233 31.823 -0.019 0.000 0.863 180 V HN -0.657 7.518 8.190 -0.026 0.000 0.459 181 P HA -0.095 4.324 4.420 -0.003 0.000 0.264 181 P C -1.464 175.833 177.300 -0.004 0.000 1.183 181 P CA 0.662 63.741 63.100 -0.034 0.000 0.763 181 P CB 0.699 32.374 31.700 -0.042 0.000 0.807 182 M N 3.945 123.561 119.600 0.028 0.000 2.197 182 M HA 0.162 4.676 4.480 0.056 0.000 0.226 182 M C -1.402 174.928 176.300 0.049 0.000 0.970 182 M CA 0.299 55.624 55.300 0.042 0.000 1.036 182 M CB 0.819 33.437 32.600 0.031 0.000 2.437 182 M HN -0.023 8.285 8.290 0.029 0.000 0.432 183 L N 6.267 127.529 121.223 0.064 0.000 2.295 183 L HA 0.097 4.472 4.340 0.060 0.000 0.288 183 L C -0.134 176.774 176.870 0.063 0.000 1.079 183 L CA -0.706 54.173 54.840 0.065 0.000 0.830 183 L CB -0.314 41.789 42.059 0.073 0.000 1.200 183 L HN 0.151 8.427 8.230 0.077 0.000 0.438 184 Q N 4.018 123.850 119.800 0.054 0.000 2.361 184 Q HA 0.070 4.435 4.340 0.040 0.000 0.276 184 Q C -1.446 174.589 176.000 0.057 0.000 1.022 184 Q CA -1.883 53.946 55.803 0.043 0.000 0.898 184 Q CB -0.550 28.201 28.738 0.023 0.000 1.246 184 Q HN 0.103 8.403 8.270 0.049 0.000 0.410 185 P HA -0.103 4.363 4.420 0.077 0.000 0.263 185 P C -1.780 175.571 177.300 0.084 0.000 1.168 185 P CA 0.703 63.842 63.100 0.064 0.000 0.759 185 P CB 0.270 31.994 31.700 0.039 0.000 0.782 186 H N 3.756 122.834 119.070 0.013 0.000 2.689 186 H HA 0.264 4.826 4.556 0.010 0.000 0.346 186 H C -1.467 173.867 175.328 0.009 0.000 1.037 186 H CA -3.159 52.896 56.048 0.011 0.000 1.234 186 H CB 1.565 31.334 29.762 0.011 0.000 1.572 186 H HN 0.035 8.416 8.280 0.169 0.000 0.524 187 P HA 0.198 4.701 4.420 0.138 0.000 0.333 187 P C -1.072 176.377 177.300 0.248 0.000 1.315 187 P CA -0.377 62.854 63.100 0.218 0.000 0.746 187 P CB 1.446 33.209 31.700 0.104 0.000 1.575 188 G N -1.460 107.414 108.800 0.123 0.000 2.641 188 G HA2 -0.256 3.737 3.960 0.054 0.000 0.254 188 G HA3 -0.256 3.769 3.960 0.109 0.000 0.254 188 G C -1.274 173.636 174.900 0.017 0.000 1.315 188 G CA -0.276 44.870 45.100 0.077 0.000 0.907 188 G HN -0.132 8.212 8.290 0.091 0.000 0.572 189 L N 1.581 122.796 121.223 -0.013 0.000 2.305 189 L HA 0.301 4.616 4.340 -0.042 0.000 0.284 189 L C 0.034 176.850 176.870 -0.090 0.000 1.013 189 L CA -0.587 54.228 54.840 -0.043 0.000 0.819 189 L CB 0.297 42.342 42.059 -0.023 0.000 1.227 189 L HN 0.159 8.391 8.230 0.002 0.000 0.417 190 E N 0.000 120.126 120.200 -0.123 0.000 2.725 190 E HA 0.000 4.230 4.350 -0.201 0.000 0.291 190 E CA 0.000 56.309 56.400 -0.151 0.000 0.976 190 E CB 0.000 29.601 29.700 -0.164 0.000 0.812 190 E HN 0.000 8.299 8.360 -0.102 0.000 0.440