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 1pq8_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGTSASAG DFPFIVSISR NGGPWCGGSL LNANTVLTAA HCVSGYAQSG DATA SEQUENCE FQIRAGSLSR TSGGITSSLS SVRVHPSYSG NNNDLAILKL STSIPSGGNI DATA SEQUENCE GYARLAASGS DPVAGSSATV AGWGATSEGG SSTPVNLLKV TVPIVSRATC DATA SEQUENCE RAQYGTSAIT NQMFCAGVSS GGKDSCQGDS GGPIVDSSNT LIGAVSWGNG DATA SEQUENCE CARPNYSGVY ASVGALRSFI DTYA 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 I HA 0.000 4.163 4.170 -0.011 0.000 0.288 16 I C 0.000 176.114 176.117 -0.006 0.000 1.063 16 I CA 0.000 61.289 61.300 -0.019 0.000 1.566 16 I CB 0.000 37.968 38.000 -0.054 0.000 1.214 17 V N 5.214 125.130 119.914 0.004 0.000 2.427 17 V HA 0.209 4.471 4.120 0.008 -0.137 0.286 17 V C 0.755 176.854 176.094 0.008 0.000 1.034 17 V CA -1.890 60.415 62.300 0.009 0.000 0.893 17 V CB 0.697 32.529 31.823 0.014 0.000 0.982 17 V HN 0.704 8.898 8.190 0.007 0.000 0.452 18 G N 6.909 115.714 108.800 0.007 0.000 2.160 18 G HA2 -0.403 3.561 3.960 0.007 0.000 0.251 18 G HA3 -0.403 3.717 3.960 0.010 -0.154 0.251 18 G C -1.006 173.896 174.900 0.004 0.000 1.008 18 G CA 0.653 45.758 45.100 0.007 0.000 0.724 18 G HN 0.846 9.140 8.290 0.007 0.000 0.514 19 G N -0.807 107.992 108.800 -0.003 0.000 2.849 19 G HA2 0.530 4.467 3.960 -0.000 0.000 0.174 19 G HA3 0.530 4.624 3.960 -0.014 -0.142 0.174 19 G C -1.784 173.112 174.900 -0.006 0.000 1.370 19 G CA -0.933 44.164 45.100 -0.006 0.000 1.040 19 G HN -0.573 7.714 8.290 -0.005 0.000 0.582 20 T N -0.497 114.051 114.554 -0.009 0.000 2.821 20 T HA 0.270 4.616 4.350 -0.007 0.000 0.306 20 T C -1.450 173.241 174.700 -0.015 0.000 1.313 20 T CA -2.170 59.925 62.100 -0.008 0.000 1.012 20 T CB 1.769 70.636 68.868 -0.002 0.000 1.298 20 T HN 0.246 8.481 8.240 -0.009 0.000 0.502 21 S N 2.726 118.418 115.700 -0.014 0.000 2.533 21 S HA 0.037 4.627 4.470 -0.034 -0.140 0.282 21 S C -0.000 174.591 174.600 -0.014 0.000 1.304 21 S CA 0.719 58.908 58.200 -0.020 0.000 1.063 21 S CB 0.575 63.769 63.200 -0.010 0.000 0.881 21 S HN 0.059 8.363 8.310 -0.010 0.000 0.493 22 A N 6.374 129.185 122.820 -0.015 0.000 2.407 22 A HA -0.088 4.345 4.320 0.020 -0.101 0.248 22 A C -0.756 176.816 177.584 -0.022 0.000 1.082 22 A CA -0.005 52.038 52.037 0.011 0.000 0.785 22 A CB 0.979 20.026 19.000 0.077 0.000 1.020 22 A HN -0.035 8.091 8.150 -0.040 0.000 0.489 23 S N 2.908 118.575 115.700 -0.056 0.000 2.632 23 S HA 0.061 4.510 4.470 -0.036 0.000 0.271 23 S C -0.536 174.026 174.600 -0.064 0.000 1.260 23 S CA -0.675 57.490 58.200 -0.058 0.000 1.010 23 S CB 1.575 64.731 63.200 -0.074 0.000 0.965 23 S HN 0.224 9.128 8.310 -0.081 -0.643 0.534 24 A N 2.088 124.884 122.820 -0.040 0.000 2.546 24 A HA -0.170 4.141 4.320 -0.014 0.000 0.243 24 A C 0.762 178.306 177.584 -0.068 0.000 1.063 24 A CA 1.751 53.768 52.037 -0.033 0.000 0.757 24 A CB -0.371 18.620 19.000 -0.015 0.000 0.991 24 A HN 0.314 8.445 8.150 -0.031 0.000 0.503 25 G N 2.970 111.724 108.800 -0.076 0.000 2.159 25 G HA2 -0.336 3.579 3.960 -0.075 0.000 0.256 25 G HA3 -0.336 3.574 3.960 -0.083 0.000 0.256 25 G C 0.273 175.051 174.900 -0.203 0.000 0.977 25 G CA 0.678 45.715 45.100 -0.106 0.000 0.652 25 G HN 0.350 8.614 8.290 -0.042 0.000 0.531 26 D N 0.407 120.623 120.400 -0.308 0.000 2.144 26 D HA -0.253 4.057 4.640 -0.549 0.000 0.199 26 D C -0.775 174.934 176.300 -0.986 0.000 0.984 26 D CA 3.003 56.602 54.000 -0.669 0.000 0.834 26 D CB 0.520 40.801 40.800 -0.864 0.000 0.955 26 D HN -0.247 7.866 8.370 -0.233 0.117 0.465 27 F N -5.871 113.937 119.950 -0.238 0.000 2.809 27 F HA 0.409 4.632 4.527 -0.506 0.000 0.369 27 F C -2.619 172.858 175.800 -0.538 0.000 1.225 27 F CA -2.852 54.836 58.000 -0.520 0.000 1.201 27 F CB 0.034 38.648 39.000 -0.644 0.000 1.527 27 F HN -0.517 7.605 8.300 -0.297 0.000 0.565 28 P HA -0.062 4.464 4.420 -0.054 -0.139 0.222 28 P C 0.502 177.799 177.300 -0.004 0.000 1.147 28 P CA 1.890 64.952 63.100 -0.063 0.000 0.790 28 P CB 0.194 31.908 31.700 0.022 0.000 0.780 29 F N -7.122 112.918 119.950 0.149 0.000 2.776 29 F HA 0.436 5.230 4.527 0.159 -0.172 0.300 29 F C -0.216 175.692 175.800 0.181 0.000 1.116 29 F CA -2.196 55.903 58.000 0.166 0.000 1.375 29 F CB -0.408 38.696 39.000 0.173 0.000 1.109 29 F HN -0.498 7.364 8.300 -0.527 0.121 0.585 30 I N 2.303 122.753 120.570 -0.201 0.000 2.634 30 I HA 0.200 4.605 4.170 0.137 -0.153 0.284 30 I C -0.934 175.309 176.117 0.211 0.000 1.124 30 I CA 0.120 61.438 61.300 0.030 0.000 1.417 30 I CB 1.658 39.605 38.000 -0.089 0.000 1.396 30 I HN -0.070 7.641 8.210 -0.398 0.261 0.571 31 V N 4.148 124.218 119.914 0.260 0.000 2.680 31 V HA 0.921 5.311 4.120 0.189 -0.156 0.309 31 V C -1.314 174.906 176.094 0.210 0.000 1.052 31 V CA -3.568 58.856 62.300 0.206 0.000 0.908 31 V CB 2.905 34.814 31.823 0.142 0.000 1.001 31 V HN 0.296 8.642 8.190 0.261 0.000 0.431 32 S N 2.964 118.593 115.700 -0.118 0.000 2.499 32 S HA 0.300 4.664 4.470 -0.177 0.000 0.279 32 S C -0.169 174.346 174.600 -0.142 0.000 1.219 32 S CA -1.218 56.729 58.200 -0.422 0.000 1.062 32 S CB 1.204 63.556 63.200 -1.412 0.000 0.978 32 S HN 0.099 8.308 8.310 -0.168 0.000 0.489 33 I N 6.109 126.681 120.570 0.004 0.000 2.359 33 I HA 0.371 4.766 4.170 0.096 -0.168 0.284 33 I C -0.659 175.569 176.117 0.185 0.000 1.018 33 I CA -0.978 60.397 61.300 0.125 0.000 1.173 33 I CB 0.483 38.599 38.000 0.193 0.000 1.326 33 I HN 0.565 8.783 8.210 0.014 0.000 0.462 34 S N 7.954 123.717 115.700 0.105 0.000 2.610 34 S HA 0.565 5.235 4.470 0.114 -0.132 0.273 34 S C -1.319 173.308 174.600 0.044 0.000 1.274 34 S CA 0.100 58.344 58.200 0.074 0.000 1.023 34 S CB 1.473 64.659 63.200 -0.023 0.000 0.962 34 S HN 0.356 8.702 8.310 0.060 0.000 0.523 35 R N 1.601 122.035 120.500 -0.111 0.000 2.538 35 R HA 0.457 4.653 4.340 -0.609 -0.222 0.292 35 R C -0.599 175.450 176.300 -0.419 0.000 1.008 35 R CA -0.742 55.044 56.100 -0.524 0.000 0.896 35 R CB 2.783 32.415 30.300 -1.112 0.000 1.187 35 R HN 0.271 8.522 8.270 -0.032 0.000 0.440 36 N N 5.916 124.366 118.700 -0.416 0.000 2.708 36 N HA -0.384 4.202 4.740 -0.258 0.000 0.249 36 N C -0.204 175.201 175.510 -0.175 0.000 1.097 36 N CA 1.572 54.452 53.050 -0.283 0.000 0.710 36 N CB -1.609 36.699 38.487 -0.299 0.000 1.032 36 N HN 0.983 9.075 8.380 -0.481 0.000 0.551 37 G N -6.388 102.325 108.800 -0.145 0.000 2.176 37 G HA2 -0.357 3.553 3.960 -0.082 0.000 0.253 37 G HA3 -0.357 3.553 3.960 -0.082 0.000 0.253 37 G C -0.655 