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 1qnj_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 4.147 4.120 0.045 0.000 0.244 16 V C 0.000 176.119 176.094 0.041 0.000 1.182 16 V CA 0.000 62.322 62.300 0.036 0.000 1.235 16 V CB 0.000 31.829 31.823 0.011 0.000 1.184 17 V N 5.950 125.893 119.914 0.047 0.000 2.498 17 V HA 0.082 4.397 4.120 0.044 -0.169 0.279 17 V C 0.918 177.042 176.094 0.050 0.000 1.048 17 V CA -1.157 61.171 62.300 0.046 0.000 0.967 17 V CB -0.022 31.828 31.823 0.045 0.000 0.988 17 V HN 0.492 8.712 8.190 0.050 0.000 0.473 18 G N 6.740 115.570 108.800 0.049 0.000 2.160 18 G HA2 -0.397 3.726 3.960 0.057 0.000 0.251 18 G HA3 -0.397 3.594 3.960 0.052 0.000 0.251 18 G C -1.047 173.895 174.900 0.070 0.000 1.008 18 G CA 0.436 45.570 45.100 0.056 0.000 0.724 18 G HN 0.723 9.040 8.290 0.045 0.000 0.514 19 G N -1.607 107.232 108.800 0.065 0.000 2.543 19 G HA2 0.550 4.560 3.960 0.062 0.000 0.290 19 G HA3 0.550 4.648 3.960 0.105 -0.075 0.290 19 G C -1.360 173.584 174.900 0.073 0.000 1.310 19 G CA -1.137 44.010 45.100 0.077 0.000 1.025 19 G HN -0.536 7.752 8.290 0.053 0.035 0.502 20 T N -3.814 110.789 114.554 0.083 0.000 2.916 20 T HA 0.241 4.627 4.350 0.060 0.000 0.292 20 T C -1.537 173.197 174.700 0.057 0.000 1.055 20 T CA -1.912 60.231 62.100 0.071 0.000 1.009 20 T CB 2.931 71.851 68.868 0.087 0.000 1.118 20 T HN 0.276 8.576 8.240 0.100 0.000 0.497 21 E N 3.506 123.738 120.200 0.054 0.000 2.366 21 E HA -0.217 4.286 4.350 0.030 -0.135 0.266 21 E C -0.198 176.458 176.600 0.093 0.000 1.015 21 E CA -0.068 56.370 56.400 0.062 0.000 0.906 21 E CB 0.632 30.384 29.700 0.085 0.000 0.979 21 E HN 0.235 8.628 8.360 0.054 0.000 0.443 22 A N 7.323 130.215 122.820 0.120 0.000 2.445 22 A HA -0.089 4.444 4.320 0.129 -0.135 0.242 22 A C -0.538 177.134 177.584 0.146 0.000 1.075 22 A CA 0.342 52.477 52.037 0.165 0.000 0.777 22 A CB 0.939 20.104 19.000 0.275 0.000 1.013 22 A HN 0.059 8.255 8.150 0.078 0.000 0.493 23 Q N 1.308 121.101 119.800 -0.012 0.000 2.395 23 Q HA -0.165 4.127 4.340 -0.080 0.000 0.271 23 Q C 1.632 177.565 176.000 -0.112 0.000 1.026 23 Q CA 0.200 55.948 55.803 -0.093 0.000 0.900 23 Q CB 0.900 29.541 28.738 -0.162 0.000 1.266 23 Q HN 0.330 8.565 8.270 -0.058 0.000 0.430 24 R N 3.491 123.863 120.500 -0.214 0.000 2.159 24 R HA -0.360 3.794 4.340 -0.309 0.000 0.237 24 R C -0.492 175.829 176.300 0.035 0.000 1.131 24 R CA 3.226 59.210 56.100 -0.192 0.000 0.982 24 R CB -0.071 30.123 30.300 -0.176 0.000 0.868 24 R HN 0.668 8.800 8.270 -0.231 0.000 0.453 25 N N -6.944 111.704 118.700 -0.087 0.000 2.234 25 N HA 0.074 4.749 4.740 -0.108 0.000 0.227 25 N C 0.020 175.350 175.510 -0.300 0.000 1.151 25 N CA -0.485 52.457 53.050 -0.179 0.000 0.865 25 N CB -0.914 37.392 38.487 -0.302 0.000 1.066 25 N HN -0.308 7.956 8.380 -0.132 0.038 0.515 26 S N -0.092 115.355 115.700 -0.422 0.000 2.387 26 S HA -0.124 3.865 4.470 -0.803 0.000 0.226 26 S C 0.446 174.414 174.600 -1.054 0.000 1.026 26 S CA 2.732 60.391 58.200 -0.903 0.000 0.972 26 S CB 0.654 63.065 63.200 -1.315 0.000 0.814 26 S HN -0.434 7.680 8.310 -0.327 0.000 0.477 27 W N -2.053 119.130 121.300 -0.195 0.000 1.950 27 W HA 0.512 5.001 4.660 -0.284 0.000 0.289 27 W C -1.739 174.756 176.519 -0.040 0.000 0.883 27 W CA -2.777 54.443 57.345 -0.209 0.000 2.031 27 W CB -0.575 28.720 29.460 -0.276 0.000 2.266 27 W HN -0.174 7.872 8.180 -0.224 0.000 0.400 28 P HA -0.020 4.577 4.420 0.146 -0.089 0.234 28 P C -0.082 177.313 177.300 0.159 0.000 1.167 28 P CA 1.278 64.449 63.100 0.118 0.000 0.763 28 P CB 0.149 31.863 31.700 0.024 0.000 0.835 29 S N -2.635 113.186 115.700 0.201 0.000 2.558 29 S HA 0.114 4.830 4.470 0.159 -0.150 0.217 29 S C -0.105 174.625 174.600 0.216 0.000 0.975 29 S CA 0.110 58.428 58.200 0.197 0.000 0.912 29 S CB -0.004 63.319 63.200 0.206 0.000 0.776 29 S HN -0.178 8.217 8.310 0.229 0.052 0.526 30 Q N 3.252 123.208 119.800 0.260 0.000 2.337 30 Q HA 0.118 4.747 4.340 0.220 -0.157 0.270 30 Q C -0.080 176.090 176.000 0.284 0.000 1.002 30 Q CA 0.535 56.488 55.803 0.250 0.000 0.888 30 Q CB 0.900 29.765 28.738 0.213 0.000 1.222 30 Q HN -0.789 7.612 8.270 0.287 0.042 0.400 31 I N 0.167 120.908 120.570 0.285 0.000 2.957 31 I HA 0.746 5.173 4.170 0.264 -0.098 0.310 31 I C -1.876 174.460 176.117 0.365 0.000 1.063 31 I CA -2.525 58.932 61.300 0.261 0.000 1.033 31 I CB 3.906 41.988 38.000 0.137 0.000 1.230 31 I HN 0.061 8.424 8.210 0.256 0.000 0.447 32 S N 0.578 116.385 115.700 0.177 0.000 2.433 32 S HA 0.335 4.977 4.470 0.286 0.000 0.310 32 S C -1.293 173.310 174.600 0.005 0.000 1.097 32 S CA -1.722 56.526 58.200 0.080 0.000 1.103 32 S CB 1.470 64.489 63.200 -0.302 0.000 0.992 32 S HN -0.077 8.285 8.310 0.085 0.000 0.469 33 L N 8.786 129.998 121.223 -0.019 0.000 2.264 33 L HA 0.652 5.129 4.340 -0.019 -0.148 0.289 33 L C -2.079 174.749 176.870 -0.069 0.000 1.044 33 L CA -0.889 53.927 54.840 -0.039 0.000 0.807 33 L CB 2.197 44.240 42.059 -0.027 0.000 1.192 33 L HN 0.592 8.816 8.230 -0.010 0.000 0.425 34 Q N 4.432 124.245 119.800 0.023 0.000 2.433 34 Q HA 0.875 5.409 4.340 0.051 -0.164 0.279 34 Q C -0.595 175.607 176.000 0.338 0.000 1.105 34 Q CA -1.960 53.910 55.803 0.111 0.000 0.815 34 Q CB 4.164 32.957 28.738 0.091 0.000 1.403 34 Q HN 0.303 8.587 8.270 0.025 0.000 0.435 35 Y N -0.204 120.264 120.300 0.280 0.000 2.915 35 Y HA 0.983 5.944 4.550 0.337 -0.209 0.244 35 Y C 1.017 176.978 175.900 0.101 0.000 1.600 35 Y CA -3.028 55.218 58.100 0.244 0.000 1.161 35 Y CB 0.990 39.501 38.460 0.085 0.000 1.151 35 Y HN 0.527 8.818 8.280 0.018 0.000 0.603 36 S N 1.357 116.967 115.700 -0.150 0.000 2.723 36 S HA -0.263 4.106 4.470 -0.168 0.000 0.255 36 S C 0.527 175.023 174.600 -0.174 0.000 0.981 36 S CA 1.349 59.460 58.200 -0.147 0.000 0.986 36 S CB -0.406 62.743 63.200 -0.084 0.000 0.770 36 S HN -0.149 8.089 8.310 -0.119 0.000 0.546 37 S N -0.374 115.180 115.700 -0.243 0.000 2.745 37 S HA 0.103 4.501 4.470 -0.120 0.000 0.306 37 S C -1.955 172.380 174.600 -0.441 0.000 1.137 37 S CA -0.600 57.473 58.200 -0.211 0.000 0.900 37 S CB 1.356 64.491 63.200 -0.108 0.000 1.176 37 S HN -0.564 7.591 8.310 -0.258 0.000 0.520 38 W N -0.827 120.391 121.300 -0.137 0.000 2.736 38 W HA 0.102 4.803 4.660 -0.204 -0.163 0.335 38 W C -0.801 175.568 176.519 -0.250 0.000 1.059 38 W CA -0.971 56.264 57.345 -0.182 0.000 1.226 38 W CB 1.884 31.268 29.460 -0.127 0.000 1.416 38 W HN -0.078 8.158 8.180 0.093 0.000 0.505 39 A N 3.599 126.295 122.820 -0.207 0.000 2.330 39 A HA 0.433 4.669 4.320 -0.140 0.000 0.313 39 A C -2.302 175.169 177.584 -0.187 0.000 1.124 39 A CA -1.549 50.303 52.037 -0.308 0.000 0.774 39 A CB 2.880 21.480 19.000 -0.668 0.000 1.198 39 A HN 0.659 8.630 8.150 -0.298 0.000 0.465 40 H N 5.020 124.025 119.070 -0.110 0.000 2.928 40 H HA -0.187 4.463 4.556 -0.040 -0.117 0.338 40 H C -0.188 175.181 175.328 0.069 0.000 1.047 40 H CA 1.767 57.788 56.048 -0.045 0.000 1.435 40 H CB 0.221 29.922 29.762 -0.102 0.000 1.428 40 H HN 0.663 8.985 8.280 0.071 0.000 0.590 41 T N 5.680 120.013 114.554 -0.367 0.000 2.980 41 T HA 0.241 4.637 4.350 0.076 0.000 0.252 41 T C -1.023 173.549 174.700 -0.213 0.000 0.962 41 T CA 0.323 62.373 62.100 -0.085 0.000 0.932 41 T CB 1.937 70.939 68.868 0.224 0.000 1.188 41 T HN 0.281 8.219 8.240 -0.504 0.000 0.500 42 c N -1.856 116.464 118.600 -0.466 0.000 3.321 42 c HA 0.267 4.987 4.570 -0.013 -0.157 0.329 42 c C -1.577 172.496 174.090 -0.028 0.000 1.394 42 c CA -0.405 55.837 56.329 -0.145 0.000 1.291 42 c CB 4.017 46.471 42.510 -0.092 0.000 1.606 42 c HN -0.625 7.177 8.230 -0.715 0.000 0.463 43 G N -0.986 107.904 108.800 0.151 0.000 2.537 43 G HA2 0.701 4.812 3.960 0.252 0.000 0.297 43 G HA3 0.701 5.017 3.960 0.346 -0.149 0.297 43 G C -2.330 172.638 174.900 0.113 0.000 1.310 43 G CA -1.379 43.860 45.100 0.232 0.000 1.027 43 G HN 0.451 8.820 8.290 0.132 0.000 0.505 44 G N -4.112 104.769 108.800 0.135 0.000 2.559 44 G HA2 0.495 4.505 3.960 0.084 0.000 0.291 44 G HA3 0.495 4.791 3.960 0.061 -0.300 0.291 44 G C -2.534 172.430 174.900 0.107 0.000 1.424 44 G CA 0.309 45.463 45.100 