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 3hgn_1_A DATA FIRST_RESID 16 DATA SEQUENCE VVGGTEAQRN SWPSQISLQY SSWAHTcGGT LIRQNWVMTA AHcVDRELTR DATA SEQUENCE VVVGEHNLNQ NDGTEQYVGV QKIVVHPYWN TDDAGYDIAL LRLAQSVTLN DATA SEQUENCE SYVQLGVLPR AGTILANNSP cYITGWGLTR XTNGQLAQTL QQAYLPTVDY DATA SEQUENCE AIcSSYWGST VKNSMVcAGG DGRSGcQGDS GGPLHcLVNG QYAVHGVTSF DATA SEQUENCE VRLGcVTRKP TVFTRVSAYI SWINNVIASN 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 16 V HA 0.000 4.146 4.120 0.044 0.000 0.244 16 V C 0.000 176.118 176.094 0.040 0.000 1.182 16 V CA 0.000 62.322 62.300 0.036 0.000 1.235 16 V CB 0.000 31.830 31.823 0.012 0.000 1.184 17 V N 6.687 126.628 119.914 0.045 0.000 2.498 17 V HA 0.050 4.397 4.120 0.042 -0.201 0.279 17 V C 0.918 177.039 176.094 0.046 0.000 1.048 17 V CA -0.453 61.873 62.300 0.043 0.000 0.967 17 V CB 0.733 32.580 31.823 0.041 0.000 0.988 17 V HN 0.374 8.592 8.190 0.047 0.000 0.473 18 G N 6.634 115.461 108.800 0.045 0.000 2.176 18 G HA2 -0.407 3.583 3.960 0.049 0.000 0.252 18 G HA3 -0.407 3.712 3.960 0.053 -0.127 0.252 18 G C -0.787 174.151 174.900 0.064 0.000 1.024 18 G CA 0.146 45.277 45.100 0.052 0.000 0.755 18 G HN 0.697 9.012 8.290 0.042 0.000 0.507 19 G N -1.368 107.467 108.800 0.057 0.000 2.543 19 G HA2 0.380 4.517 3.960 0.088 0.000 0.290 19 G HA3 0.380 4.365 3.960 0.051 0.005 0.290 19 G C -1.380 173.561 174.900 0.068 0.000 1.310 19 G CA -1.129 44.011 45.100 0.067 0.000 1.025 19 G HN -0.596 7.723 8.290 0.048 0.000 0.502 20 T N -4.420 110.181 114.554 0.077 0.000 2.906 20 T HA 0.275 4.660 4.350 0.058 0.000 0.295 20 T C -1.745 172.990 174.700 0.058 0.000 1.075 20 T CA -2.090 60.052 62.100 0.070 0.000 1.005 20 T CB 2.697 71.616 68.868 0.086 0.000 1.136 20 T HN 0.301 8.596 8.240 0.091 0.000 0.498 21 E N 3.525 123.758 120.200 0.055 0.000 2.366 21 E HA -0.199 4.313 4.350 0.031 -0.144 0.266 21 E C -0.494 176.164 176.600 0.096 0.000 1.015 21 E CA 0.255 56.692 56.400 0.062 0.000 0.906 21 E CB 0.637 30.386 29.700 0.082 0.000 0.979 21 E HN 0.261 8.654 8.360 0.055 0.000 0.443 22 A N 8.032 130.927 122.820 0.126 0.000 2.371 22 A HA -0.045 4.508 4.320 0.148 -0.145 0.257 22 A C -0.142 177.545 177.584 0.170 0.000 1.089 22 A CA -0.012 52.128 52.037 0.172 0.000 0.794 22 A CB 1.339 20.502 19.000 0.271 0.000 1.029 22 A HN 0.236 8.435 8.150 0.083 0.000 0.488 23 Q N 0.021 119.830 119.800 0.015 0.000 2.454 23 Q HA -0.124 4.182 4.340 -0.058 0.000 0.247 23 Q C 1.806 177.750 176.000 -0.094 0.000 1.028 23 Q CA -0.296 55.466 55.803 -0.068 0.000 0.910 23 Q CB 0.584 29.240 28.738 -0.135 0.000 1.276 23 Q HN 0.340 8.584 8.270 -0.043 0.000 0.489 24 R N 0.070 120.447 120.500 -0.206 0.000 2.152 24 R HA -0.358 3.829 4.340 -0.254 0.000 0.232 24 R C 0.027 176.352 176.300 0.041 0.000 1.117 24 R CA 3.487 59.490 56.100 -0.162 0.000 0.981 24 R CB 0.104 30.346 30.300 -0.096 0.000 0.870 24 R HN 0.609 8.740 8.270 -0.231 0.000 0.451 25 N N -7.450 111.208 118.700 -0.069 0.000 2.234 25 N HA 0.079 4.767 4.740 -0.086 0.000 0.227 25 N C -0.140 175.209 175.510 -0.268 0.000 1.151 25 N CA -0.751 52.213 53.050 -0.144 0.000 0.865 25 N CB -0.706 37.636 38.487 -0.242 0.000 1.066 25 N HN -0.299 7.994 8.380 -0.115 0.018 0.515 26 S N -0.399 115.065 115.700 -0.393 0.000 2.414 26 S HA -0.003 4.017 4.470 -0.750 0.000 0.227 26 S C 0.013 173.984 174.600 -1.049 0.000 1.022 26 S CA 2.820 60.508 58.200 -0.854 0.000 0.958 26 S CB 0.315 62.750 63.200 -1.275 0.000 0.797 26 S HN -0.552 7.571 8.310 -0.311 0.000 0.493 27 W N -2.460 118.726 121.300 -0.189 0.000 1.683 27 W HA 0.463 4.958 4.660 -0.275 0.000 0.295 27 W C -1.894 174.602 176.519 -0.037 0.000 0.865 27 W CA -2.872 54.345 57.345 -0.213 0.000 2.079 27 W CB -0.471 28.816 29.460 -0.289 0.000 2.263 27 W HN -0.273 7.808 8.180 -0.165 0.000 0.427 28 P HA -0.002 4.592 4.420 0.147 -0.086 0.237 28 P C -0.219 177.179 177.300 0.163 0.000 1.178 28 P CA 1.122 64.298 63.100 0.126 0.000 0.766 28 P CB 0.028 31.751 31.700 0.038 0.000 0.876 29 S N -4.192 111.630 115.700 0.203 0.000 2.558 29 S HA 0.093 4.806 4.470 0.162 -0.147 0.217 29 S C 0.264 174.993 174.600 0.216 0.000 0.975 29 S CA 0.146 58.465 58.200 0.198 0.000 0.912 29 S CB -0.553 62.772 63.200 0.207 0.000 0.776 29 S HN -0.151 8.257 8.310 0.229 0.039 0.526 30 Q N 3.571 123.524 119.800 0.255 0.000 2.311 30 Q HA 0.104 4.728 4.340 0.220 -0.152 0.272 30 Q C -0.273 175.896 176.000 0.281 0.000 1.012 30 Q CA 0.566 56.517 55.803 0.246 0.000 0.891 30 Q CB 0.924 29.784 28.738 0.204 0.000 1.201 30 Q HN -0.803 7.593 8.270 0.278 0.041 0.391 31 I N -0.007 120.735 120.570 0.287 0.000 2.957 31 I HA 0.610 5.031 4.170 0.278 -0.085 0.310 31 I C -1.956 174.387 176.117 0.376 0.000 1.063 31 I CA -2.718 58.745 61.300 0.273 0.000 1.033 31 I CB 3.661 41.749 38.000 0.146 0.000 1.230 31 I HN -0.157 8.206 8.210 0.255 0.000 0.447 32 S N 1.190 117.012 115.700 0.204 0.000 2.437 32 S HA 0.323 5.004 4.470 0.352 0.000 0.305 32 S C -1.481 173.144 174.600 0.042 0.000 1.109 32 S CA -1.426 56.851 58.200 0.128 0.000 1.099 32 S CB 1.196 64.253 63.200 -0.238 0.000 1.004 32 S HN -0.134 8.238 8.310 0.104 0.000 0.475 33 L N 8.545 129.773 121.223 0.008 0.000 2.272 33 L HA 0.683 5.169 4.340 -0.002 -0.148 0.289 33 L C -2.269 174.567 176.870 -0.057 0.000 1.032 33 L CA -0.858 53.968 54.840 -0.023 0.000 0.810 33 L CB 2.767 44.816 42.059 -0.017 0.000 1.205 33 L HN 0.472 8.703 8.230 0.002 0.000 0.422 34 Q N 5.014 124.837 119.800 0.040 0.000 2.387 34 Q HA 0.874 5.428 4.340 0.077 -0.168 0.273 34 Q C -0.876 175.334 176.000 0.350 0.000 1.089 34 Q CA -2.153 53.727 55.803 0.129 0.000 0.824 34 Q CB 4.310 33.116 28.738 0.114 0.000 1.367 34 Q HN 0.351 8.648 8.270 0.044 0.000 0.443 35 Y N -1.763 118.694 120.300 0.262 0.000 2.805 35 Y HA 0.905 5.848 4.550 0.310 -0.208 0.321 35 Y C 1.186 177.131 175.900 0.076 0.000 1.203 35 Y CA -3.668 54.568 58.100 0.226 0.000 1.165 35 Y CB 2.000 40.503 38.460 0.071 0.000 1.371 35 Y HN 0.315 8.625 8.280 0.050 0.000 0.564 36 S N -0.682 114.918 115.700 -0.166 0.000 2.497 36 S HA -0.310 4.062 4.470 -0.162 0.000 0.260 36 S C 0.728 175.209 174.600 -0.198 0.000 0.988 36 S CA 1.591 59.696 58.200 -0.158 0.000 0.967 36 S CB -0.686 62.462 63.200 -0.087 0.000 0.741 36 S HN 0.052 8.283 8.310 -0.132 0.000 0.521 37 S N -0.252 115.300 115.700 -0.246 0.000 2.726 37 S HA 0.165 4.576 4.470 -0.098 0.000 0.308 37 S C -2.022 172.345 174.600 -0.388 0.000 1.115 37 S CA -0.867 57.218 58.200 -0.192 0.000 0.965 37 S CB 1.470 64.622 63.200 -0.079 0.000 1.145 37 S HN -0.591 7.564 8.310 -0.258 0.000 0.532 38 W N -0.466 120.745 121.300 -0.148 0.000 2.666 38 W HA 0.136 4.835 4.660 -0.245 -0.186 0.334 38 W C -0.922 175.444 176.519 -0.256 0.000 1.051 38 W CA -1.284 55.942 57.345 -0.199 0.000 1.224 38 W CB 1.996 31.379 29.460 -0.128 0.000 1.405 38 W HN -0.031 8.263 8.180 0.190 0.000 0.513 39 A N 1.712 124.403 122.820 -0.214 0.000 2.355 39 A HA 0.453 4.704 4.320 -0.115 0.000 0.317 39 A C -2.058 175.440 177.584 -0.143 0.000 1.094 39 A CA -2.010 49.863 52.037 -0.274 0.000 0.764 39 A CB 3.583 22.249 19.000 -0.556 0.000 1.230 39 A HN 0.524 8.461 8.150 -0.356 0.000 0.448 40 H N 3.717 122.737 119.070 -0.084 0.000 2.848 40 H HA -0.106 4.562 4.556 -0.015 -0.122 0.341 40 H C -0.423 174.974 175.328 0.115 0.000 1.060 40 H CA 1.791 57.828 56.048 -0.019 0.000 1.444 40 H CB 0.123 29.829 29.762 -0.092 0.000 1.446 40 H HN 0.581 8.926 8.280 0.109 0.000 0.583 41 T N 4.629 118.947 114.554 -0.393 0.000 3.010 41 T HA 0.159 4.546 4.350 0.061 0.000 0.252 41 T C -1.129 173.417 174.700 -0.257 0.000 0.963 41 T CA 0.655 62.690 62.100 -0.108 0.000 0.952 41 T CB 1.450 70.430 68.868 0.185 0.000 1.182 41 T HN 0.512 8.444 8.240 -0.514 0.000 0.495 42 c N -1.304 117.021 118.600 -0.458 0.000 3.288 42 c HA 0.482 5.107 4.570 0.003 -0.054 0.318 42 c C -1.372 172.716 174.090 -0.003 0.000 1.356 42 c CA -0.616 55.633 56.329 -0.133 0.000 1.359 42 c CB 4.144 46.605 42.510 -0.082 0.000 1.688 42 c HN -0.641 7.234 8.230 -0.592 0.000 0.467 43 G N -0.980 107.934 108.800 0.191 0.000 2.537 43 G HA2 0.647 4.962 3.960 0.381 0.000 0.297 43 G HA3 0.647 4.783 3.960 0.294 0.000 0.297 43 G C -2.023 172.957 174.900 0.134 0.000 1.310 