174.206 174.900 -0.064 0.000 0.979 37 G CA 0.385 45.431 45.100 -0.090 0.000 0.641 37 G HN 0.316 8.466 8.290 -0.166 0.041 0.530 38 G N -0.172 108.593 108.800 -0.058 0.000 2.644 38 G HA2 0.545 4.499 3.960 -0.009 0.000 0.307 38 G HA3 0.545 4.506 3.960 0.002 0.000 0.307 38 G C -3.275 171.654 174.900 0.049 0.000 1.250 38 G CA -2.336 42.760 45.100 -0.006 0.000 0.996 38 G HN -0.395 7.670 8.290 -0.089 0.171 0.489 39 P HA -0.117 4.354 4.420 0.085 0.000 0.271 39 P C -1.904 175.567 177.300 0.285 0.000 1.216 39 P CA 0.368 63.544 63.100 0.127 0.000 0.771 39 P CB 0.687 32.449 31.700 0.104 0.000 0.864 40 W N 3.841 125.154 121.300 0.022 0.000 5.217 40 W HA 0.245 4.931 4.660 0.044 0.000 0.176 40 W C -1.737 174.835 176.519 0.089 0.000 1.081 40 W CA 0.444 57.820 57.345 0.053 0.000 1.972 40 W CB 2.162 31.658 29.460 0.061 0.000 0.649 40 W HN 0.100 8.431 8.180 0.252 0.000 1.057 41 C N -6.418 112.972 119.300 0.149 0.000 3.251 41 C HA 0.898 5.535 4.460 -0.012 -0.185 0.376 41 C C -1.887 173.192 174.990 0.149 0.000 1.791 41 C CA -1.995 57.044 59.018 0.034 0.000 1.163 41 C CB 2.391 30.077 27.740 -0.091 0.000 2.128 41 C HN -0.040 8.361 8.230 0.284 0.000 0.429 42 G N -1.922 106.963 108.800 0.141 0.000 2.816 42 G HA2 0.863 5.099 3.960 0.258 0.000 0.288 42 G HA3 0.863 4.974 3.960 0.251 0.000 0.288 42 G C -2.682 172.303 174.900 0.142 0.000 1.334 42 G CA -1.702 43.525 45.100 0.212 0.000 0.978 42 G HN 0.337 8.681 8.290 0.089 0.000 0.493 43 G N -3.906 104.998 108.800 0.173 0.000 2.548 43 G HA2 0.480 4.782 3.960 0.123 0.000 0.301 43 G HA3 0.480 4.514 3.960 0.123 0.000 0.301 43 G C -2.809 172.221 174.900 0.216 0.000 1.349 43 G CA 0.229 45.417 45.100 0.148 0.000 0.792 43 G HN -0.243 8.181 8.290 0.223 0.000 0.481 44 S N -0.627 115.205 115.700 0.221 0.000 2.594 44 S HA 0.576 5.498 4.470 0.502 -0.151 0.296 44 S C -1.490 173.259 174.600 0.250 0.000 1.124 44 S CA -0.631 57.777 58.200 0.346 0.000 1.011 44 S CB 3.297 66.667 63.200 0.284 0.000 1.016 44 S HN 0.236 8.644 8.310 0.164 0.000 0.485 45 L N 6.541 127.964 121.223 0.334 0.000 2.369 45 L HA 0.153 4.733 4.340 0.177 -0.134 0.279 45 L C -0.784 176.210 176.870 0.208 0.000 1.108 45 L CA -0.267 54.730 54.840 0.262 0.000 0.852 45 L CB 0.339 42.612 42.059 0.356 0.000 1.169 45 L HN 0.629 9.025 8.230 0.456 0.107 0.452 46 L N 5.899 127.145 121.223 0.039 0.000 2.249 46 L HA -0.052 4.274 4.340 -0.023 0.000 0.207 46 L C 0.058 176.765 176.870 -0.271 0.000 1.090 46 L CA 1.151 55.954 54.840 -0.062 0.000 0.802 46 L CB 0.444 42.452 42.059 -0.085 0.000 0.947 46 L HN 0.484 8.725 8.230 0.019 0.000 0.453 47 N N -5.711 112.683 118.700 -0.509 0.000 3.339 47 N HA 0.047 3.529 4.740 -2.097 0.000 0.275 47 N C -0.876 174.180 175.510 -0.757 0.000 1.514 47 N CA -0.434 51.981 53.050 -1.058 0.000 0.879 47 N CB 0.877 39.047 38.487 -0.529 0.000 1.557 47 N HN -0.912 7.280 8.380 -0.313 0.000 0.524 48 A N -3.539 118.952 122.820 -0.548 0.000 2.019 48 A HA -0.108 4.450 4.320 0.097 -0.179 0.219 48 A C 0.744 178.308 177.584 -0.032 0.000 1.164 48 A CA 2.614 54.602 52.037 -0.082 0.000 0.644 48 A CB -0.088 18.936 19.000 0.039 0.000 0.805 48 A HN 0.421 8.235 8.150 -0.559 0.000 0.449 49 N N -4.798 113.853 118.700 -0.081 0.000 2.238 49 N HA 0.342 5.078 4.740 -0.007 0.000 0.235 49 N C -1.946 173.541 175.510 -0.038 0.000 1.209 49 N CA -0.760 52.270 53.050 -0.034 0.000 0.879 49 N CB 2.622 41.087 38.487 -0.035 0.000 1.136 49 N HN -0.419 8.080 8.380 -0.136 -0.201 0.517 50 T N 2.312 116.831 114.554 -0.058 0.000 2.921 50 T HA 0.594 5.135 4.350 -0.035 -0.212 0.297 50 T C -2.143 172.546 174.700 -0.018 0.000 1.013 50 T CA -0.305 61.765 62.100 -0.049 0.000 0.990 50 T CB 3.056 71.875 68.868 -0.082 0.000 1.023 50 T HN -0.641 7.575 8.240 -0.078 -0.022 0.447 51 V N 5.618 125.533 119.914 0.002 0.000 2.555 51 V HA 0.695 5.031 4.120 0.055 -0.183 0.302 51 V C -2.332 173.775 176.094 0.021 0.000 1.038 51 V CA -1.996 60.324 62.300 0.033 0.000 0.887 51 V CB 3.273 35.124 31.823 0.046 0.000 0.991 51 V HN 0.739 8.924 8.190 -0.007 0.000 0.434 52 L N 7.698 128.947 121.223 0.044 0.000 2.295 52 L HA 0.863 5.401 4.340 0.046 -0.170 0.285 52 L C -1.386 175.519 176.870 0.059 0.000 1.035 52 L CA -1.539 53.332 54.840 0.051 0.000 0.806 52 L CB 2.488 44.581 42.059 0.056 0.000 1.214 52 L HN 0.636 8.903 8.230 0.061 0.000 0.426 53 T N 0.168 114.746 114.554 0.039 0.000 2.681 53 T HA 0.552 5.081 4.350 0.030 -0.160 0.296 53 T C -1.879 172.807 174.700 -0.024 0.000 1.157 53 T CA -2.665 59.441 62.100 0.010 0.000 1.025 53 T CB 2.870 71.720 68.868 -0.030 0.000 1.441 53 T HN 0.584 8.849 8.240 0.042 0.000 0.504 54 A N -0.666 122.102 122.820 -0.087 0.000 2.388 54 A HA 0.271 4.760 4.320 -0.076 -0.214 0.257 54 A C 0.987 178.434 177.584 -0.229 0.000 1.095 54 A CA -0.814 51.134 52.037 -0.148 0.000 0.791 54 A CB 0.738 19.589 19.000 -0.249 0.000 1.029 54 A HN 0.443 8.535 8.150 -0.097 0.000 0.489 55 A N 5.255 127.895 122.820 -0.300 0.000 1.908 55 A HA -0.349 3.750 4.320 -0.369 0.000 0.218 55 A C 1.077 178.467 177.584 -0.323 0.000 1.181 55 A CA 3.205 54.936 52.037 -0.509 0.000 0.627 55 A CB -0.444 17.786 19.000 -1.283 0.000 0.818 55 A HN 0.520 8.501 8.150 -0.268 0.008 0.445 56 H N -4.647 114.344 119.070 -0.132 0.000 2.491 56 H HA -0.174 4.480 4.556 0.164 0.000 0.290 56 H C 1.173 176.646 175.328 0.242 0.000 1.050 56 H CA 2.596 58.717 56.048 0.121 0.000 1.309 56 H CB -1.332 28.535 29.762 0.175 0.000 1.392 56 H HN -0.008 8.523 8.280 -0.075 -0.296 0.554 57 C N -2.511 116.670 119.300 -0.199 0.000 2.432 57 C HA -0.186 4.432 4.460 0.263 0.000 0.280 57 C C 1.486 176.809 174.990 0.556 0.000 1.353 57 C CA 3.059 62.171 59.018 0.156 0.000 1.766 57 C CB -1.225 26.481 27.740 -0.057 0.000 1.924 57 C HN -0.423 7.504 8.230 -0.449 0.034 0.509 58 V N -7.446 112.616 119.914 0.246 0.000 3.480 58 V HA 0.137 4.450 4.120 0.322 0.000 0.263 58 V C -0.283 175.893 176.094 0.137 0.000 1.442 58 V CA -0.258 62.128 62.300 0.144 0.000 1.053 58 V CB 1.471 33.143 31.823 -0.253 0.000 0.846 58 V HN -0.581 7.621 8.190 0.100 0.048 0.440 59 S N 2.707 118.408 115.700 0.002 0.000 2.525 59 S HA -0.156 4.293 4.470 -0.036 0.000 0.285 59 S C 1.077 175.516 174.600 -0.270 0.000 1.283 59 S CA 2.725 60.887 58.200 -0.063 0.000 1.072 59 S CB 0.086 63.318 63.200 0.053 0.000 0.867 59 S HN -0.129 8.191 8.310 0.016 0.000 0.492 60 G N 5.325 114.033 108.800 -0.154 0.000 2.225 60 G HA2 -0.299 3.637 3.960 -0.040 0.000 0.267 60 G HA3 -0.299 3.572 3.960 -0.149 0.000 