0.090 0.000 0.786 44 G HN -0.646 7.756 8.290 0.187 0.000 0.485 45 T N 1.557 116.165 114.554 0.091 0.000 2.840 45 T HA 0.586 5.204 4.350 0.122 -0.194 0.287 45 T C -1.478 173.288 174.700 0.111 0.000 0.991 45 T CA -0.532 61.629 62.100 0.102 0.000 0.964 45 T CB 2.961 71.872 68.868 0.072 0.000 0.954 45 T HN 0.378 8.667 8.240 0.081 0.000 0.438 46 L N 8.570 129.865 121.223 0.121 0.000 2.433 46 L HA -0.019 4.392 4.340 0.119 0.000 0.275 46 L C -0.921 176.018 176.870 0.116 0.000 1.128 46 L CA 0.467 55.377 54.840 0.116 0.000 0.875 46 L CB 0.448 42.570 42.059 0.106 0.000 1.171 46 L HN 0.420 8.729 8.230 0.131 0.000 0.463 47 I N 0.978 121.625 120.570 0.128 0.000 4.323 47 I HA 0.423 4.648 4.170 0.092 0.000 0.328 47 I C -0.653 175.530 176.117 0.110 0.000 1.310 47 I CA -0.149 61.214 61.300 0.105 0.000 1.186 47 I CB 2.087 40.133 38.000 0.078 0.000 1.130 47 I HN 0.389 8.691 8.210 0.153 0.000 0.411 48 R N -0.969 119.632 120.500 0.168 0.000 2.817 48 R HA 0.268 4.681 4.340 0.121 0.000 0.268 48 R C 0.672 177.058 176.300 0.143 0.000 1.027 48 R CA -2.748 53.454 56.100 0.169 0.000 0.928 48 R CB 2.078 32.546 30.300 0.279 0.000 1.228 48 R HN -0.673 7.719 8.270 0.204 0.000 0.469 49 Q N 1.019 120.881 119.800 0.102 0.000 2.364 49 Q HA -0.288 4.085 4.340 0.055 0.000 0.209 49 Q C 0.264 176.281 176.000 0.028 0.000 0.977 49 Q CA 3.120 58.958 55.803 0.059 0.000 0.885 49 Q CB 0.099 28.861 28.738 0.040 0.000 0.941 49 Q HN 0.573 8.904 8.270 0.101 0.000 0.464 50 N N -4.843 113.874 118.700 0.028 0.000 2.299 50 N HA 0.102 4.771 4.740 -0.117 0.000 0.246 50 N C -1.885 173.471 175.510 -0.257 0.000 1.254 50 N CA -1.272 51.700 53.050 -0.129 0.000 0.879 50 N CB -0.093 38.273 38.487 -0.201 0.000 1.214 50 N HN 0.023 8.418 8.380 0.099 0.044 0.510 51 W N -2.141 119.156 121.300 -0.004 0.000 2.998 51 W HA 0.610 5.485 4.660 -0.008 -0.220 0.335 51 W C -1.803 174.719 176.519 0.006 0.000 1.110 51 W CA -0.713 56.629 57.345 -0.007 0.000 1.230 51 W CB 3.926 33.374 29.460 -0.020 0.000 1.405 51 W HN -0.337 7.850 8.180 0.202 0.115 0.493 52 V N 2.244 122.317 119.914 0.265 0.000 2.555 52 V HA 0.620 5.003 4.120 0.162 -0.165 0.302 52 V C -1.755 174.450 176.094 0.185 0.000 1.038 52 V CA -1.743 60.663 62.300 0.177 0.000 0.887 52 V CB 4.079 35.965 31.823 0.106 0.000 0.991 52 V HN 0.777 9.126 8.190 0.265 0.000 0.434 53 M N 8.358 128.039 119.600 0.136 0.000 2.157 53 M HA 0.596 5.307 4.480 0.134 -0.151 0.354 53 M C -1.693 174.646 176.300 0.066 0.000 1.170 53 M CA -0.465 54.901 55.300 0.109 0.000 1.060 53 M CB 2.370 35.024 32.600 0.091 0.000 1.615 53 M HN 0.653 9.018 8.290 0.125 0.000 0.460 54 T N 6.296 120.871 114.554 0.036 0.000 2.654 54 T HA 0.564 5.104 4.350 -0.022 -0.203 0.289 54 T C -2.193 172.443 174.700 -0.108 0.000 1.062 54 T CA -2.463 59.620 62.100 -0.029 0.000 1.041 54 T CB 3.142 71.993 68.868 -0.029 0.000 1.417 54 T HN 0.358 8.631 8.240 0.055 0.000 0.510 55 A N -0.625 122.071 122.820 -0.207 0.000 2.331 55 A HA 0.230 4.525 4.320 -0.310 -0.161 0.283 55 A C 0.639 177.956 177.584 -0.445 0.000 1.142 55 A CA -0.834 50.993 52.037 -0.349 0.000 0.812 55 A CB 0.826 19.542 19.000 -0.475 0.000 1.074 55 A HN 0.367 8.396 8.150 -0.201 0.000 0.497 56 A N 5.113 127.577 122.820 -0.594 0.000 1.917 56 A HA -0.292 3.752 4.320 -0.460 0.000 0.219 56 A C 1.830 179.000 177.584 -0.690 0.000 1.182 56 A CA 3.143 54.723 52.037 -0.760 0.000 0.633 56 A CB -0.699 17.457 19.000 -1.405 0.000 0.819 56 A HN 0.666 8.475 8.150 -0.604 -0.021 0.448 57 H N -4.090 114.556 119.070 -0.707 0.000 2.491 57 H HA -0.145 4.584 4.556 0.011 -0.166 0.290 57 H C 2.090 177.382 175.328 -0.060 0.000 1.050 57 H CA 2.425 58.366 56.048 -0.178 0.000 1.309 57 H CB -0.911 28.869 29.762 0.030 0.000 1.392 57 H HN -0.053 8.059 8.280 -0.797 -0.309 0.554 58 c N -0.916 117.413 118.600 -0.451 0.000 2.419 58 c HA -0.176 4.290 4.570 -0.174 0.000 0.283 58 c C 0.526 174.563 174.090 -0.089 0.000 1.373 58 c CA 2.694 58.872 56.329 -0.252 0.000 1.781 58 c CB -1.371 40.970 42.510 -0.283 0.000 1.886 58 c HN -0.414 7.385 8.230 -0.661 0.034 0.520 59 V N -7.172 112.695 119.914 -0.077 0.000 3.085 59 V HA 0.262 4.379 4.120 -0.005 0.000 0.345 59 V C -0.740 175.377 176.094 0.039 0.000 1.397 59 V CA -1.764 60.528 62.300 -0.013 0.000 1.165 59 V CB -0.299 31.520 31.823 -0.007 0.000 1.153 59 V HN -0.651 7.416 8.190 -0.127 0.047 0.495 60 D N 2.082 122.531 120.400 0.082 0.000 2.117 60 D HA -0.181 4.568 4.640 0.182 0.000 0.197 60 D C 0.504 176.851 176.300 0.080 0.000 0.987 60 D CA 2.513 56.600 54.000 0.147 0.000 0.829 60 D CB 0.145 41.079 40.800 0.224 0.000 0.961 60 D HN -0.481 7.771 8.370 0.074 0.163 0.460 61 R N -0.394 120.125 120.500 0.031 0.000 2.539 61 R HA 0.077 4.419 4.340 0.004 0.000 0.275 61 R C 0.079 176.375 176.300 -0.007 0.000 1.077 61 R CA 0.035 56.129 56.100 -0.010 0.000 1.097 61 R CB 0.915 31.167 30.300 -0.080 0.000 1.018 61 R HN -0.287 7.997 8.270 0.024 0.000 0.483 62 E N 2.570 122.766 120.200 -0.007 0.000 2.594 62 E HA -0.020 4.342 4.350 0.019 0.000 0.300 62 E C -1.094 175.506 176.600 -0.001 0.000 1.568 62 E CA -0.114 56.289 56.400 0.006 0.000 1.811 62 E CB -1.883 27.822 29.700 0.009 0.000 1.458 62 E HN 0.379 8.732 8.360 -0.013 0.000 0.470 63 L N -0.248 120.974 121.223 -0.002 0.000 2.387 63 L HA 0.272 4.614 4.340 0.004 0.000 0.266 63 L C 0.753 177.663 176.870 0.068 0.000 1.059 63 L CA -0.783 54.066 54.840 0.014 0.000 0.801 63 L CB 1.018 43.061 42.059 -0.027 0.000 1.223 63 L HN -0.664 7.488 8.230 -0.002 0.077 0.456 64 T N 1.727 116.337 114.554 0.094 0.000 2.847 64 T HA 0.100 4.528 4.350 0.131 0.000 0.279 64 T C -0.901 173.971 174.700 0.286 0.000 0.984 64 T CA 0.993 63.181 62.100 0.147 0.000 0.988 64 T CB 0.869 69.793 68.868 0.093 0.000 1.040 64 T HN 0.040 8.323 8.240 0.073 0.000 0.528 65 R N -1.047 119.512 120.500 0.097 0.000 2.825 65 R HA 0.331 4.703 4.340 -0.088 -0.084 0.274 65 R C -3.009 173.223 176.300 -0.114 0.000 1.026 65 R CA -0.110 55.903 56.100 -0.145 0.000 0.867 65 R CB 2.696 32.635 30.300 -0.602 0.000 1.268 65 R HN 0.703 9.071 8.270 0.163 0.000 0.491 66 V N 1.164 121.008 119.914 -0.116 0.000 2.513 66 V HA 0.745 4.996 4.120 -0.067 -0.171 0.299 66 V C -1.692 174.324 176.094 -0.129 0.000 1.035 66 V CA -2.023 60.226 62.300 -0.086 0.000 0.889 66 V CB 2.914 34.709 31.823 -0.046 0.000 0.988 66 V HN 0.488 8.605 8.190 -0.121 0.000 0.440 67 V N 6.797 126.630 119.914 -0.135 0.000 2.409 67 V HA 0.602 4.724 4.120 -0.311 -0.189 0.291 67 V C -0.521 175.490 176.094 -0.139 0.000 1.020 67 V CA -2.078 60.082 62.300 -0.234 0.000 0.848 67 V CB 0.896 32.541 31.823 -0.296 0.000 0.990 67 V HN 0.498 8.628 8.190 -0.101 0.000 0.430 68 V N 1.770 121.596 119.914 -0.147 0.000 2.834 68 V HA 0.479 4.618 4.120 0.032 0.000 0.313 68 V C 0.654 176.715 176.094 -0.055 0.000 1.060 68 V CA -3.134 59.143 62.300 -0.038 0.000 0.989 68 V CB 1.447 33.263 31.823 -0.011 0.000 1.041 68 V HN 0.159 8.223 8.190 -0.211 0.000 0.459 69 G N 1.328 110.164 108.800 0.060 0.000 2.179 69 G HA2 -0.546 3.596 3.960 0.005 0.000 0.257 69 G HA3 -0.546 3.637 3.960 0.157 -0.129 0.257 69 G C -1.529 173.391 174.900 0.033 0.000 1.010 69 G CA 0.827 45.965 45.100 0.063 0.000 0.736 69 G HN 0.583 8.941 8.290 0.113 0.000 0.513 70 E N -1.061 119.204 120.200 0.109 0.000 2.249 70 E HA 0.036 4.408 4.350 0.037 0.000 0.280 70 E C -1.262 175.598 176.600 0.434 0.000 1.016 70 E CA -0.949 55.532 56.400 0.136 0.000 0.830 70 E CB 1.287 30.965 29.700 -0.036 0.000 1.081 70 E HN -0.312 8.100 8.360 0.148 0.037 0.395 71 H N 7.053 126.286 119.070 0.273 0.000 2.176 71 H HA 0.195 5.028 4.556 0.461 0.000 0.228 71 H C -0.536 175.046 175.328 0.424 0.000 0.879 71 H CA 1.671 57.929 56.048 0.351 0.000 1.027 71 H CB 2.994 32.852 29.762 0.161 0.000 1.356 71 H HN 0.076 8.729 8.280 0.275 -0.208 0.425 72 N N -0.037 118.781 118.700 0.197 0.000 2.446 72 N HA 0.301 5.323 4.740 0.112 -0.216 0.265 72 N C 1.298 176.812 175.510 0.005 0.000 0.975 72 N CA -1.404 51.709 53.050 0.105 0.000 0.928 72 N CB 0.753 39.310 38.487 0.117 0.000 1.160 72 N HN -0.365 8.628 8.380 0.230 -0.475 0.495 73 L N 5.098 126.258 121.223 -0.105 0.000 2.265 73 L HA -0.203 3.967 4.340 -0.283 0.000 0.215 73 L C 0.573 177.394 176.870 -0.082 0.000 1.117 73 L CA 2.391 57.099 54.840 -0.221 0.000 0.782 73 L CB -0.168 41.684 42.059 -0.345 0.000 0.914 73 L HN 0.418 8.612 8.230 -0.059 0.000 0.441 74 N N -4.251 114.432 118.700 -0.028 0.000 2.205 74 N HA 0.148 4.882 4.740 -0.009 0.000 0.201 74 N C -0.939 174.579 175.510 0.013 0.000 1.128 74 N CA 0.449 53.496 53.050 -0.004 0.000 0.867 74 N CB 1.375 39.865 38.487 0.005 0.000 0.996 74 N HN -0.423 8.185 8.380 -0.014 -0.236 0.503 75 Q N -1.864 117.950 119.800 0.023 0.000 2.377 75 Q HA 0.121 4.477 4.340 0.027 0.000 0.279 75 Q C -1.976 174.047 176.000 0.039 0.000 1.049 75 Q CA -1.227 54.596 55.803 0.033 0.000 0.825 75 Q CB 3.767 32.531 28.738 0.043 0.000 1.401 75 Q HN -0.789 7.494 8.270 0.020 0.000 0.404 76 N N 2.463 121.183 118.700 0.033 0.000 2.431 76 N HA -0.271 4.628 4.740 0.046 -0.131 0.265 76 N C -0.498 175.024 175.510 0.020 0.000 1.184 76 N CA 0.515 53.584 53.050 0.033 0.000 0.943 76 N CB -0.060 38.442 38.487 0.025 0.000 1.080 76 N HN 0.250 8.647 8.380 0.028 0.000 0.477 77 D N 5.861 126.266 120.400 0.009 0.000 2.346 77 D HA 0.045 4.679 4.640 -0.010 0.000 0.206 77 D C 0.652 176.900 176.300 -0.088 0.000 1.001 77 D CA 0.669 54.652 54.000 -0.027 0.000 0.871 77 D CB 0.646 41.434 40.800 -0.020 0.000 0.943 77 D HN 0.184 9.033 8.370 0.016 -0.470 0.518 78 G N -1.098 107.662 108.800 -0.065 0.000 2.162 78 G HA2 -0.309 3.603 3.960 -0.080 0.000 0.260 78 G HA3 -0.309 3.625 3.960 -0.043 0.000 0.260 78 G C 0.152 174.972 174.900 -0.134 0.000 0.976 78 G CA 1.502 46.555 45.100 -0.079 0.000 0.655 78 G HN -0.206 8.355 8.290 -0.033 -0.291 0.533 79 T N -5.144 109.296 114.554 -0.189 0.000 3.058 79 T HA 0.025 4.254 4.350 -0.201 0.000 0.278 79 T C -0.065 174.533 174.700 -0.169 0.000 0.974 79 T CA -0.847 61.105 62.100 -0.248 0.000 0.893 79 T CB 1.013 69.528 68.868 -0.588 0.000 1.138 79 T HN -0.174 7.912 8.240 -0.163 0.056 0.529 80 E N 2.420 122.512 120.200 -0.179 0.000 2.383 80 E HA 0.180 4.655 4.350 -0.291 -0.300 0.264 80 E C -0.268 176.123 176.600 -0.348 0.000 1.050 80 E CA 0.535 56.740 56.400 -0.326 0.000 0.896 80 E CB 0.371 29.758 29.700 -0.523 0.000 0.982 80 E HN -0.042 8.232 8.360 -0.143 0.000 0.424 81 Q N 1.942 121.491 119.800 -0.420 0.000 2.337 81 Q HA 0.297 4.504 4.340 -0.222 0.000 0.270 81 Q C -1.234 174.489 176.000 -0.462 0.000 1.043 81 Q CA -1.227 54.392 55.803 -0.306 0.000 0.794 81 Q CB 2.827 31.488 28.738 -0.128 0.000 1.281 81 Q HN 0.357 8.386 8.270 -0.401 0.000 0.446 82 Y N 2.787 123.017 120.300 -0.115 0.000 2.331 82 Y HA 0.631 5.209 4.550 -0.201 -0.148 0.338 82 Y C -0.079 175.722 175.900 -0.165 0.000 0.976 82 Y CA -1.210 56.781 58.100 -0.182 0.000 1.137 82 Y CB 1.686 40.002 38.460 -0.241 0.000 1.172 82 Y HN 0.245 8.534 8.280 0.014 0.000 0.478 83 V N 3.504 123.382 119.914 -0.059 0.000 2.808 83 V HA 0.243 4.335 4.120 -0.046 0.000 0.308 83 V C -1.162 174.879 176.094 -0.088 0.000 1.099 83 V CA -1.437 60.825 62.300 -0.064 0.000 0.920 83 V CB 3.958 35.742 31.823 -0.064 0.000 1.014 83 V HN 0.492 8.627 8.190 -0.092 0.000 0.425 84 G N 3.752 112.514 108.800 -0.064 0.000 2.569 84 G HA2 0.141 4.092 3.960 -0.014 0.000 0.249 84 G HA3 0.141 4.072 3.960 -0.048 0.000 0.249 84 G C -1.670 173.203 174.900 -0.045 0.000 1.216 84 G CA -0.758 44.318 45.100 -0.041 0.000 0.845 84 G HN 0.537 8.797 8.290 -0.050 0.000 0.568 85 V N 2.081 121.984 119.914 -0.019 0.000 2.385 85 V HA -0.125 3.955 4.120 -0.066 0.000 0.269 85 V C -0.948 175.126 176.094 -0.033 0.000 1.043 85 V CA -0.070 62.211 62.300 -0.032 0.000 0.906 85 V CB -0.258 31.566 31.823 0.002 0.000 0.995 85 V HN -0.426 7.770 8.190 0.009 0.000 0.467 86 Q N 8.814 128.566 119.800 -0.080 0.000 2.297 86 Q HA -0.074 4.239 4.340 -0.045 0.000 0.203 86 Q C -0.015 175.946 176.000 -0.066 0.000 0.931 86 Q CA 1.397 57.154 55.803 -0.076 0.000 0.885 86 Q CB 1.630 30.296 28.738 -0.120 0.000 0.991 86 Q HN 0.627 8.825 8.270 -0.119 0.000 0.498 87 K N -1.673 118.673 120.400 -0.089 0.000 2.542 87 K HA 0.314 4.629 4.320 -0.008 0.000 0.259 87 K C -2.447 174.155 176.600 0.003 0.000 0.932 87 K CA -0.399 55.865 56.287 -0.039 0.000 0.820 87 K CB 3.909 36.377 32.500 -0.053 0.000 1.345 87 K HN -0.640 7.533 8.250 -0.128 0.000 0.432 88 I N 4.786 125.391 120.570 0.059 0.000 2.389 88 I HA 0.336 4.706 4.170 0.113 -0.133 0.288 88 I C -0.630 175.573 176.117 0.143 0.000 0.999 88 I CA -1.030 60.330 61.300 0.100 0.000 1.129 88 I CB 1.576 39.623 38.000 0.078 0.000 1.288 88 I HN 0.238 8.481 8.210 0.056 0.000 0.444 89 V N 9.883 129.919 119.914 0.204 0.000 2.304 89 V HA 0.252 4.487 4.120 0.192 0.000 0.278 89 V C -1.556 174.718 176.094 0.301 0.000 1.018 89 V CA -1.618 60.816 62.300 0.225 0.000 0.814 89 V CB 0.296 32.237 31.823 0.197 0.000 1.021 89 V HN 0.846 9.175 8.190 0.232 0.000 0.440 90 V N 6.937 127.005 119.914 0.256 0.000 2.686 90 V HA -0.072 4.171 4.120 0.206 0.000 0.295 90 V C -0.046 176.229 176.094 0.302 0.000 1.057 90 V CA -1.247 61.195 62.300 0.237 0.000 1.012 90 V CB 0.761 32.689 31.823 0.174 0.000 1.006 90 V HN 0.346 8.664 8.190 0.213 0.000 0.477 91 H N 8.054 127.151 119.070 0.045 0.000 3.125 91 H HA -0.053 4.378 4.556 -0.208 0.000 0.310 91 H C 0.379 175.748 175.328 0.068 0.000 0.980 91 H CA 0.749 56.684 56.048 -0.189 0.000 1.422 91 H CB 1.111 30.568 29.762 -0.509 0.000 1.432 91 H HN -0.290 8.045 8.280 0.093 0.000 0.577 92 P HA -0.044 4.445 4.420 0.116 0.000 0.228 92 P C -0.731 176.701 177.300 0.220 0.000 1.151 92 P CA 1.603 64.730 63.100 0.045 0.000 0.770 92 P CB 0.008 31.666 31.700 -0.071 0.000 0.786 93 Y N -4.430 115.895 120.300 0.040 0.000 2.500 93 Y HA 0.032 4.470 4.550 -0.187 0.000 0.270 93 Y C -0.157 175.710 175.900 -0.054 0.000 1.134 93 Y CA -1.011 56.959 58.100 -0.216 0.000 1.293 93 Y CB 0.289 38.236 38.460 -0.855 0.000 1.063 93 Y HN -0.758 7.732 8.280 0.459 0.066 0.534 94 W N 1.537 122.922 121.300 0.142 0.000 2.223 94 W HA -0.235 4.538 4.660 0.188 0.000 0.334 94 W C -1.135 175.431 176.519 0.078 0.000 1.334 94 W CA 0.454 57.881 57.345 0.138 0.000 1.246 94 W CB 0.687 30.223 29.460 0.126 0.000 1.184 94 W HN -0.762 7.731 8.180 0.521 0.000 0.563 95 N N 7.315 125.462 118.700 -0.921 0.000 2.504 95 N HA 0.236 4.556 4.740 -0.699 0.000 0.280 95 N C 0.197 174.854 175.510 -1.421 0.000 1.052 95 N CA -0.594 51.911 53.050 -0.908 0.000 0.887 95 N CB 1.749 39.959 38.487 -0.463 0.000 1.323 95 N HN 0.241 8.071 8.380 -0.917 0.000 0.509 96 T N 5.019 118.912 114.554 -1.103 0.000 2.929 96 T HA -0.245 3.674 4.350 -0.719 0.000 0.271 96 T C 0.625 175.105 174.700 -0.366 0.000 1.085 96 T CA 2.008 63.758 62.100 -0.584 0.000 1.125 96 T CB 0.125 68.982 68.868 -0.018 0.000 0.874 96 T HN 0.632 8.389 8.240 -0.805 0.000 0.494 97 D N -0.037 120.162 120.400 -0.334 0.000 2.328 97 D HA 0.050 4.587 4.640 -0.172 0.000 0.226 97 D C -0.539 175.618 176.300 -0.238 0.000 1.066 97 D CA 0.898 54.766 54.000 -0.220 0.000 0.861 97 D CB 0.374 41.079 40.800 -0.159 0.000 0.912 97 D HN -0.558 7.824 8.370 -0.362 -0.229 0.521 98 D N -1.656 118.539 120.400 -0.341 0.000 2.895 98 D HA 0.195 4.706 4.640 -0.216 0.000 0.320 98 D C -1.455 174.676 176.300 -0.282 0.000 1.249 98 D CA -1.010 52.827 54.000 -0.272 0.000 0.997 98 D CB 2.109 42.772 40.800 -0.229 0.000 1.430 98 D HN -0.489 7.404 8.370 -0.480 0.188 0.558 99 A N -3.018 119.777 122.820 -0.042 0.000 3.624 99 A HA -0.232 4.087 4.320 -0.002 0.000 0.225 99 A C -0.771 176.800 177.584 -0.020 0.000 0.899 99 A CA 0.575 52.616 52.037 0.007 0.000 1.848 99 A CB -0.703 18.321 19.000 0.039 0.000 0.804 99 A HN 0.606 8.711 8.150 -0.074 0.000 0.720 100 G N -1.930 106.888 108.800 0.031 0.000 2.512 100 G HA2 -0.287 3.497 3.960 -0.294 0.000 0.210 100 G HA3 -0.287 3.697 3.960 0.040 0.000 0.210 100 G C -0.877 174.090 174.900 0.111 0.000 1.295 100 G CA -0.442 44.624 45.100 -0.057 0.000 0.934 100 G HN -0.584 7.754 8.290 0.080 0.000 0.554 101 Y N -5.303 115.062 120.300 0.109 0.000 4.272 101 Y HA -0.433 3.914 4.550 -0.338 0.000 0.232 101 Y C -0.844 175.017 175.900 -0.065 0.000 1.149 101 Y CA 0.105 58.159 58.100 -0.077 0.000 1.961 101 Y CB -2.487 35.996 38.460 0.038 0.000 1.611 101 Y HN -0.066 8.000 