43 G CA -1.332 43.926 45.100 0.264 0.000 1.027 43 G HN 0.117 8.523 8.290 0.194 0.000 0.505 44 G N -3.586 105.302 108.800 0.148 0.000 2.495 44 G HA2 0.399 4.697 3.960 0.070 0.000 0.294 44 G HA3 0.399 4.412 3.960 0.089 0.000 0.294 44 G C -2.497 172.471 174.900 0.114 0.000 1.397 44 G CA 0.332 45.492 45.100 0.099 0.000 0.790 44 G HN -0.679 7.730 8.290 0.198 0.000 0.486 45 T N 2.093 116.705 114.554 0.097 0.000 2.841 45 T HA 0.476 5.063 4.350 0.124 -0.163 0.285 45 T C -1.578 173.190 174.700 0.114 0.000 0.991 45 T CA -0.421 61.742 62.100 0.105 0.000 0.966 45 T CB 2.882 71.796 68.868 0.077 0.000 0.962 45 T HN 0.189 8.482 8.240 0.088 0.000 0.438 46 L N 7.862 129.159 121.223 0.123 0.000 2.433 46 L HA -0.033 4.380 4.340 0.121 0.000 0.275 46 L C -1.052 175.888 176.870 0.118 0.000 1.128 46 L CA 0.500 55.411 54.840 0.119 0.000 0.875 46 L CB 0.619 42.744 42.059 0.109 0.000 1.171 46 L HN 0.341 8.650 8.230 0.133 0.000 0.463 47 I N 0.750 121.397 120.570 0.129 0.000 4.139 47 I HA 0.417 4.642 4.170 0.092 0.000 0.320 47 I C -0.701 175.481 176.117 0.108 0.000 1.290 47 I CA -0.107 61.256 61.300 0.105 0.000 1.253 47 I CB 2.223 40.269 38.000 0.077 0.000 1.122 47 I HN 0.139 8.441 8.210 0.154 0.000 0.421 48 R N -1.381 119.218 120.500 0.165 0.000 2.855 48 R HA 0.259 4.671 4.340 0.121 0.000 0.266 48 R C 0.733 177.124 176.300 0.151 0.000 1.034 48 R CA -2.835 53.367 56.100 0.170 0.000 0.944 48 R CB 2.118 32.587 30.300 0.280 0.000 1.219 48 R HN -0.811 7.589 8.270 0.217 0.000 0.474 49 Q N -0.336 119.531 119.800 0.112 0.000 2.364 49 Q HA -0.327 4.051 4.340 0.064 0.000 0.209 49 Q C -0.353 175.671 176.000 0.040 0.000 0.977 49 Q CA 3.428 59.272 55.803 0.068 0.000 0.885 49 Q CB 0.215 28.981 28.738 0.047 0.000 0.941 49 Q HN 0.653 8.988 8.270 0.108 0.000 0.464 50 N N -5.184 113.546 118.700 0.050 0.000 2.299 50 N HA 0.108 4.785 4.740 -0.105 0.000 0.246 50 N C -2.015 173.332 175.510 -0.272 0.000 1.254 50 N CA -1.371 51.616 53.050 -0.106 0.000 0.879 50 N CB -0.134 38.247 38.487 -0.176 0.000 1.214 50 N HN 0.022 8.445 8.380 0.126 0.033 0.510 51 W N -2.118 119.179 121.300 -0.005 0.000 2.998 51 W HA 0.583 5.439 4.660 -0.010 -0.202 0.335 51 W C -1.704 174.818 176.519 0.006 0.000 1.110 51 W CA -0.615 56.726 57.345 -0.008 0.000 1.230 51 W CB 3.994 33.442 29.460 -0.021 0.000 1.405 51 W HN -0.591 7.634 8.180 0.256 0.109 0.493 52 V N 2.276 122.350 119.914 0.266 0.000 2.555 52 V HA 0.603 4.994 4.120 0.164 -0.173 0.302 52 V C -1.757 174.449 176.094 0.186 0.000 1.038 52 V CA -1.847 60.559 62.300 0.176 0.000 0.887 52 V CB 4.013 35.898 31.823 0.104 0.000 0.991 52 V HN 0.610 8.968 8.190 0.279 0.000 0.434 53 M N 8.258 127.941 119.600 0.139 0.000 2.209 53 M HA 0.669 5.378 4.480 0.136 -0.148 0.355 53 M C -1.746 174.596 176.300 0.070 0.000 1.171 53 M CA -0.639 54.729 55.300 0.113 0.000 1.069 53 M CB 2.370 35.027 32.600 0.096 0.000 1.622 53 M HN 0.232 8.600 8.290 0.129 0.000 0.459 54 T N 4.372 118.948 114.554 0.037 0.000 2.647 54 T HA 0.526 5.073 4.350 -0.018 -0.208 0.295 54 T C -2.385 172.251 174.700 -0.108 0.000 1.126 54 T CA -2.592 59.491 62.100 -0.027 0.000 1.040 54 T CB 2.499 71.350 68.868 -0.029 0.000 1.472 54 T HN 0.188 8.456 8.240 0.047 0.000 0.500 55 A N -0.724 121.966 122.820 -0.217 0.000 2.331 55 A HA 0.250 4.522 4.320 -0.310 -0.139 0.283 55 A C 0.647 177.948 177.584 -0.472 0.000 1.142 55 A CA -0.898 50.915 52.037 -0.373 0.000 0.812 55 A CB 0.886 19.543 19.000 -0.571 0.000 1.074 55 A HN 0.359 8.377 8.150 -0.220 0.000 0.497 56 A N 4.961 127.413 122.820 -0.614 0.000 1.948 56 A HA -0.309 3.704 4.320 -0.510 0.000 0.220 56 A C 1.388 178.551 177.584 -0.702 0.000 1.177 56 A CA 3.117 54.678 52.037 -0.793 0.000 0.636 56 A CB -0.606 17.516 19.000 -1.463 0.000 0.815 56 A HN 0.611 8.424 8.150 -0.618 -0.034 0.449 57 H N -5.292 113.376 119.070 -0.671 0.000 2.546 57 H HA -0.088 4.621 4.556 -0.004 -0.156 0.277 57 H C 0.576 175.855 175.328 -0.082 0.000 1.004 57 H CA 1.593 57.524 56.048 -0.194 0.000 1.231 57 H CB -0.881 28.881 29.762 -0.001 0.000 1.382 57 H HN -0.264 7.785 8.280 -0.748 -0.218 0.580 58 c N -2.525 115.838 118.600 -0.395 0.000 2.464 58 c HA -0.138 4.361 4.570 -0.119 0.000 0.278 58 c C 0.532 174.571 174.090 -0.086 0.000 1.375 58 c CA 2.395 58.600 56.329 -0.206 0.000 1.761 58 c CB 0.586 42.947 42.510 -0.249 0.000 1.944 58 c HN -0.572 7.163 8.230 -0.578 0.148 0.509 59 V N -8.659 111.204 119.914 -0.085 0.000 3.432 59 V HA 0.226 4.339 4.120 -0.012 0.000 0.298 59 V C 0.010 176.115 176.094 0.018 0.000 1.464 59 V CA -0.357 61.927 62.300 -0.027 0.000 1.046 59 V CB 1.343 33.151 31.823 -0.024 0.000 0.887 59 V HN -0.624 7.456 8.190 -0.131 0.032 0.441 60 D N 2.034 122.464 120.400 0.050 0.000 2.690 60 D HA 0.024 4.730 4.640 0.109 0.000 0.236 60 D C -0.946 175.414 176.300 0.099 0.000 1.218 60 D CA -0.837 53.236 54.000 0.122 0.000 0.829 60 D CB -1.797 39.167 40.800 0.272 0.000 1.009 60 D HN -0.125 8.274 8.370 0.049 0.000 0.482 61 R N -1.187 119.344 120.500 0.051 0.000 2.854 61 R HA 0.171 4.527 4.340 0.026 0.000 0.271 61 R C -1.106 175.197 176.300 0.005 0.000 0.994 61 R CA -1.531 54.580 56.100 0.018 0.000 0.945 61 R CB 3.038 33.325 30.300 -0.022 0.000 1.194 61 R HN -0.821 7.384 8.270 0.041 0.089 0.476 62 E N 1.540 121.734 120.200 -0.010 0.000 1.892 62 E HA 0.077 4.430 4.350 0.005 0.000 0.271 62 E C -1.299 175.286 176.600 -0.026 0.000 1.146 62 E CA -0.362 56.032 56.400 -0.008 0.000 1.096 62 E CB -1.662 28.034 29.700 -0.007 0.000 1.155 62 E HN 0.374 8.724 8.360 -0.016 0.000 0.458 63 L N 0.682 121.899 121.223 -0.011 0.000 2.409 63 L HA 0.296 4.638 4.340 0.004 0.000 0.255 63 L C -0.470 176.436 176.870 0.060 0.000 1.027 63 L CA -1.339 53.503 54.840 0.004 0.000 0.834 63 L CB 3.078 45.108 42.059 -0.048 0.000 1.426 63 L HN -0.525 7.677 8.230 0.004 0.031 0.411 64 T N 1.652 116.264 114.554 0.098 0.000 2.948 64 T HA 0.252 4.680 4.350 0.129 0.000 0.285 64 T C -1.328 173.545 174.700 0.288 0.000 1.019 64 T CA 0.177 62.364 62.100 0.146 0.000 1.013 64 T CB 1.415 70.345 68.868 0.102 0.000 1.117 64 T HN 0.345 8.641 8.240 0.093 0.000 0.533 65 R N -0.767 119.786 120.500 0.088 0.000 2.712 65 R HA 0.498 4.783 4.340 -0.091 0.000 0.272 65 R C -3.090 173.147 176.300 -0.104 0.000 1.032 65 R CA -0.720 55.285 56.100 -0.158 0.000 0.874 65 R CB 3.208 33.150 30.300 -0.595 0.000 1.256 65 R HN 0.453 8.810 8.270 0.144 0.000 0.468 66 V N 0.600 120.449 119.914 -0.107 0.000 2.513 66 V HA 0.625 4.863 4.120 -0.054 -0.150 0.299 66 V C -1.649 174.374 176.094 -0.119 0.000 1.035 66 V CA -1.776 60.479 62.300 -0.075 0.000 0.889 66 V CB 3.339 35.136 31.823 -0.044 0.000 0.988 66 V HN 0.231 8.351 8.190 -0.116 0.000 0.440 67 V N 5.736 125.574 119.914 -0.126 0.000 2.409 67 V HA 0.629 4.736 4.120 -0.319 -0.178 0.291 67 V C -0.810 175.203 176.094 -0.136 0.000 1.020 67 V CA -1.799 60.360 62.300 -0.234 0.000 0.848 67 V CB 1.478 33.117 31.823 -0.308 0.000 0.990 67 V HN 0.289 8.426 8.190 -0.088 0.000 0.430 68 V N 0.659 120.489 119.914 -0.140 0.000 2.850 68 V HA 0.547 4.694 4.120 0.045 0.000 0.315 68 V C 0.488 176.553 176.094 -0.047 0.000 1.064 68 V CA -3.389 58.893 62.300 -0.029 0.000 0.979 68 V CB 2.318 34.138 31.823 -0.004 0.000 1.039 68 V HN -0.061 8.013 8.190 -0.194 0.000 0.452 69 G N -0.242 108.595 108.800 0.061 0.000 2.153 69 G HA2 -0.523 3.653 3.960 0.151 0.000 0.252 69 G HA3 -0.523 3.621 3.960 0.004 -0.182 0.252 69 G C -1.248 173.677 174.900 0.040 0.000 0.994 69 G CA 0.301 45.440 45.100 0.064 0.000 0.698 69 G HN 0.577 8.936 8.290 0.116 0.000 0.521 70 E N -1.299 118.968 120.200 0.112 0.000 2.301 70 E HA -0.070 4.304 4.350 0.041 0.000 0.275 70 E C -1.360 175.490 176.600 0.417 0.000 1.030 70 E CA -0.560 55.925 56.400 0.142 0.000 0.852 70 E CB 1.057 30.743 29.700 -0.023 0.000 1.060 70 E HN -0.529 7.885 8.360 0.148 0.034 0.401 71 H N 7.035 126.257 119.070 0.254 0.000 2.067 71 H HA 0.203 5.021 4.556 0.437 0.000 0.220 71 H C -0.776 174.794 175.328 0.404 0.000 0.883 71 H CA 1.837 58.081 56.048 0.328 0.000 1.042 71 H CB 3.175 33.026 29.762 0.147 0.000 1.305 71 H HN 0.359 9.076 8.280 0.271 -0.274 0.430 72 N N -0.563 118.246 118.700 0.181 0.000 2.446 72 N HA 0.331 5.370 4.740 0.101 -0.239 0.265 