0.267 60 G C -1.022 173.816 174.900 -0.105 0.000 1.024 60 G CA 0.795 45.819 45.100 -0.125 0.000 0.784 60 G HN 0.338 8.592 8.290 -0.060 0.000 0.507 61 Y N -0.907 119.485 120.300 0.152 0.000 2.496 61 Y HA -0.008 4.589 4.550 0.077 0.000 0.331 61 Y C -1.104 174.877 175.900 0.135 0.000 1.140 61 Y CA -2.273 55.912 58.100 0.142 0.000 1.166 61 Y CB 1.464 40.070 38.460 0.243 0.000 1.249 61 Y HN -0.794 7.308 8.280 0.002 0.179 0.479 62 A N 1.115 124.060 122.820 0.208 0.000 2.515 62 A HA -0.018 4.366 4.320 0.106 0.000 0.263 62 A C 0.861 178.540 177.584 0.159 0.000 1.096 62 A CA 0.781 52.879 52.037 0.102 0.000 0.769 62 A CB 0.159 19.154 19.000 -0.008 0.000 1.040 62 A HN 0.196 8.450 8.150 0.174 0.000 0.505 63 Q N 4.290 124.215 119.800 0.209 0.000 2.364 63 Q HA -0.297 4.409 4.340 0.609 0.000 0.207 63 Q C 0.880 177.015 176.000 0.226 0.000 0.970 63 Q CA 2.741 58.740 55.803 0.326 0.000 0.888 63 Q CB -0.446 28.404 28.738 0.186 0.000 0.951 63 Q HN 0.704 9.067 8.270 0.154 0.000 0.469 64 S N -1.773 113.969 115.700 0.071 0.000 2.474 64 S HA -0.163 4.327 4.470 0.034 0.000 0.235 64 S C 1.136 175.685 174.600 -0.084 0.000 0.997 64 S CA 1.638 59.841 58.200 0.006 0.000 0.949 64 S CB -0.615 62.574 63.200 -0.018 0.000 0.766 64 S HN -0.104 8.215 8.310 0.058 0.025 0.517 65 G N -0.903 107.757 108.800 -0.232 0.000 2.572 65 G HA2 -0.013 3.746 3.960 -0.334 0.000 0.216 65 G HA3 -0.013 3.552 3.960 -0.657 0.000 0.216 65 G C -0.729 173.852 174.900 -0.533 0.000 1.133 65 G CA 0.357 45.177 45.100 -0.467 0.000 0.791 65 G HN -0.615 7.430 8.290 -0.209 0.120 0.538 66 F N -0.187 119.701 119.950 -0.102 0.000 2.399 66 F HA 0.690 5.377 4.527 -0.112 -0.227 0.334 66 F C -1.414 174.355 175.800 -0.050 0.000 1.097 66 F CA -0.839 57.111 58.000 -0.082 0.000 1.076 66 F CB 2.264 41.241 39.000 -0.038 0.000 1.162 66 F HN -0.576 7.644 8.300 -0.031 0.061 0.495 67 Q N 1.560 121.440 119.800 0.134 0.000 2.285 67 Q HA 0.493 5.009 4.340 0.074 -0.132 0.269 67 Q C -1.777 174.262 176.000 0.065 0.000 1.030 67 Q CA -1.288 54.556 55.803 0.069 0.000 0.788 67 Q CB 4.473 33.215 28.738 0.008 0.000 1.266 67 Q HN 0.252 8.607 8.270 0.141 0.000 0.438 68 I N 6.039 126.641 120.570 0.053 0.000 2.440 68 I HA 0.696 5.251 4.170 0.035 -0.365 0.294 68 I C -1.285 174.837 176.117 0.008 0.000 0.995 68 I CA -1.696 59.626 61.300 0.037 0.000 1.306 68 I CB 1.644 39.675 38.000 0.051 0.000 1.407 68 I HN 0.674 8.918 8.210 0.056 0.000 0.501 69 R N 6.069 126.557 120.500 -0.020 0.000 2.575 69 R HA 0.670 5.191 4.340 -0.002 -0.183 0.293 69 R C -2.301 174.007 176.300 0.013 0.000 0.983 69 R CA -1.753 54.332 56.100 -0.024 0.000 0.887 69 R CB 4.044 34.294 30.300 -0.084 0.000 1.184 69 R HN 0.289 8.538 8.270 -0.035 0.000 0.445 70 A N 3.938 126.787 122.820 0.049 0.000 2.356 70 A HA 0.718 5.103 4.320 0.110 0.000 0.323 70 A C -1.057 176.573 177.584 0.076 0.000 1.119 70 A CA -2.316 49.773 52.037 0.087 0.000 0.790 70 A CB 3.288 22.352 19.000 0.107 0.000 1.273 70 A HN 0.479 8.654 8.150 0.042 0.000 0.452 71 G N -0.528 108.326 108.800 0.089 0.000 2.136 71 G HA2 -0.452 3.544 3.960 0.059 0.000 0.242 71 G HA3 -0.452 3.540 3.960 0.052 0.000 0.242 71 G C -1.447 173.498 174.900 0.075 0.000 0.989 71 G CA 0.384 45.524 45.100 0.067 0.000 0.682 71 G HN 0.649 9.002 8.290 0.106 0.000 0.522 72 S N -1.849 113.920 115.700 0.115 0.000 2.549 72 S HA 0.217 4.748 4.470 0.102 0.000 0.280 72 S C -0.217 174.529 174.600 0.244 0.000 1.109 72 S CA -2.204 56.074 58.200 0.130 0.000 0.905 72 S CB 1.326 64.579 63.200 0.088 0.000 1.081 72 S HN -0.551 7.804 8.310 0.139 0.039 0.477 73 L N 2.194 123.548 121.223 0.217 0.000 2.395 73 L HA 0.046 4.580 4.340 0.323 0.000 0.218 73 L C 0.343 177.499 176.870 0.476 0.000 1.130 73 L CA 0.511 55.527 54.840 0.292 0.000 0.826 73 L CB 0.045 42.195 42.059 0.152 0.000 0.941 73 L HN 0.393 8.715 8.230 0.154 0.000 0.451 74 S N -3.506 112.386 115.700 0.320 0.000 2.608 74 S HA 0.399 5.322 4.470 0.382 -0.224 0.291 74 S C -0.202 174.358 174.600 -0.067 0.000 1.146 74 S CA -1.432 56.906 58.200 0.230 0.000 1.043 74 S CB 2.621 65.884 63.200 0.104 0.000 1.037 74 S HN -0.634 7.769 8.310 0.219 0.038 0.520 75 R N 1.270 121.559 120.500 -0.352 0.000 2.236 75 R HA -0.022 3.839 4.340 -0.799 0.000 0.208 75 R C 0.894 177.035 176.300 -0.264 0.000 1.036 75 R CA 2.213 57.962 56.100 -0.585 0.000 1.001 75 R CB 0.867 30.790 30.300 -0.628 0.000 0.896 75 R HN 0.108 8.244 8.270 -0.223 0.000 0.464 76 T N -7.113 107.360 114.554 -0.134 0.000 3.043 76 T HA 0.223 4.520 4.350 -0.089 0.000 0.272 76 T C -1.005 173.668 174.700 -0.044 0.000 0.990 76 T CA -0.827 61.226 62.100 -0.078 0.000 0.897 76 T CB 1.368 70.206 68.868 -0.051 0.000 1.111 76 T HN -0.281 7.838 8.240 -0.110 0.056 0.529 77 S N -0.564 115.117 115.700 -0.031 0.000 2.615 77 S HA 0.060 4.521 4.470 -0.016 0.000 0.269 77 S C -1.511 173.089 174.600 0.001 0.000 1.161 77 S CA -0.407 57.787 58.200 -0.011 0.000 0.817 77 S CB 1.875 65.075 63.200 0.000 0.000 1.131 77 S HN -0.826 7.463 8.310 -0.034 0.000 0.467 78 G N -0.882 107.922 108.800 0.007 0.000 2.781 78 G HA2 -0.331 3.639 3.960 0.017 0.000 0.683 78 G HA3 -0.331 3.645 3.960 0.026 0.000 0.683 78 G C -0.506 174.405 174.900 0.017 0.000 1.390 78 G CA -0.198 44.913 45.100 0.017 0.000 0.850 78 G HN 0.275 8.567 8.290 0.004 0.000 0.557 79 G N 0.394 109.208 108.800 0.024 0.000 2.569 79 G HA2 -0.382 3.596 3.960 0.030 0.000 0.259 79 G HA3 -0.382 3.792 3.960 0.033 -0.193 0.259 79 G C -0.885 174.028 174.900 0.023 0.000 1.263 79 G CA 0.113 45.230 45.100 0.028 0.000 0.928 79 G HN 0.031 8.335 8.290 0.024 0.000 0.572 80 I N 3.187 123.774 120.570 0.028 0.000 2.533 80 I HA 0.296 4.480 4.170 0.023 0.000 0.290 80 I C -0.989 175.144 176.117 0.026 0.000 1.056 80 I CA -0.998 60.319 61.300 0.028 0.000 1.057 80 I CB 2.937 40.961 38.000 0.039 0.000 1.240 80 I HN 0.127 8.356 8.210 0.033 0.000 0.423 81 T N 3.551 118.116 114.554 0.019 0.000 2.945 81 T HA 0.913 5.469 4.350 0.015 -0.196 0.286 81 T C -0.713 174.001 174.700 0.024 0.000 1.025 81 T CA -1.871 60.238 62.100 0.015 0.000 1.039 81 T CB 1.719 70.588 68.868 0.003 0.000 1.068 81 T HN 0.127 8.377 8.240 0.017 0.000 0.497 82 S N 1.422 117.138 115.700 0.027 0.000 2.537 82 S HA 0.189 4.675 4.470 0.027 0.000 0.270 82 S C -1.485 173.136 174.600 0.036 0.000 1.142 82 S CA -0.879 57.339 58.200 0.031 0.000 0.870 82 S CB 2.336 65.558 63.200 0.037 0.000 1.112 82 S HN 0.380 8.706 8.310 0.026 0.000 0.466 83 S N 4.164 119.884 115.700 0.034 0.000 2.661 83 