8.280 -0.356 0.000 0.682 102 D N 0.151 120.524 120.400 -0.046 0.000 2.619 102 D HA 0.098 4.305 4.640 -0.721 0.000 0.224 102 D C -1.665 174.386 176.300 -0.415 0.000 1.133 102 D CA 0.197 53.990 54.000 -0.345 0.000 1.017 102 D CB -1.016 39.710 40.800 -0.123 0.000 1.077 102 D HN 0.065 8.381 8.370 -0.033 0.033 0.503 103 I N 2.190 122.483 120.570 -0.462 0.000 2.775 103 I HA 0.668 4.859 4.170 -0.286 -0.193 0.295 103 I C -3.273 172.721 176.117 -0.206 0.000 1.287 103 I CA -1.265 59.817 61.300 -0.363 0.000 1.029 103 I CB 4.195 41.869 38.000 -0.543 0.000 1.282 103 I HN -0.333 7.558 8.210 -0.463 0.042 0.426 104 A N 5.610 128.431 122.820 0.001 0.000 2.594 104 A HA 0.846 5.505 4.320 0.347 -0.131 0.295 104 A C -2.731 175.004 177.584 0.251 0.000 1.071 104 A CA -1.277 50.868 52.037 0.180 0.000 0.685 104 A CB 4.003 23.025 19.000 0.036 0.000 1.285 104 A HN 0.438 8.580 8.150 -0.014 0.000 0.405 105 L N 0.042 121.452 121.223 0.312 0.000 2.346 105 L HA 0.862 5.543 4.340 0.263 -0.183 0.276 105 L C -1.085 176.000 176.870 0.357 0.000 1.006 105 L CA -1.747 53.272 54.840 0.297 0.000 0.817 105 L CB 3.200 45.346 42.059 0.146 0.000 1.272 105 L HN 0.399 8.846 8.230 0.361 0.000 0.421 106 L N 0.680 122.096 121.223 0.322 0.000 2.298 106 L HA 0.648 5.220 4.340 0.110 -0.166 0.284 106 L C -1.063 175.767 176.870 -0.066 0.000 1.013 106 L CA -1.693 53.227 54.840 0.134 0.000 0.824 106 L CB 1.245 43.342 42.059 0.064 0.000 1.221 106 L HN 0.773 9.202 8.230 0.332 0.000 0.418 107 R N 4.569 124.785 120.500 -0.473 0.000 2.265 107 R HA 0.420 4.085 4.340 -1.426 -0.180 0.314 107 R C -0.936 175.071 176.300 -0.488 0.000 1.053 107 R CA -1.140 54.339 56.100 -1.035 0.000 0.931 107 R CB 1.599 31.128 30.300 -1.286 0.000 1.024 107 R HN 0.321 8.402 8.270 -0.314 0.000 0.457 108 L N 5.330 126.303 121.223 -0.418 0.000 2.418 108 L HA 0.136 4.499 4.340 -0.174 -0.127 0.265 108 L C 0.080 176.831 176.870 -0.199 0.000 1.143 108 L CA -0.166 54.538 54.840 -0.226 0.000 0.809 108 L CB 0.679 42.642 42.059 -0.160 0.000 1.124 108 L HN 0.282 8.092 8.230 -0.522 0.106 0.456 109 A N 2.183 124.927 122.820 -0.127 0.000 2.015 109 A HA -0.169 4.087 4.320 -0.106 0.000 0.219 109 A C -0.190 177.344 177.584 -0.084 0.000 1.163 109 A CA 2.019 53.999 52.037 -0.096 0.000 0.646 109 A CB 0.630 19.595 19.000 -0.059 0.000 0.806 109 A HN 0.515 8.600 8.150 -0.107 0.000 0.448 110 Q N -4.004 115.748 119.800 -0.081 0.000 2.421 110 Q HA 0.221 4.526 4.340 -0.058 0.000 0.280 110 Q C -1.807 174.153 176.000 -0.066 0.000 1.085 110 Q CA -1.536 54.230 55.803 -0.061 0.000 0.807 110 Q CB 3.702 32.416 28.738 -0.040 0.000 1.405 110 Q HN -0.498 7.685 8.270 -0.087 0.034 0.419 111 S N 1.508 117.179 115.700 -0.048 0.000 2.499 111 S HA -0.025 4.604 4.470 -0.041 -0.184 0.275 111 S C 0.232 174.820 174.600 -0.020 0.000 1.257 111 S CA -0.093 58.087 58.200 -0.033 0.000 1.050 111 S CB 0.634 63.824 63.200 -0.016 0.000 0.937 111 S HN 0.199 8.484 8.310 -0.042 0.000 0.490 112 V N 2.781 122.686 119.914 -0.014 0.000 3.003 112 V HA 0.066 4.242 4.120 -0.015 -0.065 0.305 112 V C -0.052 176.044 176.094 0.004 0.000 1.078 112 V CA -1.867 60.428 62.300 -0.009 0.000 1.083 112 V CB 0.474 32.292 31.823 -0.009 0.000 1.039 112 V HN 0.188 8.370 8.190 -0.013 0.000 0.481 113 T N 4.473 119.030 114.554 0.006 0.000 2.817 113 T HA 0.039 4.397 4.350 0.013 0.000 0.293 113 T C -0.472 174.242 174.700 0.023 0.000 0.964 113 T CA 0.505 62.614 62.100 0.014 0.000 1.085 113 T CB 0.975 69.850 68.868 0.013 0.000 0.921 113 T HN -0.298 8.244 8.240 0.001 -0.301 0.502 114 L N 6.840 128.077 121.223 0.024 0.000 2.350 114 L HA 0.135 4.640 4.340 0.033 -0.145 0.275 114 L C -0.713 176.171 176.870 0.022 0.000 1.099 114 L CA -0.242 54.614 54.840 0.026 0.000 0.808 114 L CB 0.501 42.572 42.059 0.021 0.000 1.149 114 L HN 0.317 8.559 8.230 0.020 0.000 0.442 115 N N 2.517 121.229 118.700 0.020 0.000 3.378 115 N HA 0.094 4.825 4.740 -0.016 0.000 0.294 115 N C -0.547 174.918 175.510 -0.075 0.000 1.544 115 N CA -0.349 52.700 53.050 -0.001 0.000 0.872 115 N CB 0.671 39.193 38.487 0.058 0.000 1.670 115 N HN 0.173 8.568 8.380 0.024 0.000 0.551 116 S N -2.087 113.483 115.700 -0.216 0.000 2.507 116 S HA -0.153 4.161 4.470 -0.260 0.000 0.235 116 S C -0.017 174.273 174.600 -0.517 0.000 0.988 116 S CA 2.847 60.808 58.200 -0.398 0.000 0.944 116 S CB -0.510 62.363 63.200 -0.544 0.000 0.762 116 S HN 0.361 8.553 8.310 -0.196 0.000 0.526 117 Y N -2.107 118.183 120.300 -0.016 0.000 2.458 117 Y HA 0.095 4.642 4.550 -0.005 0.000 0.254 117 Y C -1.032 174.881 175.900 0.022 0.000 1.120 117 Y CA 0.388 58.487 58.100 -0.001 0.000 1.282 117 Y CB 1.269 39.730 38.460 0.001 0.000 1.109 117 Y HN -0.499 7.905 8.280 -0.150 -0.214 0.526 118 V N -0.226 119.754 119.914 0.111 0.000 2.462 118 V HA 0.431 4.786 4.120 0.106 -0.171 0.288 118 V C -1.589 174.539 176.094 0.056 0.000 1.020 118 V CA -1.677 60.678 62.300 0.092 0.000 0.857 118 V CB 0.679 32.550 31.823 0.081 0.000 1.013 118 V HN -0.677 7.523 8.190 0.063 0.028 0.431 119 Q N 4.796 124.634 119.800 0.064 0.000 2.456 119 Q HA 0.398 4.763 4.340 0.043 0.000 0.284 119 Q C -1.946 174.100 176.000 0.077 0.000 1.061 119 Q CA -2.038 53.797 55.803 0.053 0.000 0.799 119 Q CB 4.974 33.732 28.738 0.033 0.000 1.445 119 Q HN -0.072 8.148 8.270 0.083 0.100 0.411 120 L N -0.106 121.159 121.223 0.071 0.000 2.416 120 L HA 0.017 4.559 4.340 0.091 -0.147 0.272 120 L C 1.032 177.962 176.870 0.099 0.000 1.161 120 L CA -0.234 54.656 54.840 0.083 0.000 0.845 120 L CB 0.135 42.236 42.059 0.069 0.000 1.119 120 L HN 0.236 8.501 8.230 0.058 0.000 0.464 121 G N 3.211 112.080 108.800 0.115 0.000 2.406 121 G HA2 -0.060 3.984 3.960 0.140 0.000 0.251 121 G HA3 -0.060 3.999 3.960 0.166 0.000 0.251 121 G C -0.848 174.116 174.900 0.107 0.000 1.271 121 G CA -0.597 44.585 45.100 0.136 0.000 0.859 121 G HN 0.373 8.730 8.290 0.112 0.000 0.540 122 V N 3.733 123.720 119.914 0.123 0.000 2.488 122 V HA 0.018 4.180 4.120 0.070 0.000 0.277 122 V C -0.676 175.458 176.094 0.066 0.000 1.046 122 V CA -0.301 62.054 62.300 0.092 0.000 0.986 122 V CB 0.096 31.985 31.823 0.110 0.000 0.989 122 V HN 0.172 8.456 8.190 0.157 0.000 0.475 123 L N 8.221 129.458 121.223 0.023 0.000 2.360 123 L HA 0.469 4.786 4.340 -0.039 0.000 0.271 123 L C -1.216 175.610 176.870 -0.073 0.000 1.057 123 L CA -2.871 51.953 54.840 -0.027 0.000 0.803 123 L CB 0.054 42.104 42.059 -0.015 0.000 1.207 123 L HN 0.231 8.475 8.230 0.024 0.000 0.445 124 P HA 0.055 4.390 4.420 -0.142 0.000 0.274 124 P C -0.863 176.376 177.300 -0.101 0.000 1.237 124 P CA -0.750 62.219 63.100 -0.218 0.000 0.793 124 P CB 0.497 31.869 31.700 -0.547 0.000 0.977 125 R N -0.813 119.656 120.500 -0.053 0.000 2.679 125 R HA -0.176 4.150 4.340 -0.023 0.000 0.268 125 R C 0.033 176.315 176.300 -0.031 0.000 1.044 125 R CA 0.117 56.200 56.100 -0.028 0.000 1.105 125 R CB 0.601 30.896 30.300 -0.008 0.000 0.989 125 R HN 0.270 8.516 8.270 -0.039 0.000 0.447 126 A N 1.525 124.333 122.820 -0.021 0.000 2.567 126 A HA -0.379 4.092 4.320 -0.020 -0.163 0.240 126 A C 1.375 178.946 177.584 -0.021 0.000 1.053 126 A CA 1.194 53.220 52.037 -0.019 0.000 0.755 126 A CB -0.538 18.454 19.000 -0.013 0.000 0.978 126 A HN 0.242 8.382 8.150 -0.016 0.000 0.507 127 G N 3.390 112.174 108.800 -0.027 0.000 2.199 127 G HA2 -0.414 3.531 3.960 -0.025 0.000 0.254 127 G HA3 -0.414 3.523 3.960 -0.039 0.000 0.254 127 G C 0.024 174.918 174.900 -0.010 0.000 0.982 127 G CA -0.179 44.905 45.100 -0.027 0.000 0.632 127 G HN 0.238 8.508 8.290 -0.032 0.000 0.529 128 T N 3.979 118.535 114.554 0.004 0.000 2.867 128 T HA -0.113 4.259 4.350 0.036 0.000 0.297 128 T C -0.780 173.960 174.700 0.066 0.000 0.989 128 T CA 2.491 64.617 62.100 0.042 0.000 1.159 128 T CB 0.416 69.328 68.868 0.074 0.000 0.928 128 T HN -0.489 7.675 8.240 -0.007 0.071 0.538 129 I N 5.703 126.305 120.570 0.052 0.000 2.436 129 I HA 0.231 4.437 4.170 0.060 0.000 0.289 129 I C -0.599 175.535 176.117 0.029 0.000 1.010 129 I CA -1.593 59.733 61.300 0.042 0.000 1.098 129 I CB 1.102 39.109 38.000 0.011 0.000 1.266 129 I HN 0.096 8.329 8.210 0.040 0.000 0.434 130 L N 6.741 127.967 