72 N C 1.442 176.950 175.510 -0.004 0.000 0.975 72 N CA -1.671 51.432 53.050 0.089 0.000 0.928 72 N CB 0.886 39.437 38.487 0.105 0.000 1.160 72 N HN -0.444 8.522 8.380 0.206 -0.463 0.495 73 L N 6.150 127.304 121.223 -0.115 0.000 2.191 73 L HA -0.201 3.976 4.340 -0.271 0.000 0.212 73 L C 1.019 177.836 176.870 -0.088 0.000 1.103 73 L CA 2.320 57.023 54.840 -0.229 0.000 0.769 73 L CB -0.060 41.796 42.059 -0.338 0.000 0.908 73 L HN 0.729 8.919 8.230 -0.067 0.000 0.438 74 N N -4.686 113.993 118.700 -0.034 0.000 2.214 74 N HA 0.133 4.866 4.740 -0.012 0.000 0.214 74 N C -1.296 174.221 175.510 0.011 0.000 1.132 74 N CA 0.102 53.148 53.050 -0.007 0.000 0.856 74 N CB 1.227 39.714 38.487 0.001 0.000 1.020 74 N HN -0.193 8.455 8.380 -0.020 -0.280 0.509 75 Q N -1.179 118.633 119.800 0.020 0.000 2.379 75 Q HA 0.188 4.543 4.340 0.025 0.000 0.278 75 Q C -2.002 174.019 176.000 0.036 0.000 1.068 75 Q CA -1.340 54.481 55.803 0.030 0.000 0.816 75 Q CB 3.658 32.420 28.738 0.041 0.000 1.387 75 Q HN -0.840 7.441 8.270 0.018 0.000 0.413 76 N N 2.341 121.061 118.700 0.033 0.000 2.438 76 N HA -0.316 4.587 4.740 0.049 -0.133 0.267 76 N C -0.494 175.028 175.510 0.019 0.000 1.222 76 N CA 0.670 53.741 53.050 0.034 0.000 0.930 76 N CB -0.045 38.458 38.487 0.026 0.000 1.083 76 N HN 0.207 8.603 8.380 0.028 0.000 0.476 77 D N 6.864 127.269 120.400 0.007 0.000 2.333 77 D HA 0.083 4.719 4.640 -0.006 0.000 0.208 77 D C 0.945 177.196 176.300 -0.082 0.000 0.984 77 D CA 1.330 55.315 54.000 -0.025 0.000 0.873 77 D CB 0.929 41.715 40.800 -0.024 0.000 0.935 77 D HN 0.105 8.985 8.370 0.010 -0.504 0.521 78 G N -1.099 107.662 108.800 -0.064 0.000 2.159 78 G HA2 -0.331 3.603 3.960 -0.042 0.000 0.256 78 G HA3 -0.331 3.577 3.960 -0.086 0.000 0.256 78 G C 0.089 174.908 174.900 -0.135 0.000 0.977 78 G CA 1.084 46.137 45.100 -0.078 0.000 0.652 78 G HN -0.254 8.384 8.290 -0.032 -0.367 0.531 79 T N -6.261 108.180 114.554 -0.189 0.000 3.087 79 T HA -0.014 4.200 4.350 -0.227 0.000 0.283 79 T C -0.014 174.590 174.700 -0.161 0.000 0.956 79 T CA -1.381 60.565 62.100 -0.258 0.000 0.894 79 T CB 1.105 69.606 68.868 -0.611 0.000 1.160 79 T HN -0.233 7.871 8.240 -0.168 0.035 0.532 80 E N 1.648 121.750 120.200 -0.164 0.000 2.383 80 E HA 0.170 4.551 4.350 -0.271 -0.193 0.264 80 E C -0.484 175.935 176.600 -0.302 0.000 1.050 80 E CA 0.826 57.047 56.400 -0.298 0.000 0.896 80 E CB 0.698 30.112 29.700 -0.476 0.000 0.982 80 E HN -0.234 8.044 8.360 -0.137 0.000 0.424 81 Q N 1.747 121.328 119.800 -0.365 0.000 2.337 81 Q HA 0.245 4.497 4.340 -0.146 0.000 0.270 81 Q C -1.633 174.123 176.000 -0.406 0.000 1.043 81 Q CA -1.080 54.572 55.803 -0.252 0.000 0.794 81 Q CB 3.337 32.012 28.738 -0.105 0.000 1.281 81 Q HN 0.128 8.170 8.270 -0.380 0.000 0.446 82 Y N 2.452 122.690 120.300 -0.104 0.000 2.331 82 Y HA 0.648 5.249 4.550 -0.182 -0.160 0.338 82 Y C 0.122 175.929 175.900 -0.155 0.000 0.992 82 Y CA -1.221 56.781 58.100 -0.165 0.000 1.121 82 Y CB 1.868 40.202 38.460 -0.212 0.000 1.184 82 Y HN 0.373 8.709 8.280 0.094 0.000 0.469 83 V N 2.260 122.144 119.914 -0.050 0.000 2.808 83 V HA 0.357 4.450 4.120 -0.045 0.000 0.308 83 V C -0.723 175.317 176.094 -0.090 0.000 1.099 83 V CA -1.660 60.603 62.300 -0.062 0.000 0.920 83 V CB 4.918 36.704 31.823 -0.062 0.000 1.014 83 V HN 0.452 8.593 8.190 -0.082 0.000 0.425 84 G N 3.670 112.426 108.800 -0.073 0.000 2.599 84 G HA2 0.291 4.208 3.960 -0.073 0.000 0.264 84 G HA3 0.291 4.230 3.960 -0.035 0.000 0.264 84 G C -1.796 173.069 174.900 -0.057 0.000 1.200 84 G CA -1.327 43.738 45.100 -0.059 0.000 0.896 84 G HN 0.248 8.501 8.290 -0.061 0.000 0.536 85 V N 0.926 120.822 119.914 -0.031 0.000 2.370 85 V HA -0.108 3.967 4.120 -0.076 0.000 0.279 85 V C -1.478 174.588 176.094 -0.046 0.000 1.029 85 V CA -0.148 62.125 62.300 -0.044 0.000 0.870 85 V CB 0.906 32.724 31.823 -0.009 0.000 0.984 85 V HN -0.017 8.171 8.190 -0.004 0.000 0.451 86 Q N 8.673 128.418 119.800 -0.092 0.000 2.297 86 Q HA -0.065 4.243 4.340 -0.053 0.000 0.203 86 Q C -0.151 175.806 176.000 -0.073 0.000 0.931 86 Q CA 1.421 57.174 55.803 -0.083 0.000 0.885 86 Q CB 1.711 30.375 28.738 -0.123 0.000 0.991 86 Q HN 0.689 8.879 8.270 -0.133 0.000 0.498 87 K N -1.853 118.488 120.400 -0.099 0.000 2.525 87 K HA 0.277 4.587 4.320 -0.017 0.000 0.254 87 K C -2.460 174.134 176.600 -0.010 0.000 0.934 87 K CA -0.536 55.722 56.287 -0.049 0.000 0.802 87 K CB 4.003 36.464 32.500 -0.065 0.000 1.295 87 K HN -0.694 7.474 8.250 -0.136 0.000 0.433 88 I N 4.043 124.640 120.570 0.045 0.000 2.389 88 I HA 0.296 4.646 4.170 0.093 -0.124 0.288 88 I C -0.651 175.545 176.117 0.131 0.000 0.999 88 I CA -1.039 60.313 61.300 0.086 0.000 1.129 88 I CB 1.666 39.706 38.000 0.068 0.000 1.288 88 I HN 0.186 8.422 8.210 0.044 0.000 0.444 89 V N 9.471 129.500 119.914 0.192 0.000 2.326 89 V HA 0.273 4.507 4.120 0.190 0.000 0.281 89 V C -1.564 174.708 176.094 0.296 0.000 1.015 89 V CA -1.264 61.171 62.300 0.224 0.000 0.823 89 V CB 1.343 33.291 31.823 0.210 0.000 1.009 89 V HN 0.807 9.129 8.190 0.221 0.000 0.436 90 V N 6.702 126.762 119.914 0.243 0.000 2.686 90 V HA -0.143 4.074 4.120 0.162 0.000 0.295 90 V C -0.369 175.885 176.094 0.267 0.000 1.057 90 V CA -0.960 61.466 62.300 0.210 0.000 1.012 90 V CB 1.225 33.139 31.823 0.151 0.000 1.006 90 V HN 0.287 8.600 8.190 0.206 0.000 0.477 91 H N 7.559 126.620 119.070 -0.015 0.000 3.094 91 H HA -0.069 4.254 4.556 -0.388 0.000 0.320 91 H C 0.102 175.437 175.328 0.013 0.000 1.000 91 H CA 0.900 56.792 56.048 -0.259 0.000 1.413 91 H CB 1.058 30.484 29.762 -0.560 0.000 1.405 91 H HN -0.342 7.962 8.280 0.039 0.000 0.586 92 P HA -0.122 4.362 4.420 0.106 0.000 0.225 92 P C -0.895 176.541 177.300 0.226 0.000 1.148 92 P CA 1.427 64.554 63.100 0.044 0.000 0.779 92 P CB 0.310 31.947 31.700 -0.105 0.000 0.780 93 Y N -5.658 114.728 120.300 0.143 0.000 2.466 93 Y HA -0.039 4.388 4.550 -0.204 0.000 0.272 93 Y C 0.033 175.867 175.900 -0.111 0.000 1.169 93 Y CA -1.094 56.867 58.100 -0.231 0.000 1.285 93 Y CB 0.935 38.800 38.460 -0.992 0.000 1.078 93 Y HN -0.674 8.020 8.280 0.759 0.042 0.523 94 W N 1.391 122.755 121.300 0.108 0.000 2.210 94 W HA -0.171 4.568 4.660 0.132 0.000 0.330 94 W C -1.362 175.188 176.519 0.052 0.000 1.334 94 W CA 0.269 57.671 57.345 0.096 0.000 1.227 94 W CB 0.850 30.367 29.460 0.094 0.000 1.178 94 W HN -0.933 7.504 8.180 0.505 0.046 0.560 95 N N 6.748 124.872 118.700 -0.960 0.000 2.407 95 N HA 0.251 4.662 4.740 -0.548 0.000 0.277 95 N C -0.793 173.911 175.510 -1.343 0.000 0.995 95 N CA -1.469 51.065 53.050 -0.860 0.000 0.903 95 N CB 2.625 40.805 38.487 -0.512 0.000 1.218 95 N HN 0.200 7.910 8.380 -1.117 0.000 0.487 96 T N 7.658 121.758 114.554 -0.758 0.000 2.905 96 T HA -0.299 4.143 4.350 -0.109 -0.157 0.299 96 T C -0.201 174.315 174.700 -0.307 0.000 1.024 96 T CA 2.475 64.371 62.100 -0.340 0.000 1.151 96 T CB 0.227 69.066 68.868 -0.048 0.000 0.987 96 T HN 0.373 8.313 8.240 -0.499 0.000 0.535 97 D N 1.968 122.316 120.400 -0.087 0.000 2.702 97 D HA -0.357 4.314 4.640 0.053 0.000 0.233 97 D C -1.565 174.608 176.300 -0.212 0.000 1.164 97 D CA 1.847 55.806 54.000 -0.068 0.000 0.638 97 D CB -0.821 39.959 40.800 -0.034 0.000 1.041 97 D HN 0.704 9.172 8.370 0.164 0.000 0.422 98 D N -1.636 118.515 120.400 -0.414 0.000 2.846 98 D HA 0.439 4.918 4.640 -0.269 0.000 0.273 98 D C -1.326 174.783 176.300 -0.318 0.000 1.145 98 D CA -1.528 52.253 54.000 -0.365 0.000 1.091 98 D CB 2.409 42.974 40.800 -0.391 0.000 1.364 98 D HN -0.511 7.406 8.370 -0.696 0.035 0.613 99 A N -2.871 119.888 122.820 -0.101 0.000 3.708 99 A HA -0.329 3.974 4.320 -0.030 0.000 0.244 99 A C -1.704 175.904 177.584 0.040 0.000 0.973 99 A CA 0.804 52.823 52.037 -0.029 0.000 1.599 99 A CB -0.941 18.020 19.000 -0.064 0.000 0.936 99 A HN 0.406 8.468 8.150 -0.146 0.000 0.804 100 G N -2.790 106.055 108.800 0.075 0.000 2.615 100 G HA2 -0.301 3.711 3.960 0.087 0.000 0.218 100 G HA3 -0.301 3.564 3.960 -0.159 0.000 0.218 100 G C -0.710 174.314 174.900 0.207 0.000 1.339 100 G CA -0.523 44.600 45.100 0.038 0.000 0.884 100 G HN -0.682 7.657 8.290 0.082 0.000 0.559 101 Y N -5.848 114.508 120.300 0.094 0.000 