S HA 0.355 4.859 4.470 0.057 0.000 0.265 83 S C -0.538 174.092 174.600 0.049 0.000 1.225 83 S CA -0.203 58.024 58.200 0.045 0.000 0.986 83 S CB 1.348 64.568 63.200 0.033 0.000 1.008 83 S HN -0.085 8.242 8.310 0.028 0.000 0.565 84 L N -0.871 120.390 121.223 0.063 0.000 2.309 84 L HA 0.327 4.813 4.340 0.035 -0.125 0.282 84 L C 0.916 177.808 176.870 0.037 0.000 1.036 84 L CA -0.551 54.318 54.840 0.049 0.000 0.806 84 L CB 1.167 43.263 42.059 0.061 0.000 1.220 84 L HN 0.506 8.783 8.230 0.078 0.000 0.429 85 S N 3.086 118.800 115.700 0.022 0.000 2.475 85 S HA 0.100 4.582 4.470 0.020 0.000 0.224 85 S C -0.536 174.072 174.600 0.013 0.000 1.042 85 S CA 0.808 59.018 58.200 0.017 0.000 0.935 85 S CB 1.160 64.367 63.200 0.011 0.000 0.801 85 S HN 0.751 8.966 8.310 0.018 0.106 0.509 86 S N -2.843 112.860 115.700 0.005 0.000 2.588 86 S HA 0.190 4.805 4.470 0.005 -0.142 0.269 86 S C -2.337 172.253 174.600 -0.017 0.000 1.157 86 S CA -0.454 57.744 58.200 -0.002 0.000 0.824 86 S CB 2.325 65.520 63.200 -0.008 0.000 1.126 86 S HN -0.664 7.648 8.310 0.003 0.000 0.464 87 V N 0.330 120.230 119.914 -0.023 0.000 2.638 87 V HA 0.452 4.683 4.120 -0.047 -0.138 0.306 87 V C -0.746 175.324 176.094 -0.041 0.000 1.052 87 V CA -0.642 61.635 62.300 -0.039 0.000 0.885 87 V CB 2.971 34.768 31.823 -0.043 0.000 0.999 87 V HN 0.170 8.350 8.190 -0.016 0.000 0.424 88 R N 8.217 128.696 120.500 -0.036 0.000 2.473 88 R HA 0.389 4.695 4.340 -0.056 0.000 0.303 88 R C -1.784 174.551 176.300 0.059 0.000 1.002 88 R CA -1.229 54.850 56.100 -0.035 0.000 0.884 88 R CB 2.701 32.921 30.300 -0.133 0.000 1.173 88 R HN 0.515 8.770 8.270 -0.025 0.000 0.464 89 V N 3.320 123.221 119.914 -0.022 0.000 2.953 89 V HA 0.145 4.319 4.120 -0.089 -0.107 0.304 89 V C -0.575 175.361 176.094 -0.264 0.000 1.073 89 V CA -1.767 60.470 62.300 -0.105 0.000 1.064 89 V CB 1.175 32.910 31.823 -0.147 0.000 1.047 89 V HN 0.209 8.375 8.190 -0.041 0.000 0.478 90 H N 4.992 123.651 119.070 -0.684 0.000 3.064 90 H HA -0.057 3.189 4.556 -2.183 0.000 0.329 90 H C 0.611 175.676 175.328 -0.438 0.000 1.020 90 H CA 1.230 56.607 56.048 -1.118 0.000 1.402 90 H CB 1.017 30.299 29.762 -0.801 0.000 1.379 90 H HN -0.137 7.904 8.280 -0.398 0.000 0.594 91 P HA -0.027 4.335 4.420 -0.096 0.000 0.228 91 P C -0.496 176.826 177.300 0.036 0.000 1.151 91 P CA 1.553 64.571 63.100 -0.137 0.000 0.770 91 P CB 0.279 31.902 31.700 -0.127 0.000 0.786 92 S N -3.633 112.189 115.700 0.204 0.000 2.650 92 S HA 0.055 4.579 4.470 0.091 0.000 0.240 92 S C -0.856 173.820 174.600 0.127 0.000 1.007 92 S CA -0.592 57.712 58.200 0.173 0.000 0.984 92 S CB 0.828 64.133 63.200 0.176 0.000 0.910 92 S HN -0.663 7.817 8.310 0.411 0.076 0.509 93 Y N 4.644 124.943 120.300 -0.002 0.000 2.721 93 Y HA -0.090 4.611 4.550 -0.090 -0.205 0.329 93 Y C -0.346 175.517 175.900 -0.061 0.000 1.211 93 Y CA 1.046 59.110 58.100 -0.060 0.000 1.512 93 Y CB 0.307 38.734 38.460 -0.056 0.000 1.249 93 Y HN -0.657 7.615 8.280 0.259 0.163 0.549 94 S N 7.662 123.088 115.700 -0.457 0.000 2.605 94 S HA 0.103 4.245 4.470 -0.548 0.000 0.279 94 S C -0.762 173.565 174.600 -0.455 0.000 1.166 94 S CA 0.024 57.950 58.200 -0.457 0.000 0.975 94 S CB 0.857 63.925 63.200 -0.221 0.000 1.111 94 S HN 0.132 8.236 8.310 -0.344 0.000 0.465 95 G N 7.498 116.002 108.800 -0.493 0.000 2.611 95 G HA2 -0.396 3.347 3.960 -0.361 0.000 0.301 95 G HA3 -0.396 3.359 3.960 -0.342 0.000 0.301 95 G C -0.871 173.794 174.900 -0.391 0.000 1.233 95 G CA 0.755 45.618 45.100 -0.395 0.000 0.993 95 G HN 0.116 8.099 8.290 -0.512 0.000 0.553 96 N N 3.609 122.065 118.700 -0.408 0.000 2.412 96 N HA -0.139 4.440 4.740 -0.268 0.000 0.184 96 N C -1.195 174.239 175.510 -0.126 0.000 1.101 96 N CA 0.227 53.038 53.050 -0.398 0.000 0.881 96 N CB 0.231 38.067 38.487 -1.086 0.000 0.969 96 N HN 0.106 8.213 8.380 -0.455 0.000 0.459 97 N N -0.198 118.430 118.700 -0.120 0.000 2.514 97 N HA -0.037 4.702 4.740 -0.001 0.000 0.277 97 N C -0.915 174.623 175.510 0.047 0.000 1.126 97 N CA 0.546 53.575 53.050 -0.035 0.000 0.978 97 N CB 1.059 39.499 38.487 -0.077 0.000 1.106 97 N HN -0.571 7.617 8.380 -0.200 0.072 0.461 98 N N -0.578 118.117 118.700 -0.008 0.000 2.756 98 N HA -0.379 4.230 4.740 -0.218 0.000 0.248 98 N C -1.436 174.068 175.510 -0.010 0.000 1.062 98 N CA 1.390 54.350 53.050 -0.150 0.000 0.696 98 N CB -1.081 37.179 38.487 -0.378 0.000 0.946 98 N HN 0.813 9.188 8.380 -0.008 0.000 0.548 99 D N -0.326 120.113 120.400 0.065 0.000 2.845 99 D HA 0.050 4.662 4.640 -0.047 0.000 0.235 99 D C -1.751 174.520 176.300 -0.048 0.000 1.158 99 D CA -0.572 53.455 54.000 0.046 0.000 0.990 99 D CB -0.834 40.093 40.800 0.212 0.000 1.094 99 D HN 0.137 8.548 8.370 0.069 0.000 0.486 100 L N -0.106 121.053 121.223 -0.106 0.000 2.371 100 L HA 0.968 5.697 4.340 0.004 -0.386 0.262 100 L C -2.383 174.478 176.870 -0.015 0.000 1.006 100 L CA -1.460 53.382 54.840 0.004 0.000 0.818 100 L CB 4.956 47.123 42.059 0.181 0.000 1.354 100 L HN -0.456 7.609 8.230 -0.155 0.072 0.415 101 A N -0.349 122.519 122.820 0.080 0.000 2.515 101 A HA 0.855 5.447 4.320 0.219 -0.141 0.298 101 A C -2.298 175.377 177.584 0.153 0.000 1.059 101 A CA -1.592 50.516 52.037 0.118 0.000 0.698 101 A CB 4.230 23.198 19.000 -0.053 0.000 1.289 101 A HN 1.097 9.191 8.150 0.071 0.099 0.404 102 I N 1.243 121.901 120.570 0.146 0.000 2.321 102 I HA 0.565 4.888 4.170 0.003 -0.151 0.291 102 I C -1.288 174.816 176.117 -0.021 0.000 0.998 102 I CA -2.031 59.273 61.300 0.007 0.000 1.227 102 I CB 0.885 38.810 38.000 -0.124 0.000 1.368 102 I HN 0.332 8.680 8.210 0.230 0.000 0.466 103 L N 7.413 128.618 121.223 -0.030 0.000 2.307 103 L HA 0.548 5.019 4.340 -0.044 -0.158 0.284 103 L C -0.558 176.296 176.870 -0.027 0.000 1.023 103 L CA -1.534 53.283 54.840 -0.038 0.000 0.810 103 L CB 1.736 43.766 42.059 -0.048 0.000 1.231 103 L HN 0.827 9.044 8.230 -0.022 0.000 0.423 104 K N 2.272 122.659 120.400 -0.022 0.000 2.159 104 K HA 0.711 5.227 4.320 -0.017 -0.207 0.266 104 K C -0.614 175.985 176.600 -0.001 0.000 0.975 104 K CA -2.641 53.638 56.287 -0.013 0.000 0.865 104 K CB 2.024 34.517 32.500 -0.012 0.000 1.087 104 K HN 0.173 8.410 8.250 -0.023 0.000 0.446 105 L N 3.711 124.936 121.223 0.004 0.000 2.307 105 L HA 0.361 4.845 4.340 0.020 -0.133 0.282 105 L C 1.901 178.781 176.870 0.016 0.000 1.051 105 L CA -0.992 53.858 54.840 0.016 0.000 0.804 105 L CB 0.780 42.853 42.059 0.023 0.000 1.197 105 L HN 0.218 8.447 8.230 -0.002 0.000 0.431 106 S N 3.597 119.309 115.700 0.021 0.000 2.423 106 S HA -0.209 4.270 4.470 0.016 0.000 0.231 106 S C 0.760 175.372 174.600 0.019 0.000 1.014 106 S CA 2.879 61.090 58.200 0.019 0.000 0.965 106 S CB 0.468 63.680 63.200 0.020 0.000 0.785 106 S HN 0.504 8.829 8.310 0.024 0.000 0.495 107 T N 5.625 120.193 114.554 0.024 0.000 2.809 107 T HA 0.118 4.483 4.350 0.024 0.000 0.284 107 T C -1.442 173.279 174.700 0.034 0.000 0.992 107 T CA -0.408 61.708 62.100 0.027 0.000 0.957 107 T CB 1.759 70.644 68.868 0.027 0.000 0.942 107 T HN -0.540 7.681 8.240 0.026 0.034 0.439 108 S N 5.928 121.649 115.700 0.035 0.000 2.564 108 S HA 0.021 4.772 4.470 0.043 -0.255 0.278 108 S C -0.310 174.332 174.600 0.069 0.000 1.333 108 S CA 1.042 59.270 58.200 0.047 0.000 1.048 108 S CB 0.807 64.031 63.200 0.040 0.000 0.900 108 S HN 0.270 8.599 8.310 0.030 0.000 0.505 109 I N 4.973 125.606 120.570 0.106 0.000 2.382 109 I HA 0.392 4.621 4.170 0.099 0.000 0.285 109 I C -1.890 174.346 176.117 0.198 0.000 1.007 109 I CA -3.215 58.165 61.300 0.133 0.000 1.142 109 I CB 1.721 39.807 38.000 0.144 0.000 1.289 109 I HN 0.350 8.514 8.210 0.109 0.111 0.453 110 P HA 0.326 4.866 4.420 0.199 0.000 0.278 110 P C -1.090 176.222 177.300 0.021 0.000 1.238 110 P CA -1.074 62.100 63.100 0.124 0.000 0.794 110 P CB 0.574 32.313 31.700 0.065 0.000 0.955 111 S N 1.820 117.449 115.700 -0.118 0.000 2.592 111 S HA -0.236 4.108 4.470 -0.355 -0.088 0.271 111 S C 0.086 174.602 174.600 -0.140 0.000 1.326 111 S CA 0.476 58.475 58.200 -0.335 0.000 1.024 111 S CB 0.740 63.530 63.200 -0.682 0.000 0.921 111 S HN -0.164 8.131 8.310 -0.024 0.000 0.527 112 G N 3.203 111.928 108.800 -0.126 0.000 2.316 112 G HA2 -0.181 3.741 3.960 -0.064 0.000 0.468 112 G HA3 -0.181 3.750 3.960 -0.048 0.000 0.468 112 G C -1.303 173.569 174.900 -0.047 0.000 1.523 112 G CA -0.766 44.294 45.100 -0.066 0.000 0.972 112 G HN 0.380 8.575 8.290 -0.158 0.000 0.667 113 G N 1.646 110.426 108.800 -0.034 0.000 2.550 113 G HA2 -0.358 3.590 3.960 -0.020 0.000 0.277 113 G HA3 -0.358 3.591 3.960 -0.017 0.000 0.277 113 G C -0.902 173.981 174.900 -0.027 0.000 1.190 113 G CA 0.203 45.288 45.100 -0.023 0.000 0.971 113 G HN 0.182 8.452 8.290 -0.033 0.000 0.559 114 N N 2.763 121.453 118.700 -0.017 0.000 2.370 114 N HA 0.085 4.810 4.740 -0.025 0.000 0.198 114 N C -1.111 174.392 175.510 -0.012 0.000 1.156 114 N CA 0.193 53.233 53.050 -0.016 0.000 0.839 114 N CB 0.106 38.591 38.487 -0.004 0.000 0.989 114 N HN 0.167 8.540 8.380 -0.011 0.000 0.468 115 I N -0.695 119.860 120.570 -0.025 0.000 2.377 115 I HA 0.331 4.704 4.170 0.003 -0.201 0.293 115 I C -1.071 174.983 176.117 -0.106 0.000 0.987 115 I CA -0.876 60.405 61.300 -0.031 0.000 1.185 115 I CB 1.988 39.977 38.000 -0.019 0.000 1.341 115 I HN -0.594 7.523 8.210 -0.031 0.075 0.455 116 G N 4.475 113.224 108.800 -0.085 0.000 2.687 116 G HA2 0.399 4.098 3.960 -0.435 0.000 0.291 116 G HA3 0.399 4.313 3.960 -0.075 0.000 0.291 116 G C -2.573 172.309 174.900 -0.030 0.000 1.420 116 G CA -0.819 44.165 45.100 -0.193 0.000 0.796 116 G HN -0.289 7.896 8.290 0.009 0.110 0.485 117 Y N -1.798 118.598 120.300 0.161 0.000 2.420 117 Y HA 0.511 5.321 4.550 0.176 -0.154 0.334 117 Y C 0.063 176.008 175.900 0.076 0.000 1.094 117 Y CA -2.697 55.483 58.100 0.133 0.000 1.126 117 Y CB 1.828 40.323 38.460 0.059 0.000 1.217 117 Y HN 0.085 8.299 8.280 -0.109 0.000 0.462 118 A N 2.239 125.099 122.820 0.067 0.000 2.425 118 A HA 0.038 3.975 4.320 -0.638 0.000 0.249 118 A C -0.684 176.789 177.584 -0.185 0.000 1.084 118 A CA -0.169 51.611 52.037 -0.430 0.000 0.781 118 A CB 0.975 19.502 19.000 -0.787 0.000 1.019 118 A HN 0.181 8.410 8.150 0.132 0.000 0.490 119 R N 1.940 122.332 120.500 -0.181 0.000 2.297 119 R HA 0.226 4.529 4.340 -0.062 0.000 0.308 119 R C -1.197 175.028 176.300 -0.125 0.000 1.029 119 R CA -0.857 55.187 56.100 -0.093 0.000 0.929 119 R CB 1.402 31.681 30.300 -0.034 0.000 1.046 119 R HN 0.389 8.532 8.270 -0.212 0.000 0.461 120 L N 2.732 123.905 121.223 -0.084 0.000 2.343 120 L HA 0.381 4.669 4.340 -0.086 0.000 0.275 120 L C 0.265 177.111 176.870 -0.039 0.000 1.056 120 L CA -1.307 53.493 54.840 -0.067 0.000 0.804 120 L CB 1.575 43.606 42.059 -0.046 0.000 1.203 120 L HN 0.382 8.574 8.230 -0.064 0.000 0.440 121 A N 0.769 123.571 122.820 -0.031 0.000 2.531 121 A HA -0.072 4.229 4.320 -0.033 0.000 0.236 121 A C -0.588 176.986 177.584 -0.015 0.000 1.062 121 A CA 0.232 52.252 52.037 -0.027 0.000 0.760 121 A CB 0.859 19.840 19.000 -0.031 0.000 0.995 121 A HN 0.013 8.144 8.150 -0.031 0.000 0.501 122 A N 2.452 125.262 122.820 -0.018 0.000 2.520 122 A HA -0.148 4.167 4.320 -0.008 0.000 0.235 122 A C 0.073 177.658 177.584 0.001 0.000 1.065 122 A CA 0.112 52.143 52.037 -0.009 0.000 0.764 122 A CB 0.363 19.356 19.000 -0.012 0.000 1.002 122 A HN 0.302 8.437 8.150 -0.024 0.000 0.502 123 S N 2.055 117.759 115.700 0.008 0.000 2.546 123 S HA -0.485 4.132 4.470 0.030 -0.129 0.290 123 S C 1.908 176.518 174.600 0.017 0.000 1.290 123 S CA 1.286 59.498 58.200 0.020 0.000 1.069 123 S CB -0.121 63.091 63.200 0.020 0.000 0.846 123 S HN 0.021 8.334 8.310 0.004 0.000 0.495 124 G N 7.422 116.238 108.800 0.025 0.000 2.199 124 G HA2 -0.396 3.581 3.960 0.029 0.000 0.254 124 G HA3 -0.396 3.574 3.960 0.018 0.000 0.254 124 G C -0.423 174.482 174.900 0.009 0.000 0.982 124 G CA -0.115 44.997 45.100 0.021 0.000 0.632 124 G HN 0.339 8.650 8.290 0.035 0.000 0.529 125 S N 0.961 116.660 115.700 -0.003 0.000 2.593 125 S HA 0.018 4.474 4.470 -0.023 0.000 0.269 125 S C -1.312 173.267 174.600 -0.035 0.000 1.334 125 S CA 0.310 58.496 58.200 -0.025 0.000 1.015 125 S CB 1.619 64.796 63.200 -0.040 0.000 0.912 125 S HN -0.414 7.822 8.310 0.001 0.074 0.541 126 D N 0.409 120.772 120.400 -0.062 0.000 2.855 126 D HA 0.316 4.898 4.640 -0.095 0.000 0.241 126 D C -2.028 174.180 176.300 -0.153 0.000 1.277 126 D CA -2.736 51.214 54.000 -0.084 0.000 0.918 126 D CB 2.216 43.004 40.800 -0.021 0.000 1.462 126 D HN 0.049 8.382 8.370 -0.062 0.000 0.559 127 P HA -0.006 4.262 4.420 -0.253 0.000 0.264 127 P C -0.685 176.520 177.300 -0.158 0.000 1.193 127 P CA -0.416 62.498 63.100 -0.309 0.000 0.763 127 P CB 0.490 31.798 31.700 -0.653 0.000 0.810 128 V N 2.899 122.751 119.914 -0.103 0.000 2.555 128 V HA -0.090 4.006 4.120 -0.039 0.000 0.286 128 V C 0.712 176.787 176.094 -0.031 0.000 1.044 128 V CA -0.296 61.974 62.300 -0.051 0.000 1.026 128 V CB 0.303 