121.223 0.006 0.000 2.371 130 L HA 0.104 4.415 4.340 -0.049 0.000 0.272 130 L C -0.133 176.714 176.870 -0.038 0.000 1.124 130 L CA -0.778 54.032 54.840 -0.051 0.000 0.816 130 L CB 0.189 42.164 42.059 -0.139 0.000 1.129 130 L HN 0.209 8.450 8.230 0.018 0.000 0.448 131 A N 0.620 123.416 122.820 -0.040 0.000 2.466 131 A HA -0.168 4.140 4.320 -0.020 0.000 0.238 131 A C -0.551 177.010 177.584 -0.040 0.000 1.074 131 A CA -0.106 51.913 52.037 -0.031 0.000 0.774 131 A CB 0.738 19.721 19.000 -0.028 0.000 1.015 131 A HN 0.290 8.414 8.150 -0.044 0.000 0.498 132 N N 1.022 119.704 118.700 -0.031 0.000 2.353 132 N HA -0.440 4.274 4.740 -0.043 0.000 0.248 132 N C 0.222 175.707 175.510 -0.041 0.000 1.240 132 N CA 1.479 54.506 53.050 -0.038 0.000 0.862 132 N CB 0.456 38.922 38.487 -0.035 0.000 1.086 132 N HN 0.436 8.802 8.380 -0.023 0.000 0.453 133 N N 1.383 120.052 118.700 -0.051 0.000 2.776 133 N HA -0.403 4.400 4.740 -0.062 -0.100 0.250 133 N C -1.264 174.209 175.510 -0.062 0.000 1.112 133 N CA 1.426 54.446 53.050 -0.050 0.000 0.733 133 N CB -1.044 37.432 38.487 -0.019 0.000 1.097 133 N HN 0.240 8.488 8.380 -0.056 0.098 0.558 134 S N -0.718 114.929 115.700 -0.090 0.000 2.564 134 S HA 0.137 4.566 4.470 -0.069 0.000 0.278 134 S C -1.744 172.773 174.600 -0.139 0.000 1.333 134 S CA -0.346 57.793 58.200 -0.102 0.000 1.048 134 S CB 0.620 63.740 63.200 -0.133 0.000 0.900 134 S HN -0.514 7.702 8.310 -0.094 0.038 0.505 135 P HA 0.088 4.390 4.420 -0.196 0.000 0.276 135 P C -1.874 175.377 177.300 -0.082 0.000 1.243 135 P CA -0.143 62.926 63.100 -0.052 0.000 0.768 135 P CB 0.461 32.268 31.700 0.179 0.000 0.856 136 c N 0.339 118.774 118.600 -0.275 0.000 3.173 136 c HA 0.760 5.561 4.570 0.115 -0.162 0.310 136 c C -1.068 172.845 174.090 -0.295 0.000 1.306 136 c CA -0.995 55.251 56.329 -0.139 0.000 1.426 136 c CB 4.561 46.930 42.510 -0.235 0.000 1.800 136 c HN 0.100 7.984 8.230 -0.577 0.000 0.470 137 Y N -1.460 118.846 120.300 0.011 0.000 2.376 137 Y HA 0.722 5.460 4.550 -0.036 -0.210 0.340 137 Y C -0.722 175.060 175.900 -0.198 0.000 0.965 137 Y CA -1.658 56.392 58.100 -0.084 0.000 1.078 137 Y CB 3.457 41.814 38.460 -0.172 0.000 1.193 137 Y HN 0.623 9.048 8.280 0.242 0.000 0.452 138 I N 3.945 124.505 120.570 -0.016 0.000 2.472 138 I HA 0.463 4.717 4.170 -0.100 -0.143 0.290 138 I C -1.479 174.571 176.117 -0.111 0.000 1.016 138 I CA -1.157 60.119 61.300 -0.040 0.000 1.348 138 I CB 2.525 40.584 38.000 0.099 0.000 1.417 138 I HN 0.245 8.459 8.210 0.008 0.000 0.521 139 T N 4.199 118.643 114.554 -0.182 0.000 2.907 139 T HA 0.996 5.387 4.350 -0.254 -0.194 0.292 139 T C -0.821 173.764 174.700 -0.192 0.000 1.043 139 T CA -2.478 59.462 62.100 -0.267 0.000 1.003 139 T CB 3.458 72.040 68.868 -0.476 0.000 1.084 139 T HN -0.287 7.856 8.240 -0.162 0.000 0.483 140 G N 0.380 109.005 108.800 -0.292 0.000 2.316 140 G HA2 0.183 4.273 3.960 -0.048 0.000 0.296 140 G HA3 0.183 3.960 3.960 -0.305 0.000 0.296 140 G C -1.967 172.725 174.900 -0.346 0.000 1.399 140 G CA 0.531 45.484 45.100 -0.246 0.000 0.833 140 G HN -0.025 8.054 8.290 -0.352 0.000 0.565 141 W N 0.545 121.792 121.300 -0.088 0.000 3.239 141 W HA 0.318 4.889 4.660 -0.149 0.000 0.368 141 W C -0.026 176.414 176.519 -0.132 0.000 1.154 141 W CA -0.739 56.480 57.345 -0.209 0.000 1.860 141 W CB 0.714 29.866 29.460 -0.514 0.000 1.094 141 W HN 0.564 8.918 8.180 0.289 0.000 0.643 142 G N -0.549 108.351 108.800 0.166 0.000 2.683 142 G HA2 0.040 4.198 3.960 0.165 0.000 0.260 142 G HA3 0.040 4.174 3.960 0.218 -0.042 0.260 142 G C -0.695 174.274 174.900 0.114 0.000 1.238 142 G CA -0.862 44.340 45.100 0.169 0.000 0.934 142 G HN -0.126 8.478 8.290 0.145 -0.227 0.534 143 L N -1.008 120.282 121.223 0.111 0.000 2.593 143 L HA -0.379 4.142 4.340 0.085 -0.129 0.287 143 L C 1.022 177.933 176.870 0.067 0.000 1.243 143 L CA 1.151 56.043 54.840 0.086 0.000 0.890 143 L CB -0.092 42.017 42.059 0.082 0.000 1.134 143 L HN 0.095 8.401 8.230 0.127 0.000 0.502 144 T N -4.116 110.472 114.554 0.057 0.000 3.107 144 T HA 0.074 4.700 4.350 0.045 -0.249 0.249 144 T C -0.191 174.535 174.700 0.044 0.000 1.096 144 T CA -0.005 62.123 62.100 0.047 0.000 1.012 144 T CB 1.476 70.369 68.868 0.042 0.000 0.977 144 T HN 0.080 8.355 8.240 0.058 0.000 0.527 148 N N 0.778 119.504 118.700 0.044 0.000 2.714 148 N HA -0.291 4.477 4.740 0.046 0.000 0.250 148 N C -0.632 174.903 175.510 0.042 0.000 1.117 148 N CA 1.179 54.254 53.050 0.042 0.000 0.719 148 N CB -0.436 38.071 38.487 0.033 0.000 1.081 148 N HN 0.501 8.910 8.380 0.048 0.000 0.557 149 G N -0.649 108.179 108.800 0.047 0.000 2.882 149 G HA2 0.221 4.265 3.960 0.046 0.000 0.164 149 G HA3 0.221 4.206 3.960 0.041 0.000 0.164 149 G C -2.151 172.781 174.900 0.054 0.000 1.429 149 G CA 0.136 45.264 45.100 0.046 0.000 1.059 149 G HN -0.313 7.970 8.290 0.051 0.037 0.581 150 Q N -2.172 117.661 119.800 0.055 0.000 2.433 150 Q HA 0.226 4.605 4.340 0.066 0.000 0.279 150 Q C -0.936 175.105 176.000 0.070 0.000 1.105 150 Q CA -1.583 54.257 55.803 0.061 0.000 0.815 150 Q CB 2.446 31.214 28.738 0.050 0.000 1.403 150 Q HN 0.220 8.520 8.270 0.052 0.000 0.435 151 L N 0.221 121.491 121.223 0.079 0.000 2.506 151 L HA -0.194 4.278 4.340 0.100 -0.072 0.281 151 L C 0.504 177.419 176.870 0.075 0.000 1.228 151 L CA 0.707 55.598 54.840 0.086 0.000 0.850 151 L CB 0.042 42.149 42.059 0.080 0.000 1.110 151 L HN 0.311 8.590 8.230 0.081 0.000 0.496 152 A N 2.592 125.466 122.820 0.091 0.000 2.425 152 A HA -0.056 4.305 4.320 0.069 0.000 0.242 152 A C -0.310 177.354 177.584 0.134 0.000 1.077 152 A CA 0.416 52.509 52.037 0.094 0.000 0.781 152 A CB 0.760 19.800 19.000 0.067 0.000 1.020 152 A HN -0.246 7.963 8.150 0.098 0.000 0.494 153 Q N -0.887 118.974 119.800 0.102 0.000 2.089 153 Q HA -0.011 4.495 4.340 0.078 -0.119 0.195 153 Q C 0.286 176.386 176.000 0.168 0.000 0.963 153 Q CA 2.121 57.983 55.803 0.099 0.000 0.834 153 Q CB 0.712 29.484 28.738 0.057 0.000 0.906 153 Q HN 0.303 8.619 8.270 0.076 0.000 0.452 154 T N -4.395 110.209 114.554 0.082 0.000 2.902 154 T HA 0.476 4.979 4.350 -0.083 -0.202 0.283 154 T C 0.175 174.732 174.700 -0.239 0.000 1.009 154 T CA -2.202 59.844 62.100 -0.090 0.000 1.051 154 T CB 1.815 70.604 68.868 -0.132 0.000 0.999 154 T HN -0.638 7.635 8.240 0.055 0.000 0.474 155 L N 3.260 124.140 121.223 -0.572 0.000 2.540 155 L HA -0.166 3.290 4.340 -1.474 0.000 0.276 155 L C -1.224 175.396 176.870 -0.417 0.000 1.212 155 L CA 1.100 55.402 54.840 -0.897 0.000 0.893 155 L CB 0.572 42.161 42.059 -0.783 0.000 1.138 155 L HN -0.100 7.726 8.230 -0.673 0.000 0.491 156 Q N 5.275 124.847 119.800 -0.380 0.000 2.257 156 Q HA 0.615 5.060 4.340 -0.093 -0.161 0.262 156 Q C -0.763 175.157 176.000 -0.133 0.000 0.997 156 Q CA -1.939 53.768 55.803 -0.161 0.000 0.873 156 Q CB 2.859 31.537 28.738 -0.100 0.000 1.312 156 Q HN 0.055 8.010 8.270 -0.525 0.000 0.450 157 Q N -1.496 118.293 119.800 -0.019 0.000 2.397 157 Q HA 1.032 5.559 4.340 -0.061 -0.225 0.275 157 Q C -2.180 173.918 176.000 0.163 0.000 1.090 157 Q CA -2.361 53.458 55.803 0.026 0.000 0.809 157 Q CB 4.774 33.550 28.738 0.064 0.000 1.362 157 Q HN 0.609 8.890 8.270 0.019 0.000 0.431 158 A N 0.863 123.818 122.820 0.224 0.000 2.422 158 A HA 0.440 4.927 4.320 0.278 0.000 0.302 158 A C -2.771 174.939 177.584 0.210 0.000 1.041 158 A CA -1.138 51.040 52.037 0.235 0.000 0.708 158 A CB 3.950 23.023 19.000 0.122 0.000 1.257 158 A HN 0.345 8.603 8.150 0.179 0.000 0.414 159 Y N 4.537 124.818 120.300 -0.031 0.000 2.531 159 Y HA 0.034 4.253 4.550 -0.806 -0.152 0.347 159 Y C -0.997 174.791 175.900 -0.186 0.000 1.024 159 Y CA 0.186 58.054 58.100 -0.386 0.000 1.306 159 Y CB -0.230 38.035 38.460 -0.326 0.000 1.149 159 Y HN 0.321 8.785 8.280 0.306 0.000 0.527 160 L N 10.032 130.897 121.223 -0.596 0.000 2.454 160 L HA 0.363 4.531 4.340 -0.286 0.000 0.258 160 L C -2.569 173.994 176.870 -0.512 0.000 1.025 160 L CA -2.833 51.775 54.840 -0.386 0.000 0.901 160 L CB 1.044 43.011 42.059 -0.152 0.000 1.210 160 L HN 0.024 7.831 8.230 -0.705 0.000 0.457 161 P HA 0.372 4.703 4.420 -0.468 -0.193 0.272 161 P C -0.129 177.048 