4.177 101 Y HA -0.456 3.885 4.550 -0.348 0.000 0.227 101 Y C -0.980 174.871 175.900 -0.082 0.000 1.154 101 Y CA 0.453 58.485 58.100 -0.113 0.000 1.887 101 Y CB -2.505 35.890 38.460 -0.108 0.000 1.594 101 Y HN -0.029 8.051 8.280 -0.334 0.000 0.668 102 D N -0.335 120.058 120.400 -0.011 0.000 2.551 102 D HA 0.041 4.340 4.640 -0.567 0.000 0.223 102 D C -1.489 174.593 176.300 -0.362 0.000 1.144 102 D CA 0.178 54.021 54.000 -0.262 0.000 1.025 102 D CB -0.849 39.920 40.800 -0.052 0.000 1.085 102 D HN -0.017 8.338 8.370 0.031 0.034 0.506 103 I N 1.886 122.201 120.570 -0.425 0.000 2.787 103 I HA 0.473 4.655 4.170 -0.258 -0.167 0.294 103 I C -3.305 172.700 176.117 -0.187 0.000 1.365 103 I CA -1.107 59.995 61.300 -0.330 0.000 1.029 103 I CB 4.170 41.883 38.000 -0.477 0.000 1.313 103 I HN -0.596 7.339 8.210 -0.458 0.000 0.431 104 A N 5.462 128.282 122.820 -0.001 0.000 2.572 104 A HA 0.855 5.497 4.320 0.331 -0.124 0.295 104 A C -2.709 175.021 177.584 0.242 0.000 1.072 104 A CA -1.430 50.707 52.037 0.168 0.000 0.691 104 A CB 3.921 22.930 19.000 0.014 0.000 1.291 104 A HN 0.057 8.226 8.150 0.031 0.000 0.404 105 L N -0.181 121.224 121.223 0.303 0.000 2.346 105 L HA 0.818 5.474 4.340 0.257 -0.162 0.274 105 L C -1.189 175.882 176.870 0.335 0.000 1.007 105 L CA -1.660 53.355 54.840 0.291 0.000 0.818 105 L CB 3.316 45.478 42.059 0.170 0.000 1.284 105 L HN 0.049 8.497 8.230 0.363 0.000 0.424 106 L N 0.336 121.743 121.223 0.305 0.000 2.325 106 L HA 0.682 5.249 4.340 0.086 -0.176 0.281 106 L C -1.149 175.665 176.870 -0.093 0.000 1.004 106 L CA -1.718 53.189 54.840 0.111 0.000 0.823 106 L CB 2.020 44.107 42.059 0.047 0.000 1.236 106 L HN 0.636 9.063 8.230 0.328 0.000 0.415 107 R N 4.042 124.235 120.500 -0.512 0.000 2.254 107 R HA 0.404 4.077 4.340 -1.380 -0.161 0.318 107 R C -1.044 174.963 176.300 -0.489 0.000 1.031 107 R CA -1.177 54.303 56.100 -1.034 0.000 0.905 107 R CB 1.778 31.293 30.300 -1.308 0.000 1.050 107 R HN -0.012 8.000 8.270 -0.430 0.000 0.456 108 L N 4.650 125.622 121.223 -0.419 0.000 2.418 108 L HA 0.169 4.544 4.340 -0.179 -0.142 0.265 108 L C 0.158 176.904 176.870 -0.207 0.000 1.143 108 L CA -0.236 54.465 54.840 -0.232 0.000 0.809 108 L CB 0.875 42.833 42.059 -0.168 0.000 1.124 108 L HN 0.013 7.927 8.230 -0.526 0.000 0.456 109 A N 0.651 123.391 122.820 -0.133 0.000 2.067 109 A HA -0.166 4.087 4.320 -0.112 0.000 0.219 109 A C -0.936 176.596 177.584 -0.087 0.000 1.158 109 A CA 1.833 53.810 52.037 -0.100 0.000 0.661 109 A CB 0.597 19.557 19.000 -0.066 0.000 0.801 109 A HN 0.588 8.567 8.150 -0.113 0.103 0.452 110 Q N -7.181 112.569 119.800 -0.084 0.000 2.462 110 Q HA 0.192 4.494 4.340 -0.063 0.000 0.285 110 Q C -2.027 173.935 176.000 -0.063 0.000 1.035 110 Q CA -1.816 53.949 55.803 -0.063 0.000 0.799 110 Q CB 2.251 30.965 28.738 -0.040 0.000 1.452 110 Q HN -0.550 7.638 8.270 -0.091 0.027 0.404 111 S N 0.959 116.633 115.700 -0.044 0.000 2.565 111 S HA 0.195 4.830 4.470 -0.035 -0.186 0.276 111 S C 0.292 174.881 174.600 -0.017 0.000 1.326 111 S CA -0.416 57.767 58.200 -0.028 0.000 1.045 111 S CB 0.194 63.388 63.200 -0.010 0.000 0.918 111 S HN 0.148 8.436 8.310 -0.037 0.000 0.505 112 V N -0.880 119.029 119.914 -0.008 0.000 2.997 112 V HA 0.412 4.587 4.120 -0.008 -0.060 0.311 112 V C -0.679 175.421 176.094 0.010 0.000 1.066 112 V CA -2.156 60.143 62.300 -0.002 0.000 1.039 112 V CB 1.746 33.568 31.823 -0.001 0.000 1.081 112 V HN 0.014 8.202 8.190 -0.004 0.000 0.467 113 T N 3.314 117.875 114.554 0.012 0.000 2.845 113 T HA 0.022 4.383 4.350 0.018 0.000 0.288 113 T C -0.962 173.755 174.700 0.029 0.000 0.980 113 T CA -0.006 62.106 62.100 0.019 0.000 1.071 113 T CB 0.896 69.776 68.868 0.019 0.000 0.941 113 T HN -0.221 8.306 8.240 0.009 -0.281 0.487 114 L N 5.116 126.355 121.223 0.027 0.000 2.375 114 L HA 0.173 4.656 4.340 0.037 -0.121 0.271 114 L C -0.936 175.948 176.870 0.023 0.000 1.107 114 L CA -0.319 54.538 54.840 0.029 0.000 0.806 114 L CB 0.849 42.922 42.059 0.023 0.000 1.146 114 L HN 0.274 8.518 8.230 0.023 0.000 0.447 115 N N 0.830 119.540 118.700 0.017 0.000 3.449 115 N HA 0.071 4.796 4.740 -0.026 0.000 0.312 115 N C -0.132 175.318 175.510 -0.100 0.000 1.557 115 N CA -0.550 52.493 53.050 -0.013 0.000 0.864 115 N CB 0.668 39.187 38.487 0.054 0.000 1.799 115 N HN -0.047 8.345 8.380 0.021 0.000 0.554 116 S N -3.839 111.703 115.700 -0.265 0.000 2.507 116 S HA -0.125 4.177 4.470 -0.280 0.000 0.235 116 S C 0.567 174.856 174.600 -0.518 0.000 0.988 116 S CA 2.373 60.312 58.200 -0.435 0.000 0.944 116 S CB -0.807 62.060 63.200 -0.555 0.000 0.762 116 S HN 0.225 8.374 8.310 -0.268 0.000 0.526 117 Y N -1.137 119.156 120.300 -0.013 0.000 2.458 117 Y HA 0.137 4.686 4.550 -0.002 0.000 0.254 117 Y C -0.311 175.604 175.900 0.025 0.000 1.120 117 Y CA -0.402 57.699 58.100 0.002 0.000 1.282 117 Y CB 1.423 39.885 38.460 0.004 0.000 1.109 117 Y HN -0.303 8.158 8.280 -0.176 -0.287 0.526 118 V N -0.366 119.619 119.914 0.118 0.000 2.445 118 V HA 0.279 4.640 4.120 0.116 -0.171 0.283 118 V C -1.754 174.377 176.094 0.061 0.000 1.014 118 V CA -1.089 61.271 62.300 0.100 0.000 0.852 118 V CB 1.219 33.097 31.823 0.091 0.000 1.021 118 V HN -0.715 7.573 8.190 0.062 -0.061 0.435 119 Q N 4.711 124.551 119.800 0.067 0.000 2.495 119 Q HA 0.348 4.714 4.340 0.045 0.000 0.287 119 Q C -1.955 174.093 176.000 0.079 0.000 1.078 119 Q CA -2.314 53.522 55.803 0.055 0.000 0.793 119 Q CB 4.892 33.652 28.738 0.036 0.000 1.459 119 Q HN -0.239 7.978 8.270 0.084 0.104 0.422 120 L N -0.293 120.974 121.223 0.072 0.000 2.397 120 L HA 0.021 4.558 4.340 0.093 -0.142 0.271 120 L C 0.971 177.902 176.870 0.101 0.000 1.148 120 L CA -0.364 54.527 54.840 0.085 0.000 0.825 120 L CB 0.251 42.353 42.059 0.071 0.000 1.117 120 L HN 0.187 8.453 8.230 0.060 0.000 0.456 121 G N 2.154 111.024 108.800 0.116 0.000 2.406 121 G HA2 -0.051 4.010 3.960 0.170 0.000 0.251 121 G HA3 -0.051 3.991 3.960 0.137 0.000 0.251 121 G C -1.035 173.930 174.900 0.109 0.000 1.271 121 G CA -0.554 44.628 45.100 0.137 0.000 0.859 121 G HN 0.277 8.635 8.290 0.113 0.000 0.540 122 V N 4.405 124.393 119.914 0.124 0.000 2.498 122 V HA 0.002 4.164 4.120 0.071 0.000 0.279 122 V C -0.838 175.295 176.094 0.065 0.000 1.048 122 V CA -0.094 62.261 62.300 0.092 0.000 0.967 122 V CB 0.733 32.623 31.823 0.112 0.000 0.988 122 V HN 0.264 8.548 8.190 0.157 0.000 0.473 123 L N 7.068 128.306 121.223 0.025 0.000 2.360 123 L HA 0.461 4.778 4.340 -0.038 0.000 0.271 123 L C -1.328 175.506 176.870 -0.061 0.000 1.057 123 L CA -2.679 52.148 54.840 -0.023 0.000 0.803 123 L CB 0.021 42.071 42.059 -0.015 0.000 1.207 123 L HN 0.254 8.499 8.230 0.025 0.000 0.445 124 P HA 0.029 4.383 4.420 -0.112 0.000 0.274 124 P C -0.993 176.258 177.300 -0.082 0.000 1.246 124 P CA -0.883 62.110 63.100 -0.179 0.000 0.795 124 P CB 0.468 31.887 31.700 -0.469 0.000 1.006 125 R N -1.501 118.976 120.500 -0.038 0.000 2.643 125 R HA -0.117 4.213 4.340 -0.017 0.000 0.270 125 R C 0.065 176.351 176.300 -0.023 0.000 1.061 125 R CA -2.096 53.992 56.100 -0.019 0.000 1.107 125 R CB -0.330 29.969 30.300 -0.002 0.000 0.999 125 R HN 0.295 8.552 8.270 -0.021 0.000 0.460 126 A N 0.262 123.073 122.820 -0.016 0.000 2.567 126 A HA -0.286 4.169 4.320 -0.018 -0.145 0.240 126 A C 0.818 178.391 177.584 -0.018 0.000 1.053 126 A CA 1.504 53.531 52.037 -0.016 0.000 0.755 126 A CB -0.191 18.803 19.000 -0.011 0.000 0.978 126 A HN 0.071 8.214 8.150 -0.012 0.000 0.507 127 G N 4.611 113.395 108.800 -0.027 0.000 2.199 127 G HA2 -0.404 3.531 3.960 -0.041 0.000 0.254 127 G HA3 -0.404 3.542 3.960 -0.023 0.000 0.254 127 G C 0.080 174.975 174.900 -0.009 0.000 0.982 127 G CA 0.036 45.120 45.100 -0.027 0.000 0.632 127 G HN 0.274 8.543 8.290 -0.035 0.000 0.529 128 T N 2.469 117.028 114.554 0.009 0.000 2.902 128 T HA -0.186 4.188 4.350 0.039 0.000 0.301 128 T C -1.681 173.061 174.700 0.070 0.000 1.012 128 T CA 2.074 64.203 62.100 0.048 0.000 1.151 128 T CB 0.562 69.486 68.868 0.093 0.000 0.946 128 T HN -0.565 7.612 8.240 -0.000 0.063 0.542 129 I N 2.967 123.569 120.570 0.054 0.000 2.465 129 I HA 0.181 4.387 4.170 0.060 0.000 0.291 129 I C -0.510 175.621 176.117 0.024 