32.102 31.823 -0.040 0.000 0.981 128 V HN 0.168 8.291 8.190 -0.112 0.000 0.480 129 A N 6.659 129.476 122.820 -0.005 0.000 2.567 129 A HA -0.321 4.125 4.320 0.026 -0.110 0.240 129 A C 0.822 178.410 177.584 0.007 0.000 1.053 129 A CA 1.335 53.380 52.037 0.014 0.000 0.755 129 A CB -0.293 18.720 19.000 0.021 0.000 0.978 129 A HN 0.260 8.408 8.150 -0.003 0.000 0.507 130 G N 3.894 112.702 108.800 0.014 0.000 2.241 130 G HA2 -0.364 3.604 3.960 0.014 0.000 0.244 130 G HA3 -0.364 3.599 3.960 0.006 0.000 0.244 130 G C 0.089 174.990 174.900 0.002 0.000 0.998 130 G CA -0.322 44.783 45.100 0.009 0.000 0.621 130 G HN 0.446 8.640 8.290 0.024 0.110 0.519 131 S N 1.155 116.850 115.700 -0.009 0.000 2.600 131 S HA 0.015 4.477 4.470 -0.013 0.000 0.265 131 S C -0.550 174.043 174.600 -0.011 0.000 1.325 131 S CA 0.460 58.649 58.200 -0.017 0.000 1.002 131 S CB 1.742 64.920 63.200 -0.037 0.000 0.921 131 S HN -0.333 7.886 8.310 -0.012 0.084 0.554 132 S N 0.978 116.672 115.700 -0.011 0.000 2.480 132 S HA 0.135 4.608 4.470 0.005 0.000 0.286 132 S C -1.468 173.129 174.600 -0.005 0.000 1.180 132 S CA 0.374 58.573 58.200 -0.001 0.000 1.075 132 S CB 1.003 64.206 63.200 0.004 0.000 0.996 132 S HN 0.106 8.408 8.310 -0.013 0.000 0.487 133 A N 3.841 126.661 122.820 -0.000 0.000 2.413 133 A HA 0.786 5.244 4.320 -0.001 -0.138 0.307 133 A C -1.982 175.608 177.584 0.010 0.000 1.087 133 A CA -1.676 50.358 52.037 -0.005 0.000 0.750 133 A CB 3.845 22.828 19.000 -0.029 0.000 1.296 133 A HN 0.608 8.761 8.150 0.006 0.000 0.423 134 T N 2.713 117.286 114.554 0.032 0.000 2.848 134 T HA 0.733 5.290 4.350 0.034 -0.187 0.285 134 T C -1.668 173.028 174.700 -0.008 0.000 0.995 134 T CA -0.471 61.661 62.100 0.054 0.000 0.970 134 T CB 2.621 71.583 68.868 0.157 0.000 0.976 134 T HN 0.348 8.613 8.240 0.042 0.000 0.441 135 V N 6.291 126.166 119.914 -0.066 0.000 2.715 135 V HA 0.928 5.118 4.120 -0.182 -0.179 0.310 135 V C -3.058 172.896 176.094 -0.233 0.000 1.054 135 V CA -3.569 58.643 62.300 -0.148 0.000 0.928 135 V CB 3.889 35.656 31.823 -0.093 0.000 1.007 135 V HN 0.470 8.637 8.190 -0.037 0.000 0.437 136 A N 5.002 127.598 122.820 -0.374 0.000 2.539 136 A HA 1.003 5.260 4.320 -0.357 -0.151 0.296 136 A C -2.277 175.074 177.584 -0.389 0.000 1.073 136 A CA -1.692 50.057 52.037 -0.481 0.000 0.700 136 A CB 3.565 21.985 19.000 -0.966 0.000 1.296 136 A HN -0.136 7.808 8.150 -0.344 0.000 0.405 137 G N -1.141 107.405 108.800 -0.423 0.000 2.342 137 G HA2 0.246 3.939 3.960 -0.444 0.000 0.297 137 G HA3 0.246 4.271 3.960 -0.134 -0.145 0.297 137 G C -1.922 172.755 174.900 -0.371 0.000 1.313 137 G CA 0.531 45.423 45.100 -0.347 0.000 0.830 137 G HN 0.030 8.059 8.290 -0.434 0.000 0.506 138 W N 0.046 121.338 121.300 -0.014 0.000 3.067 138 W HA 0.311 4.974 4.660 0.005 0.000 0.417 138 W C -0.288 176.233 176.519 0.005 0.000 1.029 138 W CA -0.910 56.437 57.345 0.003 0.000 1.992 138 W CB 0.606 30.075 29.460 0.016 0.000 1.122 138 W HN 0.539 8.938 8.180 0.365 0.000 0.681 139 G N -0.446 108.445 108.800 0.152 0.000 2.588 139 G HA2 0.194 4.218 3.960 0.107 0.000 0.278 139 G HA3 0.194 4.326 3.960 0.064 -0.134 0.278 139 G C -1.376 173.563 174.900 0.066 0.000 1.307 139 G CA -0.800 44.356 45.100 0.094 0.000 1.016 139 G HN -0.475 8.107 8.290 0.103 -0.230 0.503 140 A N -1.006 121.842 122.820 0.047 0.000 2.448 140 A HA 0.048 4.395 4.320 0.046 0.000 0.239 140 A C -0.057 177.543 177.584 0.027 0.000 1.080 140 A CA 0.367 52.426 52.037 0.038 0.000 0.779 140 A CB 1.188 20.205 19.000 0.029 0.000 1.026 140 A HN -0.189 7.985 8.150 0.040 0.000 0.499 141 T N -6.446 108.123 114.554 0.025 0.000 3.069 141 T HA 0.208 4.776 4.350 0.014 -0.209 0.252 141 T C -0.350 174.360 174.700 0.016 0.000 1.053 141 T CA -0.551 61.560 62.100 0.018 0.000 0.964 141 T CB 0.927 69.805 68.868 0.018 0.000 1.005 141 T HN 0.392 8.649 8.240 0.029 0.000 0.532 142 S N -0.189 115.521 115.700 0.017 0.000 2.579 142 S HA 0.218 4.697 4.470 0.014 0.000 0.272 142 S C -1.605 173.003 174.600 0.014 0.000 1.141 142 S CA -1.286 56.923 58.200 0.015 0.000 0.843 142 S CB 2.476 65.684 63.200 0.014 0.000 1.122 142 S HN -0.717 7.554 8.310 0.019 0.050 0.468 143 E N 4.305 124.512 120.200 0.011 0.000 2.480 143 E HA -0.357 3.998 4.350 0.008 0.000 0.258 143 E C 0.952 177.558 176.600 0.009 0.000 0.984 143 E CA 1.297 57.702 56.400 0.008 0.000 0.930 143 E CB 0.078 29.780 29.700 0.004 0.000 0.936 143 E HN 0.528 8.895 8.360 0.011 0.000 0.466 144 G N 5.470 114.276 108.800 0.009 0.000 2.168 144 G HA2 -0.389 3.578 3.960 0.012 0.000 0.263 144 G HA3 -0.389 3.577 3.960 0.010 0.000 0.263 144 G C 0.178 175.087 174.900 0.016 0.000 0.977 144 G CA -0.075 45.032 45.100 0.012 0.000 0.659 144 G HN 0.389 8.684 8.290 0.008 0.000 0.533 145 G N -0.505 108.306 108.800 0.018 0.000 2.491 145 G HA2 -0.015 3.957 3.960 0.020 0.000 0.238 145 G HA3 -0.015 3.959 3.960 0.023 0.000 0.238 145 G C -0.616 174.300 174.900 0.027 0.000 1.277 145 G CA -0.306 44.807 45.100 0.022 0.000 0.851 145 G HN -0.453 7.691 8.290 0.017 0.156 0.573 146 S N 0.675 116.392 115.700 0.028 0.000 2.492 146 S HA 0.018 4.509 4.470 0.035 0.000 0.218 146 S C 0.337 174.960 174.600 0.038 0.000 1.016 146 S CA 0.283 58.502 58.200 0.033 0.000 0.916 146 S CB 0.704 63.921 63.200 0.028 0.000 0.791 146 S HN 0.166 8.492 8.310 0.026 0.000 0.513 147 S N 1.521 117.243 115.700 0.037 0.000 2.654 147 S HA 0.340 4.836 4.470 0.043 0.000 0.283 147 S C -1.648 172.984 174.600 0.052 0.000 1.180 147 S CA 0.010 58.235 58.200 0.042 0.000 1.021 147 S CB 1.739 64.961 63.200 0.037 0.000 1.018 147 S HN -0.431 7.899 8.310 0.033 0.000 0.532 148 T N -2.016 112.577 114.554 0.064 0.000 2.903 148 T HA 0.285 4.683 4.350 0.080 0.000 0.299 148 T C -1.919 172.841 174.700 0.099 0.000 1.093 148 T CA -3.430 58.723 62.100 0.087 0.000 1.002 148 T CB 1.147 70.082 68.868 0.111 0.000 1.127 148 T HN -0.222 8.055 8.240 0.062 0.000 0.488 149 P HA 0.270 4.745 4.420 0.091 0.000 0.277 149 P C 0.079 177.494 177.300 0.192 0.000 1.240 149 P CA -0.784 62.387 63.100 0.119 0.000 0.798 149 P CB 1.268 33.021 31.700 0.090 0.000 0.979 150 V N 0.990 120.997 119.914 0.156 0.000 2.323 150 V HA -0.305 3.918 4.120 0.171 0.000 0.244 150 V C -0.090 176.184 176.094 0.301 0.000 1.041 150 V CA 2.280 64.688 62.300 0.180 0.000 1.025 150 V CB 0.105 31.993 31.823 0.108 0.000 0.656 150 V HN 0.237 8.496 8.190 0.116 0.000 0.451 151 N N -3.212 115.623 118.700 0.224 0.000 2.466 151 N HA 0.220 5.395 4.740 0.365 -0.216 0.294 151 N C -0.143 175.385 175.510 0.030 0.000 1.129 151 N CA -1.087 52.092 53.050 0.215 0.000 0.931 151 N CB 1.249 39.803 38.487 0.113 0.000 1.193 151 N HN -0.691 7.783 8.380 0.156 0.000 0.500 152 L N 2.662 123.787 121.223 -0.164 0.000 2.525 152 L HA -0.177 3.413 4.340 -1.250 0.000 0.278 152 L C -1.363 175.302 176.870 -0.341 0.000 1.218 152 L CA 1.067 55.495 54.840 -0.687 0.000 0.878 152 L CB 0.615 42.270 42.059 -0.674 0.000 1.127 152 L HN -0.030 8.221 8.230 0.034 0.000 0.492 153 L N 5.196 126.207 121.223 -0.353 0.000 2.322 153 L HA 0.706 5.119 4.340 -0.122 -0.146 0.269 153 L C -1.354 175.410 176.870 -0.178 0.000 1.012 153 L CA -1.443 53.288 54.840 -0.181 0.000 0.815 153 L CB 2.797 44.785 42.059 -0.119 0.000 1.295 153 L HN -0.004 7.938 8.230 -0.480 0.000 0.438 154 K N -2.277 118.079 120.400 -0.074 0.000 2.512 154 K HA 1.039 5.480 4.320 -0.109 -0.186 0.263 154 K C -2.335 174.259 176.600 -0.010 0.000 0.966 154 K CA -1.714 54.550 56.287 -0.039 0.000 0.851 154 K CB 4.553 37.124 32.500 0.120 0.000 1.395 154 K HN 0.695 8.917 8.250 -0.047 0.000 0.440 155 V N 0.198 120.109 119.914 -0.005 0.000 3.012 155 V HA 0.355 4.484 4.120 0.014 0.000 0.307 155 V C -2.609 173.497 176.094 0.019 0.000 1.166 155 V CA -1.838 60.468 62.300 0.009 0.000 0.974 155 V CB 4.024 35.849 31.823 0.002 0.000 1.040 155 V HN 0.502 8.681 8.190 -0.019 0.000 0.428 156 T N 8.099 122.667 114.554 0.024 0.000 2.771 156 T HA 0.810 5.378 4.350 0.027 -0.201 0.281 156 T C -0.933 173.781 174.700 0.024 0.000 0.982 156 T CA -0.708 61.407 62.100 0.026 0.000 0.978 156 T CB 1.042 69.927 68.868 0.027 0.000 0.930 156 T HN 0.161 8.414 8.240 0.022 0.000 0.447 157 V N 0.874 120.803 119.914 0.025 0.000 3.049 157 V HA 0.707 4.847 4.120 0.033 0.000 0.309 157 V C -2.886 173.230 176.094 0.037 0.000 1.148 157 V CA -4.551 57.770 62.300 0.036 0.000 0.990 157 V CB 2.667 34.523 31.823 0.056 0.000 1.039 157 V HN 0.663 8.865 8.190 0.020 0.000 0.430 158 P HA 0.429 5.054 4.420 0.029 -0.188 0.277 158 P C -0.334 177.009 177.300 0.071 0.000 1.240 158 P CA -1.494 61.631 63.100 0.041 0.000 0.798 158 P CB 0.780 32.500 31.700 0.032 0.000 0.979 159 I N 1.090 121.699 120.570 0.066 0.000 2.648 159 I HA -0.076 4.345 4.170 0.184 -0.140 0.284 159 I C 0.337 176.515 176.117 0.102 0.000 1.153 159 I CA -0.369 60.997 61.300 0.111 0.000 1.426 159 I CB -1.084 36.946 38.000 0.049 0.000 1.381 159 I HN 0.156 8.388 8.210 0.037 0.000 0.571 160 V N 8.262 128.260 119.914 0.140 0.000 2.472 160 V HA 0.240 4.402 4.120 0.071 0.000 0.290 160 V C -1.103 175.053 176.094 0.103 0.000 1.037 160 V CA -1.914 60.445 62.300 0.099 0.000 0.908 160 V CB 1.066 32.944 31.823 0.092 0.000 0.985 160 V HN 0.057 8.251 8.190 0.197 0.114 0.454 161 S N 5.248 120.990 115.700 0.070 0.000 2.573 161 S HA -0.069 4.445 4.470 0.073 0.000 0.277 161 S C 1.157 175.804 174.600 0.079 0.000 1.346 161 S CA -0.398 57.843 58.200 0.068 0.000 1.034 161 S CB 1.286 64.513 63.200 0.044 0.000 0.879 161 S HN 0.391 8.733 8.310 0.054 0.000 0.528 162 R N 3.527 124.077 120.500 0.084 0.000 2.127 162 R HA -0.403 3.994 4.340 0.095 0.000 0.238 162 R C 1.281 177.623 176.300 0.070 0.000 1.134 162 R CA 4.351 60.502 56.100 0.085 0.000 0.975 162 R CB -0.333 30.019 30.300 0.086 0.000 0.865 162 R HN 0.704 9.022 8.270 0.080 0.000 0.447 163 A N -2.956 119.897 122.820 0.054 0.000 1.873 163 A HA -0.146 4.202 4.320 0.047 0.000 0.215 163 A C 2.222 179.829 177.584 0.039 0.000 1.186 163 A CA 3.112 55.175 52.037 0.044 0.000 0.616 163 A CB -0.869 18.150 19.000 0.032 0.000 0.823 163 A HN 0.164 8.331 8.150 0.051 0.013 0.442 164 T N 0.780 115.353 114.554 0.033 0.000 2.746 164 T HA -0.406 3.946 4.350 0.003 0.000 0.267 164 T C 1.444 176.160 174.700 0.027 0.000 1.039 164 T CA 5.200 67.310 62.100 0.016 0.000 1.142 164 T CB 0.005 68.878 68.868 0.008 0.000 0.866 164 T HN -0.497 7.765 8.240 0.036 0.000 0.444 165 C N 1.480 120.820 119.300 0.066 0.000 2.495 165 C HA -0.096 4.425 4.460 0.100 0.000 0.275 165 C C 1.819 176.917 174.990 0.180 0.000 1.392 165 C CA 1.012 60.106 59.018 0.126 0.000 1.766 165 C CB -1.945 25.872 27.740 0.128 0.000 1.933 165 C HN 0.014 8.203 8.230 0.068 0.082 0.519 166 R N 0.093 120.667 120.500 0.123 0.000 2.148 166 R HA -0.236 4.344 4.340 0.175 -0.135 0.227 166 R C 2.292 178.646 176.300 0.091 0.000 1.103 166 R CA 3.227 59.403 56.100 0.127 0.000 0.983 166 R CB -0.302 30.052 30.300 0.091 0.000 0.874 166 R HN 0.381 8.710 8.270 0.098 0.000 0.451 167 A N -1.589 121.257 122.820 0.043 0.000 1.969 167 A HA -0.188 4.139 4.320 0.011 0.000 0.218 167 A C 1.421 178.978 177.584 -0.044 0.000 1.169 167 A CA 2.313 54.350 52.037 0.001 0.000 0.635 167 A CB -0.543 18.445 19.000 -0.021 0.000 0.810 167 A HN -0.503 7.547 8.150 0.041 0.125 0.445 168 Q N -2.872 116.878 119.800 -0.084 0.000 2.083 168 Q HA -0.268 3.860 4.340 -0.353 0.000 0.198 168 Q C 1.440 177.316 176.000 -0.207 0.000 0.969 168 Q CA 2.903 58.536 55.803 -0.284 0.000 0.838 168 Q CB 0.774 29.245 28.738 -0.446 0.000 0.900 168 Q HN -0.577 7.492 8.270 -0.038 0.178 0.436 169 Y N -5.744 114.617 120.300 0.101 0.000 2.462 169 Y HA -0.083 4.610 4.550 0.238 0.000 0.253 169 Y C -0.051 175.936 175.900 0.145 0.000 1.095 169 Y CA 0.620 58.830 58.100 0.183 0.000 1.283 169 Y CB 2.231 40.826 38.460 0.226 0.000 1.138 169 Y HN -0.473 7.938 8.280 0.218 0.000 0.522 170 G N -1.455 107.482 108.800 0.229 0.000 2.576 170 G HA2 -0.224 3.797 3.960 0.109 0.000 0.686 170 G HA3 -0.224 3.826 3.960 0.150 0.000 0.686 170 G C -0.958 174.025 174.900 0.140 0.000 1.242 170 G CA -0.665 44.526 45.100 0.151 0.000 0.819 170 G HN -0.545 7.766 8.290 0.199 0.098 0.655 171 T N 1.088 115.696 114.554 0.091 0.000 2.708 171 T HA -0.417 3.981 4.350 0.080 0.000 0.266 171 T C 1.532 176.276 174.700 0.074 0.000 1.037 171 T CA 4.278 66.423 62.100 0.075 0.000 1.146 171 T CB 0.129 69.027 68.868 0.051 0.000 0.865 171 T HN 0.186 8.472 8.240 0.077 0.000 0.435 172 S N 0.031 115.768 115.700 0.062 0.000 2.428 172 S HA -0.201 4.291 4.470 0.037 0.000 0.230 172 S C 1.440 176.072 174.600 0.053 0.000 1.014 172 S CA 1.725 59.951 58.200 0.043 0.000 0.957 172 S CB -0.222 62.990 63.200 0.020 0.000 0.784 172 S HN -0.174 8.171 8.310 0.060 0.000 0.499 173 A N 0.492 123.368 122.820 0.094 0.000 2.015 173 A HA -0.066 4.273 4.320 0.031 0.000 0.219 173 A C -0.177 177.524 177.584 0.195 0.000 1.163 173 A CA 1.540 53.649 52.037 0.121 0.000 0.646 173 A CB 0.293 19.434 19.000 0.235 0.000 0.806 173 A HN -0.406 7.767 