177.300 -0.205 0.000 1.223 161 P CA -1.075 61.786 63.100 -0.399 0.000 0.784 161 P CB 0.759 32.286 31.700 -0.289 0.000 0.923 162 T N -0.198 114.251 114.554 -0.175 0.000 2.900 162 T HA 0.069 4.510 4.350 -0.101 -0.152 0.307 162 T C 0.178 174.841 174.700 -0.062 0.000 1.065 162 T CA -0.266 61.767 62.100 -0.111 0.000 1.105 162 T CB 0.851 69.650 68.868 -0.115 0.000 0.979 162 T HN 0.082 8.206 8.240 -0.194 0.000 0.544 163 V N 3.337 123.233 119.914 -0.029 0.000 2.376 163 V HA 0.563 4.827 4.120 -0.058 -0.179 0.287 163 V C -0.600 175.467 176.094 -0.045 0.000 1.015 163 V CA -1.743 60.533 62.300 -0.041 0.000 0.834 163 V CB 1.399 33.217 31.823 -0.010 0.000 1.001 163 V HN 0.064 8.245 8.190 -0.015 0.000 0.428 164 D N 7.333 127.699 120.400 -0.056 0.000 2.363 164 D HA -0.070 4.579 4.640 0.016 0.000 0.240 164 D C 0.238 176.539 176.300 0.001 0.000 1.236 164 D CA -1.044 52.950 54.000 -0.009 0.000 0.927 164 D CB 1.284 42.081 40.800 -0.005 0.000 1.150 164 D HN 0.063 8.709 8.370 -0.071 -0.318 0.458 165 Y N 1.684 121.957 120.300 -0.046 0.000 2.128 165 Y HA -0.568 3.967 4.550 -0.024 0.000 0.284 165 Y C 1.182 177.058 175.900 -0.041 0.000 1.154 165 Y CA 4.360 62.441 58.100 -0.032 0.000 1.149 165 Y CB 0.003 38.451 38.460 -0.020 0.000 0.976 165 Y HN 0.345 8.737 8.280 0.187 0.000 0.505 166 A N -1.464 121.313 122.820 -0.072 0.000 1.940 166 A HA -0.275 3.908 4.320 -0.229 0.000 0.219 166 A C 2.283 179.725 177.584 -0.236 0.000 1.176 166 A CA 2.720 54.661 52.037 -0.160 0.000 0.631 166 A CB -0.765 18.218 19.000 -0.028 0.000 0.814 166 A HN 0.078 8.320 8.150 0.081 -0.043 0.446 167 I N -3.144 117.276 120.570 -0.251 0.000 2.277 167 I HA -0.436 3.525 4.170 -0.347 0.000 0.243 167 I C 2.244 178.038 176.117 -0.537 0.000 1.094 167 I CA 3.542 64.595 61.300 -0.412 0.000 1.393 167 I CB 0.158 37.881 38.000 -0.461 0.000 1.078 167 I HN -0.462 7.920 8.210 -0.198 -0.290 0.417 168 c N -0.622 117.752 118.600 -0.378 0.000 2.435 168 c HA -0.317 4.136 4.570 -0.195 0.000 0.279 168 c C 0.143 174.214 174.090 -0.032 0.000 1.321 168 c CA 1.874 58.104 56.329 -0.165 0.000 1.752 168 c CB -0.953 41.550 42.510 -0.011 0.000 1.959 168 c HN 0.332 8.381 8.230 -0.301 0.000 0.500 169 S N 1.559 117.100 115.700 -0.264 0.000 3.965 169 S HA 0.286 4.864 4.470 -0.051 -0.139 0.195 169 S C 1.095 175.622 174.600 -0.123 0.000 1.449 169 S CA -0.347 57.710 58.200 -0.238 0.000 0.965 169 S CB -1.191 61.614 63.200 -0.658 0.000 1.459 169 S HN -0.183 7.855 8.310 -0.412 0.025 0.476 170 S N 1.908 117.648 115.700 0.067 0.000 2.523 170 S HA -0.499 3.931 4.470 -0.066 0.000 0.320 170 S C 0.293 174.815 174.600 -0.130 0.000 1.112 170 S CA 1.999 60.180 58.200 -0.031 0.000 1.119 170 S CB -0.367 62.802 63.200 -0.052 0.000 0.607 170 S HN 0.090 8.466 8.310 0.109 0.000 0.510 171 Y N 0.768 121.017 120.300 -0.086 0.000 3.098 171 Y HA 0.270 4.929 4.550 -0.205 -0.232 0.204 171 Y C 1.781 177.581 175.900 -0.168 0.000 0.896 171 Y CA -0.005 58.019 58.100 -0.127 0.000 1.051 171 Y CB 0.597 39.053 38.460 -0.008 0.000 1.077 171 Y HN -0.628 7.838 8.280 0.309 0.000 0.463 172 W N -3.864 117.547 121.300 0.186 0.000 3.220 172 W HA 0.008 4.735 4.660 0.112 0.000 0.328 172 W C 0.000 176.565 176.519 0.076 0.000 1.205 172 W CA 0.189 57.607 57.345 0.120 0.000 1.773 172 W CB 1.949 31.495 29.460 0.144 0.000 1.086 172 W HN 0.123 8.594 8.180 0.486 0.000 0.622 173 G N -1.134 107.804 108.800 0.231 0.000 2.594 173 G HA2 -0.544 3.488 3.960 0.119 0.000 0.297 173 G HA3 -0.544 3.685 3.960 0.082 -0.219 0.297 173 G C 0.750 175.729 174.900 0.131 0.000 1.273 173 G CA 1.120 46.298 45.100 0.131 0.000 0.974 173 G HN -0.608 7.811 8.290 0.215 0.000 0.552 174 S N 1.567 117.333 115.700 0.109 0.000 2.469 174 S HA -0.334 4.193 4.470 0.094 0.000 0.238 174 S C 1.551 176.223 174.600 0.121 0.000 0.998 174 S CA 1.917 60.177 58.200 0.100 0.000 0.957 174 S CB -0.496 62.748 63.200 0.073 0.000 0.764 174 S HN 0.240 8.609 8.310 0.098 0.000 0.514 175 T N 4.098 118.752 114.554 0.167 0.000 2.821 175 T HA -0.177 4.224 4.350 0.085 0.000 0.267 175 T C 0.231 175.018 174.700 0.144 0.000 1.046 175 T CA 3.895 66.087 62.100 0.153 0.000 1.139 175 T CB 0.209 69.248 68.868 0.285 0.000 0.871 175 T HN -0.687 7.605 8.240 0.204 0.070 0.454 176 V N 1.591 121.608 119.914 0.171 0.000 2.607 176 V HA -0.145 4.041 4.120 0.109 0.000 0.289 176 V C -1.231 174.991 176.094 0.213 0.000 1.053 176 V CA 0.642 63.020 62.300 0.130 0.000 0.996 176 V CB 0.684 32.548 31.823 0.069 0.000 0.995 176 V HN -0.791 7.526 8.190 0.212 0.000 0.476 177 K N 4.890 125.405 120.400 0.190 0.000 2.295 177 K HA 0.308 4.780 4.320 0.253 0.000 0.239 177 K C 0.147 176.809 176.600 0.104 0.000 0.991 177 K CA -2.530 53.858 56.287 0.169 0.000 0.845 177 K CB 1.828 34.345 32.500 0.028 0.000 1.197 177 K HN -0.535 7.796 8.250 0.134 0.000 0.441 178 N N 1.227 119.828 118.700 -0.166 0.000 2.520 178 N HA -0.275 4.263 4.740 -0.338 0.000 0.185 178 N C 0.701 176.121 175.510 -0.149 0.000 1.068 178 N CA 2.225 55.075 53.050 -0.334 0.000 0.911 178 N CB -0.066 38.081 38.487 -0.567 0.000 0.961 178 N HN 0.499 8.763 8.380 -0.195 0.000 0.446 179 S N -5.014 110.621 115.700 -0.108 0.000 2.650 179 S HA -0.080 4.332 4.470 -0.096 0.000 0.219 179 S C -0.616 173.996 174.600 0.020 0.000 0.960 179 S CA 0.744 58.897 58.200 -0.077 0.000 0.925 179 S CB -0.399 62.712 63.200 -0.149 0.000 0.775 179 S HN -0.127 8.062 8.310 -0.110 0.055 0.525 180 M N 0.328 119.942 119.600 0.024 0.000 2.662 180 M HA 0.689 5.408 4.480 0.055 -0.205 0.310 180 M C -1.181 175.155 176.300 0.060 0.000 1.204 180 M CA -0.452 54.873 55.300 0.042 0.000 0.891 180 M CB 4.951 37.554 32.600 0.005 0.000 1.732 180 M HN -0.673 7.524 8.290 0.014 0.102 0.467 181 V N -0.052 119.911 119.914 0.082 0.000 2.495 181 V HA 0.315 4.475 4.120 0.067 0.000 0.298 181 V C -1.905 174.274 176.094 0.141 0.000 1.031 181 V CA -2.206 60.146 62.300 0.087 0.000 0.871 181 V CB 2.483 34.329 31.823 0.038 0.000 0.988 181 V HN 0.481 8.733 8.190 0.103 0.000 0.432 182 c N 6.147 124.804 118.600 0.095 0.000 2.358 182 c HA 0.814 5.634 4.570 0.137 -0.168 0.342 182 c C -0.962 173.206 174.090 0.131 0.000 1.234 182 c CA -1.445 54.958 56.329 0.123 0.000 1.969 182 c CB 1.231 43.804 42.510 0.104 0.000 2.346 182 c HN 0.682 8.953 8.230 0.068 0.000 0.525 183 A N 2.325 125.275 122.820 0.216 0.000 2.517 183 A HA 0.748 5.221 4.320 0.026 -0.138 0.297 183 A C -1.589 176.073 177.584 0.130 0.000 1.050 183 A CA -1.240 50.857 52.037 0.100 0.000 0.694 183 A CB 3.078 22.053 19.000 -0.041 0.000 1.277 183 A HN 0.319 8.645 8.150 0.293 0.000 0.400 184 G N 2.602 111.427 108.800 0.042 0.000 2.662 184 G HA2 -0.288 3.710 3.960 0.063 0.000 0.236 184 G HA3 -0.288 3.669 3.960 -0.004 0.000 0.236 184 G C -0.128 174.826 174.900 0.090 0.000 1.212 184 G CA -0.010 45.117 45.100 0.045 0.000 0.968 184 G HN 0.611 8.900 8.290 -0.003 0.000 0.576 185 G N 0.558 109.414 108.800 0.093 0.000 2.136 185 G HA2 -0.362 3.668 3.960 0.117 0.000 0.242 185 G HA3 -0.362 3.633 3.960 0.059 0.000 0.242 185 G C 0.178 175.096 174.900 0.030 0.000 0.989 185 G CA 0.539 45.684 45.100 0.076 0.000 0.682 185 G HN 0.454 8.796 8.290 0.088 0.000 0.522 186 D N -1.553 118.866 120.400 0.032 0.000 2.340 186 D HA -0.073 4.577 4.640 0.017 0.000 0.220 186 D C 0.695 176.998 176.300 0.005 0.000 1.039 186 D CA -0.760 53.253 54.000 0.021 0.000 0.866 186 D CB -0.387 40.434 40.800 0.035 0.000 0.913 186 D HN -0.006 8.388 8.370 0.040 0.000 0.523 187 G N -0.129 108.670 108.800 -0.001 0.000 2.137 187 G HA2 -0.388 3.562 3.960 -0.017 0.000 0.237 187 G HA3 -0.388 3.562 3.960 -0.016 0.000 0.237 187 G C -0.002 174.903 174.900 0.008 0.000 1.002 187 G CA 0.110 45.206 45.100 -0.008 0.000 0.702 187 G HN -0.141 8.091 8.290 0.004 0.061 0.515 188 R N -0.693 119.836 120.500 0.047 0.000 2.465 188 R HA -0.305 4.305 4.340 0.057 -0.236 0.273 188 R C -0.173 176.160 176.300 0.055 0.000 0.952 188 R CA 1.312 57.446 56.100 0.056 0.000 1.103 188 R CB 0.288 30.628 30.300 0.067 0.000 0.861 188 R HN -0.052 8.605 8.270 0.045 -0.360 0.425 189 S N 0.314 116.049 115.700 0.059 0.000 2.611 189 S HA 0.191 4.705 4.470 0.073 0.000 0.270 189 S C -1.033 173.604 174.600 