0.000 1.014 129 I CA -2.064 59.261 61.300 0.041 0.000 1.093 129 I CB 1.515 39.520 38.000 0.008 0.000 1.267 129 I HN -0.029 8.206 8.210 0.041 0.000 0.431 130 L N 5.993 127.213 121.223 -0.004 0.000 2.349 130 L HA 0.106 4.408 4.340 -0.064 0.000 0.275 130 L C -0.205 176.638 176.870 -0.045 0.000 1.115 130 L CA -0.758 54.045 54.840 -0.063 0.000 0.820 130 L CB 0.162 42.130 42.059 -0.152 0.000 1.135 130 L HN 0.135 8.367 8.230 0.003 0.000 0.445 131 A N 1.108 123.901 122.820 -0.044 0.000 2.547 131 A HA -0.251 4.055 4.320 -0.023 0.000 0.233 131 A C -0.687 176.871 177.584 -0.044 0.000 1.067 131 A CA 0.273 52.290 52.037 -0.034 0.000 0.763 131 A CB 0.652 19.634 19.000 -0.030 0.000 1.007 131 A HN 0.176 8.299 8.150 -0.045 0.000 0.506 132 N N 0.232 118.910 118.700 -0.036 0.000 2.353 132 N HA -0.447 4.262 4.740 -0.052 0.000 0.248 132 N C 0.387 175.869 175.510 -0.047 0.000 1.240 132 N CA 1.607 54.630 53.050 -0.045 0.000 0.862 132 N CB 0.460 38.922 38.487 -0.042 0.000 1.086 132 N HN 0.359 8.722 8.380 -0.028 0.000 0.453 133 N N 0.976 119.641 118.700 -0.059 0.000 2.741 133 N HA -0.398 4.393 4.740 -0.076 -0.097 0.250 133 N C -0.709 174.764 175.510 -0.062 0.000 1.115 133 N CA 1.417 54.432 53.050 -0.057 0.000 0.724 133 N CB -0.727 37.745 38.487 -0.025 0.000 1.090 133 N HN 0.153 8.401 8.380 -0.066 0.093 0.558 134 S N -1.361 114.288 115.700 -0.086 0.000 2.576 134 S HA 0.206 4.644 4.470 -0.055 0.000 0.276 134 S C -2.213 172.324 174.600 -0.105 0.000 1.339 134 S CA -0.244 57.904 58.200 -0.086 0.000 1.039 134 S CB 0.476 63.602 63.200 -0.123 0.000 0.902 134 S HN -0.442 7.775 8.310 -0.092 0.038 0.516 135 P HA 0.287 4.662 4.420 -0.075 0.000 0.287 135 P C -1.925 175.398 177.300 0.038 0.000 1.307 135 P CA -0.105 63.026 63.100 0.051 0.000 0.777 135 P CB 0.233 32.083 31.700 0.250 0.000 0.883 136 c N 0.940 119.452 118.600 -0.147 0.000 2.994 136 c HA 0.838 5.711 4.570 0.202 -0.181 0.304 136 c C -1.006 172.961 174.090 -0.205 0.000 1.273 136 c CA -1.170 55.129 56.329 -0.050 0.000 1.537 136 c CB 4.553 46.947 42.510 -0.193 0.000 2.001 136 c HN 0.070 8.067 8.230 -0.389 0.000 0.471 137 Y N -1.475 118.835 120.300 0.016 0.000 2.409 137 Y HA 0.615 5.316 4.550 -0.017 -0.161 0.343 137 Y C -0.982 174.807 175.900 -0.185 0.000 0.973 137 Y CA -1.518 56.532 58.100 -0.083 0.000 1.064 137 Y CB 3.832 42.164 38.460 -0.213 0.000 1.207 137 Y HN 0.594 9.010 8.280 0.228 0.000 0.452 138 I N 2.892 123.456 120.570 -0.009 0.000 2.472 138 I HA 0.393 4.522 4.170 -0.068 0.000 0.290 138 I C -1.632 174.424 176.117 -0.102 0.000 1.016 138 I CA -1.341 59.945 61.300 -0.023 0.000 1.348 138 I CB 2.325 40.390 38.000 0.108 0.000 1.417 138 I HN 0.005 8.219 8.210 0.006 0.000 0.521 139 T N 2.873 117.331 114.554 -0.160 0.000 2.907 139 T HA 0.960 5.351 4.350 -0.249 -0.191 0.292 139 T C -1.023 173.570 174.700 -0.178 0.000 1.043 139 T CA -2.497 59.455 62.100 -0.247 0.000 1.003 139 T CB 3.209 71.825 68.868 -0.419 0.000 1.084 139 T HN -0.371 7.792 8.240 -0.128 0.000 0.483 140 G N 0.758 109.391 108.800 -0.279 0.000 2.313 140 G HA2 0.171 3.982 3.960 -0.250 0.000 0.296 140 G HA3 0.171 4.269 3.960 -0.040 -0.161 0.296 140 G C -2.207 172.491 174.900 -0.337 0.000 1.356 140 G CA 0.488 45.449 45.100 -0.233 0.000 0.833 140 G HN -0.207 7.870 8.290 -0.354 0.000 0.552 141 W N 0.369 121.618 121.300 -0.085 0.000 3.123 141 W HA 0.336 4.913 4.660 -0.139 0.000 0.383 141 W C 0.015 176.467 176.519 -0.111 0.000 1.102 141 W CA -0.744 56.483 57.345 -0.196 0.000 1.865 141 W CB 1.042 30.200 29.460 -0.504 0.000 1.111 141 W HN 0.579 8.920 8.180 0.269 0.000 0.621 142 G N -0.371 108.536 108.800 0.178 0.000 2.683 142 G HA2 -0.058 4.118 3.960 0.229 0.000 0.260 142 G HA3 -0.058 4.157 3.960 0.177 -0.149 0.260 142 G C -0.793 174.179 174.900 0.120 0.000 1.238 142 G CA -0.692 44.514 45.100 0.177 0.000 0.934 142 G HN -0.194 8.433 8.290 0.142 -0.251 0.534 143 L N -0.933 120.359 121.223 0.114 0.000 2.573 143 L HA -0.256 4.260 4.340 0.088 -0.123 0.290 143 L C 1.386 178.298 176.870 0.069 0.000 1.247 143 L CA 1.060 55.953 54.840 0.088 0.000 0.876 143 L CB 0.042 42.150 42.059 0.082 0.000 1.123 143 L HN -0.178 8.127 8.230 0.126 0.000 0.505 144 T N -4.716 109.873 114.554 0.059 0.000 3.107 144 T HA 0.032 4.632 4.350 0.047 -0.222 0.249 144 T C -0.086 174.640 174.700 0.044 0.000 1.096 144 T CA 0.197 62.325 62.100 0.048 0.000 1.012 144 T CB 1.306 70.199 68.868 0.043 0.000 0.977 144 T HN 0.086 8.363 8.240 0.060 0.000 0.527 148 N N 0.576 119.301 118.700 0.042 0.000 2.747 148 N HA -0.282 4.484 4.740 0.043 0.000 0.249 148 N C -0.881 174.653 175.510 0.040 0.000 1.107 148 N CA 1.205 54.279 53.050 0.040 0.000 0.707 148 N CB -0.771 37.736 38.487 0.032 0.000 1.054 148 N HN 0.458 8.866 8.380 0.046 0.000 0.555 149 G N -0.670 108.157 108.800 0.045 0.000 2.882 149 G HA2 0.217 4.201 3.960 0.041 0.000 0.164 149 G HA3 0.217 4.203 3.960 0.044 0.000 0.164 149 G C -2.195 172.737 174.900 0.053 0.000 1.429 149 G CA 0.014 45.142 45.100 0.045 0.000 1.059 149 G HN -0.339 7.936 8.290 0.049 0.044 0.581 150 Q N -2.508 117.325 119.800 0.055 0.000 2.484 150 Q HA 0.224 4.604 4.340 0.067 0.000 0.285 150 Q C -1.075 174.968 176.000 0.072 0.000 1.097 150 Q CA -1.794 54.046 55.803 0.062 0.000 0.802 150 Q CB 2.608 31.378 28.738 0.053 0.000 1.444 150 Q HN 0.202 8.503 8.270 0.052 0.000 0.429 151 L N -0.139 121.134 121.223 0.084 0.000 2.506 151 L HA -0.223 4.182 4.340 0.109 0.000 0.281 151 L C 0.399 177.319 176.870 0.083 0.000 1.228 151 L CA 0.870 55.767 54.840 0.095 0.000 0.850 151 L CB 0.102 42.218 42.059 0.096 0.000 1.110 151 L HN 0.311 8.591 8.230 0.083 0.000 0.496 152 A N 2.255 125.135 122.820 0.099 0.000 2.407 152 A HA -0.026 4.339 4.320 0.074 0.000 0.248 152 A C -0.401 177.268 177.584 0.143 0.000 1.082 152 A CA 0.232 52.329 52.037 0.100 0.000 0.785 152 A CB 0.816 19.860 19.000 0.074 0.000 1.020 152 A HN -0.239 7.980 8.150 0.114 0.000 0.489 153 Q N 0.225 120.089 119.800 0.106 0.000 2.096 153 Q HA -0.117 4.268 4.340 0.074 0.000 0.197 153 Q C 0.114 176.217 176.000 0.171 0.000 0.964 153 Q CA 2.624 58.488 55.803 0.101 0.000 0.838 153 Q CB 0.703 29.475 28.738 0.057 0.000 0.906 153 Q HN 0.439 8.756 8.270 0.079 0.000 0.444 154 T N -6.067 108.547 114.554 0.100 0.000 2.925 154 T HA 0.615 5.143 4.350 -0.077 -0.224 0.285 154 T C -0.181 174.387 174.700 -0.220 0.000 1.021 154 T CA -3.097 58.959 62.100 -0.074 0.000 1.042 154 T CB 2.086 70.853 68.868 -0.168 0.000 1.037 154 T HN -0.751 7.531 8.240 0.069 0.000 0.481 155 L N 2.888 123.788 121.223 -0.539 0.000 2.499 155 L HA -0.142 3.280 4.340 -1.529 0.000 0.273 155 L C -1.387 175.241 176.870 -0.403 0.000 1.195 155 L CA 1.059 55.370 54.840 -0.882 0.000 0.882 155 L CB 0.660 42.271 42.059 -0.746 0.000 1.133 155 L HN -0.174 7.685 8.230 -0.618 0.000 0.483 156 Q N 4.899 124.483 119.800 -0.361 0.000 2.297 156 Q HA 0.610 5.035 4.340 -0.089 -0.139 0.268 156 Q C -0.900 175.025 176.000 -0.126 0.000 1.045 156 Q CA -1.980 53.733 55.803 -0.150 0.000 0.861 156 Q CB 3.235 31.918 28.738 -0.093 0.000 1.344 156 Q HN 0.014 7.998 8.270 -0.475 0.000 0.452 157 Q N -1.908 117.883 119.800 -0.015 0.000 2.423 157 Q HA 0.989 5.475 4.340 -0.070 -0.188 0.278 157 Q C -2.190 173.898 176.000 0.146 0.000 1.097 157 Q CA -2.287 53.533 55.803 0.029 0.000 0.809 157 Q CB 4.757 33.540 28.738 0.075 0.000 1.391 157 Q HN 0.546 8.831 8.270 0.025 0.000 0.428 158 A N -0.102 122.842 122.820 0.206 0.000 2.520 158 A HA 0.431 4.903 4.320 0.254 0.000 0.298 158 A C -3.000 174.692 177.584 0.180 0.000 1.051 158 A CA -0.847 51.317 52.037 0.211 0.000 0.690 158 A CB 3.735 22.801 19.000 0.110 0.000 1.281 158 A HN 0.100 8.372 8.150 0.204 0.000 0.402 159 Y N 3.024 123.265 120.300 -0.098 0.000 2.436 159 Y HA 0.137 4.315 4.550 -0.908 -0.173 0.336 159 Y C -1.121 174.642 175.900 -0.227 0.000 1.049 159 Y CA -0.141 57.679 58.100 -0.466 0.000 1.294 159 Y CB 0.158 38.400 38.460 -0.362 0.000 1.179 159 Y HN 0.358 8.801 8.280 0.272 0.000 0.520 160 L N 9.743 130.597 121.223 -0.615 0.000 2.490 160 L HA 0.356 4.516 4.340 -0.300 0.000 0.256 160 L C -2.730 173.827 176.870 -0.521 0.000 1.089 160 L CA -3.062 51.535 54.840 -0.404 0.000 0.916 160 L CB 2.397 44.357 42.059 -0.165 