0.062 0.000 1.131 189 S CA -0.620 57.618 58.200 0.064 0.000 0.826 189 S CB 3.168 66.402 63.200 0.057 0.000 1.095 189 S HN 0.010 8.356 8.310 0.059 0.000 0.461 190 G N -1.175 107.657 108.800 0.054 0.000 2.634 190 G HA2 0.239 4.199 3.960 0.000 0.000 0.255 190 G HA3 0.239 4.333 3.960 0.050 -0.104 0.255 190 G C -1.786 173.137 174.900 0.038 0.000 1.205 190 G CA -0.471 44.649 45.100 0.034 0.000 0.884 190 G HN -0.339 7.985 8.290 0.056 0.000 0.549 191 c N -0.850 117.782 118.600 0.053 0.000 3.316 191 c HA 0.220 4.829 4.570 0.065 0.000 0.360 191 c C -1.554 172.593 174.090 0.094 0.000 1.560 191 c CA -0.902 55.469 56.329 0.070 0.000 1.229 191 c CB 3.252 45.804 42.510 0.070 0.000 1.823 191 c HN 0.055 8.607 8.230 0.058 -0.288 0.440 192 Q N 1.268 121.131 119.800 0.106 0.000 2.330 192 Q HA -0.109 4.314 4.340 0.138 0.000 0.279 192 Q C 1.278 177.379 176.000 0.168 0.000 1.024 192 Q CA 2.052 57.934 55.803 0.132 0.000 0.900 192 Q CB 0.182 28.992 28.738 0.120 0.000 1.221 192 Q HN 0.685 9.012 8.270 0.096 0.000 0.396 193 G N 3.483 112.405 108.800 0.203 0.000 2.213 193 G HA2 -0.355 3.810 3.960 0.340 0.000 0.236 193 G HA3 -0.355 3.969 3.960 0.278 -0.196 0.236 193 G C -0.231 174.873 174.900 0.340 0.000 0.991 193 G CA 0.759 46.038 45.100 0.298 0.000 0.629 193 G HN 0.728 9.133 8.290 0.192 0.000 0.517 194 D N 0.593 121.122 120.400 0.215 0.000 2.333 194 D HA 0.020 4.789 4.640 0.214 0.000 0.208 194 D C 0.130 176.502 176.300 0.121 0.000 0.984 194 D CA 1.276 55.377 54.000 0.169 0.000 0.873 194 D CB 0.796 41.656 40.800 0.099 0.000 0.935 194 D HN -0.126 8.269 8.370 0.177 0.081 0.521 195 S N -1.029 114.736 115.700 0.109 0.000 2.558 195 S HA -0.318 4.301 4.470 0.041 -0.124 0.291 195 S C 1.211 175.798 174.600 -0.022 0.000 1.306 195 S CA 2.590 60.822 58.200 0.054 0.000 1.056 195 S CB -0.164 63.119 63.200 0.138 0.000 0.836 195 S HN -0.221 8.131 8.310 0.139 0.041 0.504 196 G N 4.372 113.132 108.800 -0.067 0.000 2.284 196 G HA2 -0.438 3.575 3.960 -0.094 0.000 0.247 196 G HA3 -0.438 3.531 3.960 -0.110 -0.075 0.247 196 G C -0.174 174.729 174.900 0.005 0.000 1.012 196 G CA 0.507 45.563 45.100 -0.073 0.000 0.618 196 G HN 0.656 8.801 8.290 -0.059 0.110 0.521 197 G N 0.942 109.771 108.800 0.048 0.000 2.588 197 G HA2 0.381 4.382 3.960 0.069 0.000 0.281 197 G HA3 0.381 4.445 3.960 0.059 -0.069 0.281 197 G C -2.651 172.254 174.900 0.010 0.000 1.236 197 G CA -1.994 43.138 45.100 0.052 0.000 0.969 197 G HN -0.458 7.772 8.290 0.056 0.094 0.504 198 P HA 0.379 4.859 4.420 -0.194 -0.177 0.281 198 P C -1.900 175.176 177.300 -0.373 0.000 1.249 198 P CA -1.205 61.717 63.100 -0.297 0.000 0.810 198 P CB 1.786 33.109 31.700 -0.629 0.000 1.008 199 L N 1.898 122.877 121.223 -0.408 0.000 2.280 199 L HA 0.338 4.543 4.340 -0.459 -0.140 0.287 199 L C -1.782 174.861 176.870 -0.379 0.000 1.023 199 L CA -1.538 52.993 54.840 -0.514 0.000 0.819 199 L CB 2.140 43.644 42.059 -0.926 0.000 1.212 199 L HN -0.195 7.850 8.230 -0.309 0.000 0.420 200 H N 6.475 125.470 119.070 -0.125 0.000 2.552 200 H HA 0.440 5.277 4.556 0.168 -0.181 0.311 200 H C -0.892 174.595 175.328 0.266 0.000 1.071 200 H CA -1.301 54.804 56.048 0.095 0.000 1.307 200 H CB 0.516 30.272 29.762 -0.010 0.000 1.416 200 H HN 0.332 8.486 8.280 -0.210 0.000 0.464 201 c N 3.419 122.249 118.600 0.383 0.000 2.455 201 c HA 0.482 5.303 4.570 0.196 -0.134 0.320 201 c C -1.321 172.812 174.090 0.072 0.000 1.226 201 c CA -0.711 55.703 56.329 0.141 0.000 1.569 201 c CB 2.423 44.779 42.510 -0.257 0.000 2.200 201 c HN 0.846 9.321 8.230 0.408 0.000 0.491 202 L N 4.392 125.521 121.223 -0.155 0.000 2.278 202 L HA 0.267 4.383 4.340 -0.611 -0.142 0.287 202 L C -1.324 175.422 176.870 -0.206 0.000 1.072 202 L CA -0.249 54.327 54.840 -0.442 0.000 0.819 202 L CB 0.677 42.388 42.059 -0.579 0.000 1.176 202 L HN -0.169 8.021 8.230 -0.067 0.000 0.435 203 V N 8.092 127.927 119.914 -0.131 0.000 2.569 203 V HA 0.163 4.241 4.120 -0.070 0.000 0.301 203 V C -0.520 175.553 176.094 -0.034 0.000 1.044 203 V CA -1.499 60.767 62.300 -0.056 0.000 0.874 203 V CB 2.378 34.210 31.823 0.014 0.000 1.002 203 V HN 0.444 8.554 8.190 -0.133 0.000 0.424 204 N N 8.291 126.972 118.700 -0.032 0.000 2.707 204 N HA -0.330 4.397 4.740 -0.022 0.000 0.253 204 N C 0.347 175.840 175.510 -0.028 0.000 0.998 204 N CA 0.830 53.868 53.050 -0.021 0.000 0.751 204 N CB -0.898 37.586 38.487 -0.004 0.000 0.920 204 N HN 0.784 9.143 8.380 -0.035 0.000 0.539 205 G N -5.669 103.098 108.800 -0.056 0.000 2.179 205 G HA2 -0.432 3.506 3.960 -0.036 0.000 0.260 205 G HA3 -0.432 3.484 3.960 -0.074 0.000 0.260 205 G C -1.423 173.436 174.900 -0.067 0.000 0.977 205 G CA -0.055 45.009 45.100 -0.061 0.000 0.641 205 G HN 0.091 8.313 8.290 -0.072 0.025 0.533 206 Q N 0.012 119.775 119.800 -0.062 0.000 2.340 206 Q HA 0.289 4.644 4.340 0.025 0.000 0.268 206 Q C -1.306 174.685 176.000 -0.015 0.000 1.031 206 Q CA -1.600 54.202 55.803 -0.002 0.000 0.804 206 Q CB 2.839 31.603 28.738 0.044 0.000 1.286 206 Q HN -0.595 7.465 8.270 -0.061 0.173 0.448 207 Y N 5.526 125.910 120.300 0.140 0.000 2.359 207 Y HA 0.166 5.054 4.550 0.227 -0.202 0.330 207 Y C -0.451 175.585 175.900 0.226 0.000 1.143 207 Y CA 1.247 59.480 58.100 0.222 0.000 1.318 207 Y CB 0.751 39.395 38.460 0.307 0.000 1.234 207 Y HN 0.466 8.907 8.280 0.270 0.000 0.522 208 A N 1.056 124.127 122.820 0.419 0.000 2.469 208 A HA 0.511 5.095 4.320 0.275 -0.099 0.299 208 A C -2.240 175.555 177.584 0.351 0.000 1.098 208 A CA -1.896 50.333 52.037 0.321 0.000 0.737 208 A CB 4.165 23.296 19.000 0.219 0.000 1.312 208 A HN 0.407 8.822 8.150 0.440 0.000 0.414 209 V N 1.465 121.484 119.914 0.176 0.000 2.338 209 V HA 0.115 4.436 4.120 0.044 -0.175 0.255 209 V C 0.394 176.488 176.094 -0.000 0.000 1.082 209 V CA -0.107 62.230 62.300 0.061 0.000 0.951 209 V CB -1.563 30.264 31.823 0.007 0.000 1.102 209 V HN 0.297 8.567 8.190 0.135 0.000 0.489 210 H N 7.124 126.159 119.070 -0.059 0.000 2.544 210 H HA 0.069 4.613 4.556 -0.020 0.000 0.269 210 H C -0.212 175.063 175.328 -0.088 0.000 0.970 210 H CA 1.953 57.964 56.048 -0.061 0.000 1.219 210 H CB 1.488 31.204 29.762 -0.077 0.000 1.421 210 H HN 0.085 8.492 8.280 0.213 0.000 0.555 211 G N -3.982 104.787 108.800 -0.052 0.000 2.612 211 G HA2 0.459 4.321 3.960 -0.164 0.000 0.298 211 G HA3 0.459 4.673 3.960 0.046 -0.226 0.298 211 G C -2.787 172.140 174.900 0.045 0.000 1.336 211 G CA -0.446 44.635 45.100 -0.033 0.000 0.953 211 G HN -0.730 7.506 8.290 -0.090 0.000 0.482 212 V N 2.846 122.842 119.914 0.137 0.000 2.378 212 V HA 0.630 5.006 4.120 0.085 -0.205 0.288 212 V C -0.158 176.033 176.094 0.161 0.000 1.016 212 V CA -2.639 59.722 62.300 0.102 0.000 0.840 212 V CB 1.615 33.435 31.823 -0.006 0.000 0.994 212 V HN 0.047 8.323 8.190 0.143 0.000 0.431 213 T N 10.464 125.122 114.554 0.172 0.000 2.871 213 T HA -0.135 3.959 4.350 -0.427 0.000 0.296 213 T C -0.394 174.237 174.700 -0.114 0.000 0.998 213 T CA 2.963 65.000 62.100 -0.104 0.000 1.162 213 T CB -0.177 68.659 68.868 -0.055 0.000 0.947 213 T HN 0.391 8.735 8.240 0.175 0.000 0.536 214 S N 7.054 122.621 115.700 -0.222 0.000 2.979 214 S HA 0.203 4.785 4.470 0.188 0.000 0.243 214 S C -1.068 173.623 174.600 0.152 0.000 1.036 214 S CA 0.416 58.641 58.200 0.041 0.000 0.846 214 S CB 2.291 65.523 63.200 0.054 0.000 0.806 214 S HN 0.318 8.335 8.310 -0.489 0.000 0.568 215 F N -4.127 115.700 119.950 -0.206 0.000 2.713 215 F HA 0.375 4.831 4.527 -0.117 0.000 0.311 215 F C -2.444 173.267 175.800 -0.149 0.000 1.141 215 F CA -1.103 56.794 58.000 -0.170 0.000 0.939 215 F CB 1.232 40.120 39.000 -0.186 0.000 1.325 215 F HN -0.491 7.467 8.300 -0.570 0.000 0.453 216 V N -2.317 117.732 119.914 0.225 0.000 5.886 216 V HA 0.457 4.777 4.120 0.333 0.000 0.121 216 V C -0.344 176.073 176.094 0.539 0.000 1.034 216 V CA -1.422 61.063 62.300 0.308 0.000 1.307 216 V CB 1.516 33.435 31.823 0.161 0.000 2.430 216 V HN 0.077 8.428 8.190 0.268 0.000 0.319 217 R N -0.737 119.849 120.500 0.143 0.000 2.279 217 R HA 0.128 4.517 4.340 0.080 0.000 0.195 217 R C 3.008 179.334 176.300 0.042 0.000 0.905 217 R CA 0.479 56.625 56.100 0.077 0.000 1.044 217 R CB 0.482 30.812 30.300 0.050 0.000 1.056 217 R HN 0.137 8.507 8.270 0.167 0.000 0.535 218 L N -0.888 120.348 121.223 0.021 0.000 2.156 218 L HA -0.121 4.218 4.340 -0.002 0.000 0.208 218 L C 0.084 176.958 176.870 0.007 0.000 1.095 218 L CA -0.082 54.757 54.840 -0.003 0.000 0.770 218 L CB 0.473 42.509 42.059 -0.039 0.000 0.914 218 L HN -0.066 8.176 8.230 0.019 0.000 0.439 219 G N -5.519 103.295 108.800 0.023 0.000 2.340 219 G HA2 0.084 4.054 3.960 0.015 0.000 0.298 219 G HA3 0.084 4.065 3.960 0.035 0.000 0.298 219 G C -1.080 173.849 174.900 0.049 0.000 1.498 219 G CA -0.667 44.450 45.100 0.029 0.000 0.847 219 G HN -0.946 7.366 8.290 0.036 0.000 0.594 220 c N 1.998 120.628 118.600 0.051 0.000 2.511 220 c HA -0.056 4.560 4.570 0.078 0.000 0.300 220 c C -1.238 172.883 174.090 0.051 0.000 1.393 220 c CA 0.544 56.909 56.329 0.061 0.000 1.637 220 c CB -2.586 39.958 42.510 0.057 0.000 1.637 220 c HN -0.113 8.144 8.230 0.044 0.000 0.595 221 V N -3.385 116.520 119.914 -0.015 0.000 2.323 221 V HA -0.083 4.005 4.120 -0.053 0.000 0.272 221 V C -2.311 173.729 176.094 -0.090 0.000 1.806 221 V CA -0.404 61.861 62.300 -0.059 0.000 0.734 221 V CB 0.965 32.736 31.823 -0.087 0.000 1.276 221 V HN -0.627 7.562 8.190 -0.001 0.000 0.470 222 T N 7.400 121.893 114.554 -0.102 0.000 2.928 222 T HA 0.043 4.520 4.350 -0.097 -0.185 0.305 222 T C 1.038 175.596 174.700 -0.238 0.000 1.035 222 T CA 2.053 64.076 62.100 -0.129 0.000 1.145 222 T CB 0.188 68.989 68.868 -0.112 0.000 0.963 222 T HN 0.232 8.418 8.240 -0.090 0.000 0.545 223 R N -1.063 119.252 120.500 -0.307 0.000 3.951 223 R HA -0.491 3.413 4.340 -0.727 0.000 0.352 223 R C -1.446 174.564 176.300 -0.484 0.000 1.178 223 R CA 2.083 57.802 56.100 -0.634 0.000 0.949 223 R CB -1.395 28.357 30.300 -0.914 0.000 1.452 223 R HN 0.381 8.524 8.270 -0.212 0.000 0.540 224 K N -1.922 118.302 120.400 -0.294 0.000 2.682 224 K HA 0.543 4.472 4.320 -0.651 0.000 0.189 224 K C -2.138 174.553 176.600 0.152 0.000 1.062 224 K CA -3.284 52.799 56.287 -0.339 0.000 0.997 224 K CB 0.322 32.519 32.500 -0.505 0.000 1.405 224 K HN -0.653 7.393 8.250 -0.214 0.076 0.588 225 P HA -0.099 4.526 4.420 0.211 -0.078 0.269 225 P C -0.039 177.462 177.300 0.335 0.000 1.217 225 P CA -0.209 63.083 63.100 0.320 0.000 0.783 225 P CB 0.640 32.531 31.700 0.320 0.000 0.898 226 T N 2.985 117.622 114.554 0.138 0.000 2.940 226 T HA -0.077 4.199 4.350 -0.124 0.000 0.309 226 T C -0.469 174.016 174.700 -0.357 0.000 1.056 226 T CA 2.436 64.461 62.100 -0.125 0.000 1.137 226 T CB 0.459 69.229 68.868 -0.164 0.000 0.976 226 T HN -0.167 8.165 8.240 0.153 0.000 0.547 227 V N 5.191 124.607 119.914 -0.830 0.000 2.459 227 V HA 0.388 4.346 4.120 -0.513 -0.147 0.295 227 V C -1.344 174.164 176.094 -0.977 0.000 1.029 227 V CA -0.665 61.065 62.300 -0.951 0.000 0.874 227 V CB 1.575 32.347 31.823 -1.751 0.000 0.985 227 V HN 0.139 7.801 8.190 -0.880 0.000 0.438 228 F N 5.801 125.557 119.950 -0.322 0.000 2.563 228 F HA 0.598 5.167 4.527 -0.170 -0.144 0.316 228 F C 0.185 175.908 175.800 -0.128 0.000 1.076 228 F CA -2.262 55.628 58.000 -0.183 0.000 0.921 228 F CB 4.059 42.986 39.000 -0.122 0.000 1.209 228 F HN 0.860 9.137 8.300 -0.038 0.000 0.462 229 T N 4.634 119.229 114.554 0.068 0.000 2.888 229 T HA -0.133 4.241 4.350 0.040 0.000 0.301 229 T C -0.181 174.581 174.700 0.103 0.000 1.001 229 T CA 2.017 64.139 62.100 0.037 0.000 1.147 229 T CB 0.214 69.023 68.868 -0.099 0.000 0.931 229 T HN 0.449 8.716 8.240 0.045 0.000 0.541 230 R N 8.284 128.871 120.500 0.146 0.000 2.291 230 R HA -0.018 4.529 4.340 0.110 -0.141 0.333 230 R C 1.408 177.832 176.300 0.206 0.000 1.082 230 R CA -0.098 56.086 56.100 0.140 0.000 0.948 230 R CB -0.071 30.285 30.300 0.093 0.000 1.009 230 R HN 0.100 8.465 8.270 0.157 0.000 0.460 231 V N 8.502 128.492 119.914 0.127 0.000 2.392 231 V HA -0.420 3.820 4.120 0.199 0.000 0.249 231 V C 1.305 177.478 176.094 0.131 0.000 1.059 231 V CA 3.828 66.208 62.300 0.134 0.000 1.051 231 V CB -0.479 31.360 31.823 0.027 0.000 0.658 231 V HN 0.067 8.307 8.190 0.084 0.000 0.455 232 S N -2.192 113.526 115.700 0.031 0.000 2.547 232 S HA -0.213 4.249 4.470 -0.012 0.000 0.235 232 S C 1.095 175.687 174.600 -0.013 0.000 0.980 232 S CA 2.234 60.429 58.200 -0.008 0.000 0.941 232 S CB -0.660 62.513 63.200 -0.045 0.000 0.763 232 S HN 0.255 8.554 8.310 0.014 0.019 0.532 233 A N 1.428 124.232 122.820 -0.027 0.000 2.169 233 A HA -0.030 4.171 4.320 -0.199 0.000 0.212 233 A C 0.408 177.745 177.584 -0.412 0.000 1.153 233 A CA 1.709 53.594 52.037 -0.252 0.000 0.756 233 A CB -0.011 18.750 19.000 -0.399 0.000 0.813 233 A HN -0.379 7.749 8.150 0.053 0.055 0.471 234 Y N -5.897 114.443 120.300 0.067 0.000 2.641 234 Y HA 0.197 4.866 4.550 0.200 0.000 0.248 234 Y C 0.221 176.242 175.900 0.202 0.000 1.170 234 Y CA -0.975 57.229 58.100 0.173 0.000 1.201 234 Y CB 0.893 39.470 38.460 0.194 0.000 1.232 234 Y HN -0.488 7.720 8.280 0.172 0.176 0.537 235 I N 0.135 120.811 120.570 0.178 0.000 2.208 235 I HA -0.479 3.760 4.170 0.115 0.000 0.245 235 I C 1.727 177.899 176.117 0.091 0.000 1.097 235 I CA 2.598 63.964 61.300 0.110 0.000 1.363 235 I CB -1.035 36.990 38.000 0.041 0.000 1.051 235 I HN -0.331 7.946 8.210 0.112 0.000 0.413 236 S N -0.998 114.758 115.700 0.094 0.000 2.368 236 S HA -0.313 4.169 4.470 0.021 0.000 0.225 236 S C 1.487 176.146 174.600 0.098 0.000 1.030 236 S CA 4.217 62.457 58.200 0.066 0.000 0.999 236 S CB -0.551 62.684 63.200 0.058 0.000 0.844 236 S HN 0.248 8.611 8.310 0.088 0.000 0.459 237 W N 2.434 123.763 121.300 0.048 0.000 2.333 237 W HA -0.306 4.368 4.660 0.023 0.000 0.316 237 W C 1.295 177.816 176.519 0.003 0.000 1.215 237 W CA 3.162 60.549 57.345 0.069 0.000 1.278 237 W CB 0.011 29.629 29.460 0.262 0.000 1.154 237 W HN -0.451 7.961 8.180 0.387 0.000 0.486 238 I N -1.619 118.936 120.570 -0.025 0.000 2.163 238 I HA -0.800 2.990 4.170 -0.634 0.000 0.243 238 I C 1.947 177.815 176.117 -0.415 0.000 1.085 238 I CA 4.487 65.597 61.300 -0.316 0.000 1.347 238 I CB -0.478 37.498 38.000 -0.039 0.000 1.044 238 I HN 0.081 8.470 8.210 0.299 0.000 0.408 239 N N -0.561 118.000 118.700 -0.231 0.000 2.120 239 N HA -0.298 4.292 4.740 -0.250 0.000 0.188 239 N C 2.479 177.828 175.510 -0.268 0.000 1.024 239 N CA 2.994 55.910 53.050 -0.223 0.000 0.852 239 N CB -0.700 37.715 38.487 -0.120 0.000 1.003 239 N HN -0.165 8.135 8.380 -0.132 0.000 0.424 240 N N 0.699 119.241 118.700 -0.264 0.000 2.166 240 N HA -0.229 4.397 4.740 -0.191 0.000 0.186 240 N C 2.286 177.578 175.510 -0.364 0.000 1.019 240 N CA 2.891 55.786 53.050 -0.258 0.000 0.856 240 N CB -0.311 38.059 38.487 -0.196 0.000 0.993 240 N HN 0.029 8.272 8.380 -0.228 0.000 0.426 241 V N 0.972 120.530 119.914 -0.592 0.000 2.307 241 V HA -0.358 3.486 4.120 -0.460 0.000 0.245 241 V C 2.024 177.766 176.094 -0.587 0.000 1.045 241 V CA 3.652 65.576 62.300 -0.626 0.000 1.024 241 V CB -0.341 30.903 31.823 -0.964 0.000 0.651 241 V HN -0.264 7.496 8.190 -0.717 0.000 0.449 242 I N -1.491 118.639 120.570 -0.735 0.000 2.315 242 I HA -0.463 3.087 4.170 -1.035 0.000 0.248 242 I C 2.436 178.386 176.117 -0.279 0.000 1.117 242 I CA 3.882 64.735 61.300 -0.745 0.000 1.404 242 I CB -0.558 36.953 38.000 -0.815 0.000 1.071 242 I HN -0.369 7.408 8.210 -0.722 0.000 0.419 243 A N -0.762 121.921 122.820 -0.228 0.000 2.015 243 A HA -0.145 4.127 4.320 -0.081 0.000 0.219 243 A C 0.491 178.033 177.584 -0.070 0.000 1.163 243 A CA 2.645 54.612 52.037 -0.115 0.000 0.646 243 A CB -0.429 18.505 19.000 -0.110 0.000 0.806 243 A HN -0.246 7.718 8.150 -0.281 0.017 0.448 244 S N -5.164 110.481 115.700 -0.091 0.000 2.540 244 S HA 0.063 4.516 4.470 -0.028 0.000 0.218 244 S C -0.076 174.531 174.600 0.013 0.000 0.977 244 S CA -0.279 57.894 58.200 -0.044 0.000 0.918 244 S CB 0.987 64.146 63.200 -0.068 0.000 0.806 244 S HN -0.461 7.620 8.310 -0.149 0.140 0.496 245 N N 0.000 118.742 118.700 0.070 0.000 1.763 245 N HA 0.000 4.825 4.740 0.141 0.000 0.220 245 N CA 0.000 53.175 53.050 0.209 0.000 0.885 245 N CB 0.000 38.734 38.487 0.412 0.000 1.341 245 N HN 0.000 8.336 8.380 0.038 0.067 0.667