0.000 1.188 160 L HN 0.070 7.903 8.230 -0.661 0.000 0.476 161 P HA 0.380 4.711 4.420 -0.489 -0.204 0.274 161 P C -0.146 177.018 177.300 -0.227 0.000 1.231 161 P CA -1.348 61.484 63.100 -0.446 0.000 0.790 161 P CB 1.315 32.796 31.700 -0.365 0.000 0.951 162 T N -2.202 112.242 114.554 -0.183 0.000 2.900 162 T HA 0.167 4.622 4.350 -0.106 -0.169 0.307 162 T C 0.180 174.833 174.700 -0.078 0.000 1.065 162 T CA -0.517 61.511 62.100 -0.119 0.000 1.105 162 T CB 0.998 69.794 68.868 -0.119 0.000 0.979 162 T HN -0.141 7.981 8.240 -0.197 0.000 0.544 163 V N 3.446 123.331 119.914 -0.049 0.000 2.407 163 V HA 0.557 4.806 4.120 -0.087 -0.181 0.291 163 V C -0.795 175.261 176.094 -0.064 0.000 1.018 163 V CA -1.651 60.607 62.300 -0.070 0.000 0.842 163 V CB 2.315 34.100 31.823 -0.062 0.000 0.996 163 V HN -0.069 8.103 8.190 -0.031 0.000 0.426 164 D N 6.950 127.307 120.400 -0.073 0.000 2.363 164 D HA -0.052 4.592 4.640 0.007 0.000 0.240 164 D C 0.048 176.344 176.300 -0.007 0.000 1.236 164 D CA -1.205 52.782 54.000 -0.021 0.000 0.927 164 D CB 1.388 42.179 40.800 -0.015 0.000 1.150 164 D HN 0.103 8.733 8.370 -0.087 -0.313 0.458 165 Y N 1.504 121.773 120.300 -0.051 0.000 2.165 165 Y HA -0.562 3.971 4.550 -0.029 0.000 0.286 165 Y C 0.813 176.689 175.900 -0.040 0.000 1.155 165 Y CA 4.260 62.338 58.100 -0.036 0.000 1.164 165 Y CB 0.019 38.465 38.460 -0.024 0.000 0.978 165 Y HN 0.315 8.699 8.280 0.174 0.000 0.513 166 A N -1.914 120.852 122.820 -0.091 0.000 1.933 166 A HA -0.239 3.936 4.320 -0.241 0.000 0.218 166 A C 2.180 179.629 177.584 -0.225 0.000 1.175 166 A CA 2.687 54.623 52.037 -0.169 0.000 0.628 166 A CB -0.686 18.288 19.000 -0.043 0.000 0.814 166 A HN -0.031 8.197 8.150 0.049 -0.048 0.444 167 I N -3.206 117.222 120.570 -0.237 0.000 2.333 167 I HA -0.411 3.581 4.170 -0.297 0.000 0.246 167 I C 1.986 177.812 176.117 -0.485 0.000 1.106 167 I CA 3.424 64.506 61.300 -0.363 0.000 1.411 167 I CB 0.177 37.917 38.000 -0.432 0.000 1.082 167 I HN -0.299 8.106 8.210 -0.199 -0.315 0.420 168 c N -0.321 118.066 118.600 -0.355 0.000 2.422 168 c HA -0.271 4.184 4.570 -0.193 0.000 0.279 168 c C 0.975 175.052 174.090 -0.022 0.000 1.305 168 c CA 2.647 58.885 56.329 -0.152 0.000 1.757 168 c CB -1.152 41.347 42.510 -0.018 0.000 1.962 168 c HN -0.055 8.002 8.230 -0.289 0.000 0.499 169 S N 0.178 115.740 115.700 -0.231 0.000 3.697 169 S HA 0.221 4.819 4.470 -0.047 -0.156 0.207 169 S C 0.993 175.535 174.600 -0.097 0.000 1.459 169 S CA -0.613 57.458 58.200 -0.215 0.000 1.122 169 S CB -1.720 61.102 63.200 -0.629 0.000 1.311 169 S HN -0.309 7.748 8.310 -0.371 0.030 0.487 170 S N 2.794 118.533 115.700 0.065 0.000 2.435 170 S HA -0.500 3.927 4.470 -0.071 0.000 0.322 170 S C -0.185 174.325 174.600 -0.150 0.000 1.387 170 S CA 2.658 60.839 58.200 -0.032 0.000 1.240 170 S CB -0.563 62.635 63.200 -0.002 0.000 1.266 170 S HN 0.164 8.540 8.310 0.111 0.000 0.730 171 Y N -1.598 118.656 120.300 -0.077 0.000 2.854 171 Y HA 0.271 4.907 4.550 -0.185 -0.197 0.174 171 Y C 1.465 177.282 175.900 -0.139 0.000 0.895 171 Y CA 0.133 58.166 58.100 -0.112 0.000 1.392 171 Y CB 1.240 39.694 38.460 -0.010 0.000 1.071 171 Y HN -0.624 7.835 8.280 0.298 0.000 0.446 172 W N -3.339 118.066 121.300 0.175 0.000 3.177 172 W HA 0.035 4.753 4.660 0.097 0.000 0.309 172 W C -0.023 176.539 176.519 0.071 0.000 1.224 172 W CA 0.867 58.275 57.345 0.105 0.000 1.718 172 W CB 1.781 31.304 29.460 0.105 0.000 1.078 172 W HN 0.141 8.612 8.180 0.484 0.000 0.618 173 G N -1.421 107.526 108.800 0.245 0.000 2.582 173 G HA2 -0.525 3.612 3.960 0.092 0.000 0.288 173 G HA3 -0.525 3.519 3.960 0.139 0.000 0.288 173 G C 0.258 175.242 174.900 0.139 0.000 1.247 173 G CA 1.234 46.420 45.100 0.143 0.000 0.972 173 G HN -0.613 7.809 8.290 0.220 0.000 0.557 174 S N 0.730 116.501 115.700 0.118 0.000 2.631 174 S HA -0.023 4.506 4.470 0.097 0.000 0.217 174 S C 0.897 175.571 174.600 0.123 0.000 0.958 174 S CA 0.958 59.219 58.200 0.103 0.000 0.920 174 S CB -0.909 62.337 63.200 0.076 0.000 0.776 174 S HN 0.131 8.507 8.310 0.110 0.000 0.517 175 T N 2.870 117.530 114.554 0.177 0.000 2.746 175 T HA -0.316 4.101 4.350 0.111 0.000 0.267 175 T C 0.260 175.034 174.700 0.123 0.000 1.039 175 T CA 4.052 66.252 62.100 0.167 0.000 1.142 175 T CB 0.353 69.407 68.868 0.309 0.000 0.866 175 T HN -0.543 7.757 8.240 0.225 0.075 0.444 176 V N 1.251 121.244 119.914 0.131 0.000 2.583 176 V HA -0.175 3.979 4.120 0.055 0.000 0.287 176 V C -1.351 174.866 176.094 0.205 0.000 1.051 176 V CA 0.544 62.903 62.300 0.098 0.000 1.010 176 V CB 1.088 32.938 31.823 0.046 0.000 0.988 176 V HN -0.892 7.398 8.190 0.167 0.000 0.478 177 K N 5.565 126.068 120.400 0.171 0.000 2.211 177 K HA 0.186 4.640 4.320 0.223 0.000 0.237 177 K C -0.109 176.519 176.600 0.046 0.000 1.002 177 K CA -1.364 55.003 56.287 0.133 0.000 0.885 177 K CB 1.620 34.127 32.500 0.011 0.000 1.136 177 K HN -0.539 7.780 8.250 0.115 0.000 0.448 178 N N -0.324 118.238 118.700 -0.230 0.000 2.512 178 N HA -0.217 4.187 4.740 -0.561 0.000 0.183 178 N C -0.024 175.360 175.510 -0.211 0.000 1.073 178 N CA 2.284 55.063 53.050 -0.451 0.000 0.911 178 N CB -0.038 38.072 38.487 -0.628 0.000 0.964 178 N HN 0.357 8.601 8.380 -0.226 0.000 0.447 179 S N -5.419 110.191 115.700 -0.151 0.000 2.701 179 S HA -0.040 4.349 4.470 -0.134 0.000 0.220 179 S C -0.967 173.630 174.600 -0.004 0.000 0.954 179 S CA 0.147 58.277 58.200 -0.117 0.000 0.936 179 S CB -1.197 61.883 63.200 -0.200 0.000 0.777 179 S HN -0.037 8.155 8.310 -0.147 0.030 0.518 180 M N 0.235 119.840 119.600 0.008 0.000 2.662 180 M HA 0.672 5.340 4.480 0.070 -0.147 0.310 180 M C -1.313 175.025 176.300 0.063 0.000 1.204 180 M CA -0.393 54.935 55.300 0.046 0.000 0.891 180 M CB 5.088 37.700 32.600 0.020 0.000 1.732 180 M HN -0.697 7.495 8.290 -0.009 0.093 0.467 181 V N -0.458 119.513 119.914 0.094 0.000 2.513 181 V HA 0.235 4.397 4.120 0.071 0.000 0.299 181 V C -1.820 174.360 176.094 0.143 0.000 1.035 181 V CA -1.591 60.766 62.300 0.095 0.000 0.889 181 V CB 3.156 35.008 31.823 0.048 0.000 0.988 181 V HN 0.109 8.374 8.190 0.126 0.000 0.440 182 c N 5.975 124.635 118.600 0.099 0.000 2.341 182 c HA 0.636 5.415 4.570 0.143 -0.124 0.338 182 c C -1.111 173.054 174.090 0.125 0.000 1.257 182 c CA -1.086 55.321 56.329 0.130 0.000 1.883 182 c CB 0.167 42.744 42.510 0.111 0.000 2.334 182 c HN 0.670 8.942 8.230 0.070 0.000 0.524 183 A N 3.121 126.068 122.820 0.211 0.000 2.520 183 A HA 0.838 5.309 4.320 0.022 -0.137 0.298 183 A C -1.510 176.149 177.584 0.124 0.000 1.051 183 A CA -1.547 50.545 52.037 0.091 0.000 0.690 183 A CB 3.170 22.131 19.000 -0.065 0.000 1.281 183 A HN 0.205 8.546 8.150 0.317 0.000 0.402 184 G N 2.473 111.292 108.800 0.032 0.000 2.578 184 G HA2 -0.300 3.645 3.960 -0.025 0.000 0.232 184 G HA3 -0.300 3.692 3.960 0.054 0.000 0.232 184 G C -0.254 174.692 174.900 0.078 0.000 1.176 184 G CA -0.028 45.091 45.100 0.031 0.000 0.968 184 G HN 0.540 8.815 8.290 -0.027 0.000 0.583 185 G N 0.050 108.899 108.800 0.080 0.000 2.132 185 G HA2 -0.358 3.630 3.960 0.047 0.000 0.234 185 G HA3 -0.358 3.669 3.960 0.112 0.000 0.234 185 G C 0.069 174.984 174.900 0.025 0.000 0.989 185 G CA 0.443 45.584 45.100 0.067 0.000 0.676 185 G HN 0.408 8.743 8.290 0.074 0.000 0.522 186 D N -1.586 118.828 120.400 0.023 0.000 2.349 186 D HA -0.074 4.571 4.640 0.008 0.000 0.224 186 D C 0.646 176.945 176.300 -0.001 0.000 1.029 186 D CA -0.778 53.230 54.000 0.013 0.000 0.879 186 D CB -0.371 40.444 40.800 0.025 0.000 0.906 186 D HN -0.032 8.354 8.370 0.028 0.000 0.528 187 G N -0.788 108.008 108.800 -0.006 0.000 2.132 187 G HA2 -0.401 3.605 3.960 -0.021 0.000 0.228 187 G HA3 -0.401 3.548 3.960 -0.019 0.000 0.228 187 G C 0.181 175.084 174.900 0.004 0.000 1.000 187 G CA 0.049 45.142 45.100 -0.012 0.000 0.693 187 G HN -0.333 7.914 8.290 -0.002 0.042 0.515 188 R N -0.411 120.112 120.500 0.038 0.000 2.503 188 R HA -0.315 4.290 4.340 0.048 -0.236 0.271 188 R C 0.065 176.392 176.300 0.046 0.000 0.960 188 R CA 1.605 57.733 56.100 0.046 0.000 1.104 188 R CB 0.220 30.552 30.300 0.054 0.000 0.879 188 R HN -0.200 8.427 8.270 0.036 -0.335 0.420 189 S N 0.256 115.986 115.700 0.051 0.000 2.595 189 S HA 0.227 4.737 4.470 0.067 0.000 0.270 189 S C -1.188 173.444 174.600 0.054 0.000 1.145 189 S CA -0.502 57.731 58.200 0.055 0.000 0.825 189 S CB 3.627 66.855 63.200 0.047 0.000 1.107 189 S HN -0.320 8.021 8.310 0.052 0.000 0.461 190 G N -0.675 108.151 108.800 0.042 0.000 2.636 190 G HA2 0.314 4.437 3.960 0.044 0.000 0.246 190 G HA3 0.314 4.269 3.960 -0.009 0.000 0.246 190 G C -2.025 172.895 174.900 0.032 0.000 1.216 190 G CA -0.342 44.772 45.100 0.025 0.000 0.854 190 G HN -0.307 8.003 8.290 0.034 0.000 0.572 191 c N -0.523 118.108 118.600 0.051 0.000 3.314 191 c HA 0.197 4.804 4.570 0.062 0.000 0.344 191 c C -1.722 172.424 174.090 0.093 0.000 1.461 191 c CA -0.605 55.764 56.329 0.067 0.000 1.249 191 c CB 3.427 45.976 42.510 0.065 0.000 1.632 191 c HN 0.065 8.615 8.230 0.061 -0.284 0.452 192 Q N 1.490 121.351 119.800 0.102 0.000 2.263 192 Q HA -0.150 4.270 4.340 0.133 0.000 0.289 192 Q C 0.990 177.091 176.000 0.168 0.000 1.061 192 Q CA 2.338 58.217 55.803 0.127 0.000 0.927 192 Q CB 0.022 28.828 28.738 0.114 0.000 1.154 192 Q HN 0.722 9.046 8.270 0.090 0.000 0.378 193 G N 4.522 113.444 108.800 0.204 0.000 2.218 193 G HA2 -0.376 3.951 3.960 0.276 0.000 0.216 193 G HA3 -0.376 3.798 3.960 0.357 0.000 0.216 193 G C 0.277 175.393 174.900 0.359 0.000 0.994 193 G CA 0.628 45.913 45.100 0.308 0.000 0.637 193 G HN 0.680 9.083 8.290 0.189 0.000 0.505 194 D N 1.089 121.624 120.400 0.226 0.000 2.289 194 D HA 0.021 4.794 4.640 0.222 0.000 0.207 194 D C 0.069 176.451 176.300 0.137 0.000 0.966 194 D CA 1.520 55.627 54.000 0.179 0.000 0.868 194 D CB 0.429 41.292 40.800 0.106 0.000 0.943 194 D HN -0.030 8.390 8.370 0.182 0.060 0.514 195 S N -1.110 114.668 115.700 0.130 0.000 2.571 195 S HA -0.384 4.298 4.470 0.088 -0.160 0.298 195 S C 1.300 175.906 174.600 0.009 0.000 1.280 195 S CA 2.599 60.853 58.200 0.090 0.000 1.052 195 S CB -0.225 63.083 63.200 0.181 0.000 0.799 195 S HN -0.184 8.218 8.310 0.153 0.000 0.501 196 G N 4.455 113.226 108.800 -0.048 0.000 2.253 196 G HA2 -0.452 3.501 3.960 -0.085 0.000 0.251 196 G HA3 -0.452 3.574 3.960 -0.082 -0.115 0.251 196 G C -0.139 174.772 174.900 0.019 0.000 0.998 196 G CA 0.519 45.581 45.100 -0.063 0.000 0.621 196 G HN 0.516 8.777 8.290 -0.048 0.000 0.524 197 G N 0.939 109.776 108.800 0.062 0.000 2.621 197 G HA2 0.360 4.441 3.960 0.077 0.000 0.271 197 G HA3 0.360 4.367 3.960 0.078 0.000 0.271 197 G C -2.633 172.284 174.900 0.028 0.000 1.236 197 G CA -1.962 43.178 45.100 0.066 0.000 0.958 197 G HN -0.418 7.855 8.290 0.074 0.062 0.512 198 P HA 0.290 4.801 4.420 -0.151 -0.182 0.281 198 P C -1.886 175.213 177.300 -0.334 0.000 1.249 198 P CA -1.156 61.784 63.100 -0.266 0.000 0.810 198 P CB 1.698 33.051 31.700 -0.578 0.000 1.008 199 L N 2.054 123.069 121.223 -0.347 0.000 2.276 199 L HA 0.315 4.545 4.340 -0.389 -0.123 0.286 199 L C -1.743 174.936 176.870 -0.319 0.000 1.024 199 L CA -1.501 53.078 54.840 -0.436 0.000 0.826 199 L CB 1.975 43.542 42.059 -0.819 0.000 1.211 199 L HN -0.332 7.741 8.230 -0.262 0.000 0.422 200 H N 6.750 125.760 119.070 -0.101 0.000 2.552 200 H HA 0.428 5.249 4.556 0.167 -0.165 0.311 200 H C -0.963 174.528 175.328 0.271 0.000 1.071 200 H CA -1.094 55.013 56.048 0.099 0.000 1.307 200 H CB 0.548 30.285 29.762 -0.042 0.000 1.416 200 H HN 0.266 8.463 8.280 -0.139 0.000 0.464 201 c N 3.313 122.162 118.600 0.416 0.000 2.455 201 c HA 0.488 5.359 4.570 0.282 -0.131 0.320 201 c C -1.233 172.958 174.090 0.168 0.000 1.226 201 c CA -0.868 55.592 56.329 0.218 0.000 1.569 201 c CB 2.663 45.067 42.510 -0.176 0.000 2.200 201 c HN 0.753 9.231 8.230 0.414 0.000 0.491 202 L N 4.200 125.412 121.223 -0.020 0.000 2.283 202 L HA 0.373 4.573 4.340 -0.499 -0.160 0.287 202 L C -1.395 175.380 176.870 -0.158 0.000 1.073 202 L CA -0.477 54.168 54.840 -0.326 0.000 0.822 202 L CB -0.144 41.656 42.059 -0.431 0.000 1.186 202 L HN -0.053 8.215 8.230 0.065 0.000 0.436 203 V N 7.560 127.411 119.914 -0.106 0.000 2.525 203 V HA 0.124 4.205 4.120 -0.065 0.000 0.299 203 V C -0.843 175.232 176.094 -0.032 0.000 1.034 203 V CA -1.062 61.207 62.300 -0.050 0.000 0.863 203 V CB 2.854 34.682 31.823 0.009 0.000 0.999 203 V HN 0.561 8.690 8.190 -0.101 0.000 0.423 204 N N 7.882 126.561 118.700 -0.034 0.000 2.727 204 N HA -0.321 4.404 4.740 -0.024 0.000 0.249 204 N C 0.090 175.579 175.510 -0.035 0.000 1.048 204 N CA 0.816 53.852 53.050 -0.024 0.000 0.714 204 N CB -1.051 37.433 38.487 -0.005 0.000 0.959 204 N HN 0.840 9.197 8.380 -0.039 0.000 0.544 205 G N -6.489 102.272 108.800 -0.065 0.000 2.179 205 G HA2 -0.441 3.462 3.960 -0.096 0.000 0.260 205 G HA3 -0.441 3.489 3.960 -0.050 0.000 0.260 205 G C -1.489 173.356 174.900 -0.092 0.000 0.977 205 G CA 0.009 45.064 45.100 -0.076 0.000 0.641 205 G HN 0.070 8.313 8.290 -0.077 0.000 0.533 206 Q N -0.185 119.564 119.800 -0.086 0.000 2.356 206 Q HA 0.289 4.621 4.340 -0.014 0.000 0.270 206 Q C -1.554 174.420 176.000 -0.043 0.000 1.058 206 Q CA -1.790 53.996 55.803 -0.028 0.000 0.802 206 Q CB 3.153 31.909 28.738 0.031 0.000 1.303 206 Q HN -0.662 7.512 8.270 -0.073 0.053 0.444 207 Y N 4.952 125.332 120.300 0.134 0.000 2.377 207 Y HA 0.215 5.114 4.550 0.228 -0.212 0.330 207 Y C -0.475 175.561 175.900 0.226 0.000 1.108 207 Y CA 1.027 59.258 58.100 0.219 0.000 1.308 207 Y CB 0.553 39.188 38.460 0.291 0.000 1.216 207 Y HN 0.466 8.879 8.280 0.221 0.000 0.518 208 A N 2.378 125.452 122.820 0.424 0.000 2.413 208 A HA 0.558 5.130 4.320 0.277 -0.086 0.307 208 A C -2.393 175.405 177.584 0.357 0.000 1.087 208 A CA -2.124 50.109 52.037 0.327 0.000 0.750 208 A CB 4.241 23.389 19.000 0.247 0.000 1.296 208 A HN 0.347 8.757 8.150 0.432 0.000 0.423 209 V N 1.699 121.723 119.914 0.184 0.000 2.356 209 V HA 0.032 4.367 4.120 0.067 -0.175 0.258 209 V C 0.074 176.164 176.094 -0.007 0.000 1.065 209 V CA -0.024 62.319 62.300 0.071 0.000 0.935 209 V CB -0.328 31.507 31.823 0.019 0.000 1.061 209 V HN 0.199 8.469 8.190 0.134 0.000 0.484 210 H N 7.269 126.315 119.070 -0.040 0.000 2.595 210 H HA 0.138 4.692 4.556 -0.004 0.000 0.265 210 H C -0.247 175.042 175.328 -0.066 0.000 0.953 210 H CA 1.379 57.401 56.048 -0.044 0.000 1.197 210 H CB 1.767 31.493 29.762 -0.061 0.000 1.438 210 H HN 0.124 8.513 8.280 0.181 0.000 0.531 211 G N -3.866 104.918 108.800 -0.026 0.000 2.612 211 G HA2 0.548 4.755 3.960 0.076 0.000 0.298 211 G HA3 0.548 4.419 3.960 -0.148 0.000 0.298 211 G C -2.917 172.041 174.900 0.098 0.000 1.336 211 G CA -0.407 44.695 45.100 0.004 0.000 0.953 211 G HN -0.817 7.438 8.290 -0.059 0.000 0.482 212 V N 2.957 122.988 119.914 0.196 0.000 2.378 212 V HA 0.443 4.832 4.120 0.126 -0.194 0.288 212 V C -0.459 175.757 176.094 0.204 0.000 1.016 212 V CA -2.024 60.366 62.300 0.149 0.000 0.840 212 V CB 2.167 34.010 31.823 0.034 0.000 0.994 212 V HN -0.088 8.226 8.190 0.207 0.000 0.431 213 T N 8.469 123.131 114.554 0.181 0.000 2.867 213 T HA -0.217 3.813 4.350 -0.534 0.000 0.297 213 T C -0.859 173.783 174.700 -0.096 0.000 0.989 213 T CA 2.872 64.900 62.100 -0.121 0.000 1.159 213 T CB 0.337 69.172 68.868 -0.056 0.000 0.928 213 T HN 0.060 8.394 8.240 0.157 0.000 0.538 214 S N 7.641 123.225 115.700 -0.194 0.000 3.142 214 S HA 0.252 4.887 4.470 0.274 0.000 0.223 214 S C -0.965 173.727 174.600 0.153 0.000 0.939 214 S CA 0.079 58.335 58.200 0.094 0.000 0.826 214 S CB 2.279 65.561 63.200 0.137 0.000 0.823 214 S HN 0.103 8.152 8.310 -0.436 0.000 0.612 215 F N -3.011 116.824 119.950 -0.192 0.000 2.711 215 F HA 0.428 4.885 4.527 -0.116 0.000 0.313 215 F C -2.138 173.596 175.800 -0.110 0.000 1.141 215 F CA -1.342 56.568 58.000 -0.150 0.000 0.941 215 F CB 1.582 40.488 39.000 -0.157 0.000 1.349 215 F HN -0.540 7.499 8.300 -0.434 0.000 0.464 216 V N -4.204 115.853 119.914 0.238 0.000 6.568 216 V HA 0.468 4.733 4.120 0.242 0.000 0.285 216 V C -0.613 175.800 176.094 0.530 0.000 1.659 216 V CA -2.013 60.457 62.300 0.282 0.000 0.618 216 V CB 2.108 34.021 31.823 0.150 0.000 1.519 216 V HN -0.066 8.307 8.190 0.305 0.000 0.382 217 R N -1.653 118.931 120.500 0.140 0.000 2.308 217 R HA 0.117 4.509 4.340 0.087 0.000 0.202 217 R C 2.412 178.733 176.300 0.036 0.000 0.898 217 R CA 0.601 56.748 56.100 0.078 0.000 1.046 217 R CB 0.344 30.679 30.300 0.059 0.000 1.026 217 R HN 0.162 8.524 8.270 0.153 0.000 0.512 218 L N -0.952 120.278 121.223 0.011 0.000 2.529 218 L HA 0.040 4.376 4.340 -0.008 0.000 0.223 218 L C -0.138 176.732 176.870 -0.000 0.000 1.113 218 L CA -0.472 54.361 54.840 -0.011 0.000 0.861 218 L CB 0.299 42.330 42.059 -0.047 0.000 1.012 218 L HN -0.162 8.071 8.230 0.005 0.000 0.461 219 G N -3.947 104.865 108.800 0.021 0.000 2.361 219 G HA2 -0.022 3.959 3.960 0.034 0.000 0.305 219 G HA3 -0.022 3.948 3.960 0.016 0.000 0.305 219 G C -2.044 172.882 174.900 0.043 0.000 1.367 219 G CA -0.761 44.356 45.100 0.028 0.000 0.951 219 G HN -0.941 7.319 8.290 0.038 0.052 0.615 220 c N 1.244 119.870 118.600 0.044 0.000 2.511 220 c HA -0.153 4.456 4.570 0.065 0.000 0.300 220 c C -1.168 172.946 174.090 0.041 0.000 1.393 220 c CA 0.891 57.251 56.329 0.051 0.000 1.637 220 c CB -2.293 40.247 42.510 0.049 0.000 1.637 220 c HN -0.196 8.058 8.230 0.039 0.000 0.595 221 V N -4.058 115.844 119.914 -0.021 0.000 2.402 221 V HA -0.101 3.986 4.120 -0.056 0.000 0.262 221 V C -2.546 173.494 176.094 -0.090 0.000 1.828 221 V CA -0.436 61.826 62.300 -0.064 0.000 0.730 221 V CB 1.718 33.486 31.823 -0.091 0.000 1.288 221 V HN -0.755 7.427 8.190 -0.014 0.000 0.484 222 T N 8.284 122.777 114.554 -0.101 0.000 2.902 222 T HA -0.162 4.285 4.350 -0.091 -0.152 0.301 222 T C 0.424 174.993 174.700 -0.219 0.000 1.012 222 T CA 2.515 64.541 62.100 -0.123 0.000 1.151 222 T CB 0.204 69.007 68.868 -0.109 0.000 0.946 222 T HN 0.348 8.533 8.240 -0.090 0.000 0.542 223 R N -0.333 120.010 120.500 -0.261 0.000 3.951 223 R HA -0.522 3.487 4.340 -0.551 0.000 0.352 223 R C -1.639 174.401 176.300 -0.435 0.000 1.178 223 R CA 2.209 58.001 56.100 -0.513 0.000 0.949 223 R CB -1.860 27.969 30.300 -0.785 0.000 1.452 223 R HN 0.592 8.755 8.270 -0.178 0.000 0.540 224 K N -2.277 117.953 120.400 -0.285 0.000 2.762 224 K HA 0.539 4.410 4.320 -0.748 0.000 0.180 224 K C -2.261 174.394 176.600 0.091 0.000 1.067 224 K CA -3.393 52.670 56.287 -0.373 0.000 0.973 224 K CB 0.295 32.483 32.500 -0.521 0.000 1.290 224 K HN -0.713 7.350 8.250 -0.201 0.067 0.604 225 P HA -0.157 4.465 4.420 0.200 -0.082 0.268 225 P C 0.007 177.501 177.300 0.323 0.000 1.208 225 P CA -0.250 63.033 63.100 0.305 0.000 0.777 225 P CB 0.444 32.330 31.700 0.309 0.000 0.875 226 T N 1.765 116.402 114.554 0.138 0.000 2.940 226 T HA -0.189 4.097 4.350 -0.106 0.000 0.309 226 T C -0.471 174.055 174.700 -0.289 0.000 1.056 226 T CA 2.492 64.529 62.100 -0.105 0.000 1.137 226 T CB 0.763 69.537 68.868 -0.158 0.000 0.976 226 T HN -0.225 8.108 8.240 0.155 0.000 0.547 227 V N 4.045 123.527 119.914 -0.720 0.000 2.459 227 V HA 0.517 4.567 4.120 -0.396 -0.168 0.295 227 V C -1.398 174.209 176.094 -0.811 0.000 1.029 227 V CA -1.267 60.551 62.300 -0.803 0.000 0.874 227 V CB 1.893 32.790 31.823 -1.542 0.000 0.985 227 V HN -0.150 7.546 8.190 -0.823 0.000 0.438 228 F N 5.270 125.075 119.950 -0.243 0.000 2.546 228 F HA 0.595 5.196 4.527 -0.099 -0.133 0.320 228 F C 0.130 175.890 175.800 -0.067 0.000 1.076 228 F CA -2.029 55.901 58.000 -0.116 0.000 0.928 228 F CB 4.285 43.239 39.000 -0.077 0.000 1.189 228 F HN 0.566 8.899 8.300 0.055 0.000 0.465 229 T N 4.292 118.929 114.554 0.139 0.000 2.888 229 T HA -0.135 4.275 4.350 0.100 0.000 0.301 229 T C -0.494 174.299 174.700 0.154 0.000 1.001 229 T CA 1.685 63.849 62.100 0.105 0.000 1.147 229 T CB 0.499 69.363 68.868 -0.007 0.000 0.931 229 T HN 0.156 8.452 8.240 0.092 0.000 0.541 230 R N 8.192 128.794 120.500 0.171 0.000 2.291 230 R HA -0.010 4.530 4.340 0.118 -0.129 0.333 230 R C 1.300 177.722 176.300 0.202 0.000 1.082 230 R CA -0.220 55.966 56.100 0.144 0.000 0.948 230 R CB -0.070 30.277 30.300 0.078 0.000 1.009 230 R HN -0.013 8.351 8.270 0.157 0.000 0.460 231 V N 8.452 128.452 119.914 0.143 0.000 2.380 231 V HA -0.508 3.753 4.120 0.235 0.000 0.251 231 V C 1.107 177.278 176.094 0.129 0.000 1.063 231 V CA 4.438 66.829 62.300 0.152 0.000 1.055 231 V CB -0.152 31.696 31.823 0.040 0.000 0.657 231 V HN -0.091 8.158 8.190 0.099 0.000 0.455 232 S N -3.249 112.467 115.700 0.026 0.000 2.547 232 S HA -0.182 4.278 4.470 -0.016 0.000 0.235 232 S C 1.154 175.735 174.600 -0.031 0.000 0.980 232 S CA 2.002 60.192 58.200 -0.016 0.000 0.941 232 S CB -1.281 61.894 63.200 -0.042 0.000 0.763 232 S HN 0.344 8.650 8.310 -0.006 0.000 0.532 233 A N 1.777 124.552 122.820 -0.075 0.000 2.218 233 A HA 0.030 4.217 4.320 -0.221 0.000 0.209 233 A C 0.315 177.614 177.584 -0.475 0.000 1.168 233 A CA 1.728 53.578 52.037 -0.312 0.000 0.804 233 A CB 0.275 18.972 19.000 -0.504 0.000 0.834 233 A HN -0.417 7.683 8.150 -0.011 0.043 0.482 234 Y N -6.126 114.222 120.300 0.080 0.000 2.641 234 Y HA 0.265 4.952 4.550 0.228 0.000 0.248 234 Y C -0.290 175.736 175.900 0.211 0.000 1.170 234 Y CA -1.027 57.188 58.100 0.191 0.000 1.201 234 Y CB 0.783 39.375 38.460 0.219 0.000 1.232 234 Y HN -0.518 7.685 8.280 0.138 0.160 0.537 235 I N -0.312 120.367 120.570 0.182 0.000 2.252 235 I HA -0.482 3.763 4.170 0.125 0.000 0.245 235 I C 1.217 177.391 176.117 0.094 0.000 1.102 235 I CA 2.903 64.271 61.300 0.113 0.000 1.385 235 I CB -0.783 37.241 38.000 0.040 0.000 1.064 235 I HN -0.216 8.056 8.210 0.103 0.000 0.414 236 S N -0.826 114.934 115.700 0.101 0.000 2.368 236 S HA -0.264 4.220 4.470 0.023 0.000 0.225 236 S C 1.790 176.449 174.600 0.099 0.000 1.030 236 S CA 3.059 61.302 58.200 0.072 0.000 0.999 236 S CB -0.806 62.435 63.200 0.068 0.000 0.844 236 S HN 0.165 8.532 8.310 0.095 0.000 0.459 237 W N 3.558 124.890 121.300 0.054 0.000 2.355 237 W HA -0.294 4.371 4.660 0.009 0.000 0.309 237 W C 1.234 177.748 176.519 -0.008 0.000 1.206 237 W CA 2.774 60.153 57.345 0.056 0.000 1.284 237 W CB 0.003 29.598 29.460 0.226 0.000 1.145 237 W HN -0.555 7.885 8.180 0.434 0.000 0.502 238 I N -1.428 119.107 120.570 -0.059 0.000 2.118 238 I HA -0.811 3.005 4.170 -0.590 0.000 0.241 238 I C 1.924 177.793 176.117 -0.414 0.000 1.070 238 I CA 4.582 65.690 61.300 -0.321 0.000 1.327 238 I CB -0.498 37.469 38.000 -0.055 0.000 1.034 238 I HN -0.015 8.347 8.210 0.255 0.000 0.405 239 N N -0.966 117.589 118.700 -0.242 0.000 2.188 239 N HA -0.280 4.305 4.740 -0.259 0.000 0.184 239 N C 2.450 177.796 175.510 -0.275 0.000 1.018 239 N CA 2.948 55.857 53.050 -0.236 0.000 0.858 239 N CB -0.679 37.730 38.487 -0.130 0.000 0.989 239 N HN -0.307 7.987 8.380 -0.142 0.000 0.426 240 N N 1.007 119.543 118.700 -0.274 0.000 2.142 240 N HA -0.208 4.417 4.740 -0.192 0.000 0.186 240 N C 2.346 177.641 175.510 -0.359 0.000 1.023 240 N CA 3.003 55.898 53.050 -0.257 0.000 0.852 240 N CB -0.142 38.228 38.487 -0.195 0.000 0.998 240 N HN -0.196 8.023 8.380 -0.251 0.011 0.424 241 V N 0.518 120.081 119.914 -0.585 0.000 2.307 241 V HA -0.430 3.425 4.120 -0.440 0.000 0.245 241 V C 2.170 177.925 176.094 -0.565 0.000 1.045 241 V CA 4.202 66.138 62.300 -0.607 0.000 1.024 241 V CB 0.036 31.303 31.823 -0.926 0.000 0.651 241 V HN -0.321 7.434 8.190 -0.725 0.000 0.449 242 I N -0.293 119.825 120.570 -0.754 0.000 2.208 242 I HA -0.492 2.994 4.170 -1.139 0.000 0.245 242 I C 1.887 177.823 176.117 -0.301 0.000 1.097 242 I CA 3.777 64.604 61.300 -0.789 0.000 1.363 242 I CB -0.256 37.236 38.000 -0.848 0.000 1.051 242 I HN -0.531 7.230 8.210 -0.748 0.000 0.413 243 A N -1.519 121.155 122.820 -0.244 0.000 2.015 243 A HA -0.206 4.062 4.320 -0.086 0.000 0.219 243 A C 0.498 178.038 177.584 -0.074 0.000 1.163 243 A CA 2.671 54.635 52.037 -0.122 0.000 0.646 243 A CB -0.358 18.573 19.000 -0.117 0.000 0.806 243 A HN -0.183 7.795 8.150 -0.287 0.000 0.448 244 S N -3.287 112.358 115.700 -0.092 0.000 2.556 244 S HA 0.126 4.578 4.470 -0.030 0.000 0.216 244 S C -0.477 174.133 174.600 0.017 0.000 0.970 244 S CA 0.175 58.349 58.200 -0.042 0.000 0.912 244 S CB 0.005 63.166 63.200 -0.064 0.000 0.790 244 S HN -0.081 8.016 8.310 -0.147 0.125 0.504 245 N N 0.000 118.747 118.700 0.078 0.000 1.763 245 N HA 0.000 4.822 4.740 0.137 0.000 0.220 245 N CA 0.000 53.175 53.050 0.208 0.000 0.885 245 N CB 0.000 38.716 38.487 0.382 0.000 1.341 245 N HN 0.000 8.355 8.380 0.054 0.057 0.667