8.150 0.111 0.043 0.448 174 I N -1.629 119.048 120.570 0.177 0.000 2.330 174 I HA 0.286 4.571 4.170 0.192 0.000 0.289 174 I C -0.789 175.390 176.117 0.104 0.000 1.001 174 I CA -2.876 58.515 61.300 0.152 0.000 1.193 174 I CB -0.910 37.159 38.000 0.114 0.000 1.345 174 I HN -0.803 7.477 8.210 0.158 0.025 0.461 175 T N 4.423 119.034 114.554 0.095 0.000 2.937 175 T HA 0.414 4.800 4.350 0.060 0.000 0.283 175 T C 0.745 175.489 174.700 0.074 0.000 1.012 175 T CA -2.455 59.686 62.100 0.068 0.000 0.997 175 T CB 2.266 71.162 68.868 0.046 0.000 1.136 175 T HN -0.441 7.866 8.240 0.113 0.000 0.551 176 N N -2.322 116.415 118.700 0.062 0.000 2.573 176 N HA -0.186 4.601 4.740 0.078 0.000 0.187 176 N C -0.135 175.423 175.510 0.079 0.000 1.107 176 N CA 1.609 54.701 53.050 0.069 0.000 0.918 176 N CB -0.638 37.882 38.487 0.054 0.000 0.966 176 N HN 0.450 8.861 8.380 0.051 0.000 0.448 177 Q N -3.182 116.659 119.800 0.069 0.000 2.220 177 Q HA 0.113 4.505 4.340 0.087 0.000 0.205 177 Q C -1.336 174.725 176.000 0.102 0.000 0.865 177 Q CA -0.571 55.273 55.803 0.070 0.000 0.960 177 Q CB 0.142 28.880 28.738 -0.001 0.000 1.097 177 Q HN -0.698 7.540 8.270 0.058 0.067 0.493 178 M N -0.875 118.796 119.600 0.119 0.000 2.591 178 M HA 0.861 5.581 4.480 0.062 -0.203 0.306 178 M C -1.725 174.681 176.300 0.177 0.000 1.190 178 M CA -0.845 54.510 55.300 0.091 0.000 0.889 178 M CB 4.747 37.381 32.600 0.057 0.000 1.728 178 M HN -0.596 7.688 8.290 0.115 0.076 0.458 179 F N -2.674 117.331 119.950 0.092 0.000 2.650 179 F HA 0.601 5.167 4.527 0.066 0.000 0.320 179 F C -3.010 172.884 175.800 0.156 0.000 1.091 179 F CA -1.977 56.089 58.000 0.109 0.000 0.962 179 F CB 2.592 41.660 39.000 0.113 0.000 1.363 179 F HN 0.351 8.535 8.300 -0.192 0.000 0.482 180 C N -1.672 117.814 119.300 0.310 0.000 2.614 180 C HA 1.056 5.653 4.460 -0.076 -0.183 0.320 180 C C -1.115 174.152 174.990 0.461 0.000 1.200 180 C CA -1.645 57.477 59.018 0.174 0.000 1.700 180 C CB 3.489 31.252 27.740 0.039 0.000 2.275 180 C HN 0.509 9.014 8.230 0.459 0.000 0.492 181 A N 0.602 123.706 122.820 0.472 0.000 2.574 181 A HA 0.888 5.494 4.320 0.263 -0.128 0.297 181 A C -2.282 175.444 177.584 0.238 0.000 1.062 181 A CA -1.103 51.151 52.037 0.361 0.000 0.686 181 A CB 3.316 22.501 19.000 0.308 0.000 1.285 181 A HN 0.577 8.926 8.150 0.332 0.000 0.403 182 G N -0.299 108.587 108.800 0.143 0.000 2.341 182 G HA2 0.132 4.150 3.960 0.096 0.000 0.293 182 G HA3 0.132 4.145 3.960 0.088 0.000 0.293 182 G C -2.711 172.225 174.900 0.060 0.000 1.298 182 G CA 0.615 45.772 45.100 0.095 0.000 0.868 182 G HN 0.073 8.440 8.290 0.128 0.000 0.540 183 V N -4.234 115.705 119.914 0.042 0.000 2.628 183 V HA 0.519 4.654 4.120 0.024 0.000 0.306 183 V C 0.766 176.867 176.094 0.012 0.000 1.045 183 V CA -3.316 58.999 62.300 0.025 0.000 0.905 183 V CB 2.142 33.978 31.823 0.022 0.000 0.997 183 V HN 0.327 8.544 8.190 0.044 0.000 0.436 184 S N 4.618 120.318 115.700 -0.001 0.000 2.383 184 S HA -0.282 4.169 4.470 -0.031 0.000 0.229 184 S C 1.178 175.768 174.600 -0.016 0.000 1.030 184 S CA 3.234 61.423 58.200 -0.019 0.000 1.002 184 S CB -0.066 63.120 63.200 -0.023 0.000 0.829 184 S HN 0.552 8.863 8.310 0.002 0.000 0.467 185 S N -1.766 113.931 115.700 -0.004 0.000 2.507 185 S HA -0.122 4.346 4.470 -0.003 0.000 0.235 185 S C 0.629 175.235 174.600 0.010 0.000 0.988 185 S CA 0.624 58.825 58.200 0.001 0.000 0.944 185 S CB -0.138 63.064 63.200 0.003 0.000 0.762 185 S HN -0.393 7.899 8.310 -0.001 0.017 0.526 186 G N 0.965 109.775 108.800 0.016 0.000 2.750 186 G HA2 -0.294 3.685 3.960 0.032 0.000 0.228 186 G HA3 -0.294 3.770 3.960 0.030 -0.086 0.228 186 G C -0.277 174.638 174.900 0.024 0.000 1.367 186 G CA 0.026 45.142 45.100 0.026 0.000 0.871 186 G HN -0.470 7.635 8.290 0.013 0.192 0.560 187 G N -2.699 106.116 108.800 0.026 0.000 2.194 187 G HA2 -0.387 3.585 3.960 0.020 0.000 0.236 187 G HA3 -0.387 3.584 3.960 0.018 0.000 0.236 187 G C -1.658 173.254 174.900 0.021 0.000 0.987 187 G CA 0.198 45.311 45.100 0.021 0.000 0.635 187 G HN 0.100 8.290 8.290 0.030 0.118 0.520 188 K N -0.079 120.337 120.400 0.026 0.000 2.578 188 K HA 0.703 5.268 4.320 0.022 -0.231 0.250 188 K C -2.357 174.266 176.600 0.039 0.000 0.955 188 K CA -1.175 55.128 56.287 0.027 0.000 0.825 188 K CB 3.252 35.768 32.500 0.027 0.000 1.151 188 K HN -0.496 7.704 8.250 0.030 0.068 0.432 189 D N 2.182 122.604 120.400 0.037 0.000 2.755 189 D HA 0.271 4.955 4.640 0.074 0.000 0.277 189 D C -1.792 174.532 176.300 0.040 0.000 1.261 189 D CA -0.420 53.610 54.000 0.051 0.000 0.759 189 D CB 4.116 44.941 40.800 0.042 0.000 1.279 189 D HN -0.043 8.344 8.370 0.027 0.000 0.420 190 S N -0.465 115.271 115.700 0.060 0.000 2.632 190 S HA 0.222 4.804 4.470 0.023 -0.098 0.267 190 S C -1.219 173.393 174.600 0.020 0.000 1.276 190 S CA -0.353 57.872 58.200 0.041 0.000 0.998 190 S CB 0.927 64.174 63.200 0.078 0.000 0.953 190 S HN 0.221 8.588 8.310 0.094 0.000 0.547 191 C N -0.170 119.139 119.300 0.015 0.000 3.311 191 C HA 0.208 4.671 4.460 0.006 0.000 0.325 191 C C -1.330 173.665 174.990 0.009 0.000 1.352 191 C CA -0.287 58.737 59.018 0.010 0.000 1.308 191 C CB 2.928 30.675 27.740 0.012 0.000 1.619 191 C HN 0.281 8.782 8.230 0.017 -0.260 0.469 192 Q N 3.338 123.139 119.800 0.001 0.000 2.485 192 Q HA -0.260 4.065 4.340 -0.025 0.000 0.348 192 Q C 1.338 177.328 176.000 -0.017 0.000 1.097 192 Q CA 2.706 58.498 55.803 -0.018 0.000 1.079 192 Q CB 0.085 28.811 28.738 -0.021 0.000 1.108 192 Q HN 0.729 9.000 8.270 0.002 0.000 0.400 193 G N 4.173 112.940 108.800 -0.055 0.000 2.217 193 G HA2 -0.426 3.679 3.960 -0.090 0.000 0.246 193 G HA3 -0.426 3.545 3.960 0.019 0.000 0.246 193 G C 0.685 175.603 174.900 0.031 0.000 0.990 193 G CA 0.976 46.060 45.100 -0.027 0.000 0.627 193 G HN 0.742 8.975 8.290 -0.095 0.000 0.522 194 D N 1.721 122.138 120.400 0.028 0.000 2.348 194 D HA 0.022 4.706 4.640 0.073 0.000 0.211 194 D C 0.062 176.384 176.300 0.036 0.000 0.998 194 D CA 1.235 55.261 54.000 0.043 0.000 0.873 194 D CB 0.262 41.076 40.800 0.023 0.000 0.925 194 D HN 0.088 8.381 8.370 0.015 0.087 0.524 195 S N -0.815 114.894 115.700 0.014 0.000 2.558 195 S HA -0.309 4.325 4.470 0.072 -0.120 0.291 195 S C 1.156 175.734 174.600 -0.036 0.000 1.306 195 S CA 2.587 60.797 58.200 0.016 0.000 1.056 195 S CB -0.243 62.971 63.200 0.024 0.000 0.836 195 S HN -0.231 8.031 8.310 -0.002 0.047 0.504 196 G N 4.739 113.529 108.800 -0.018 0.000 2.304 196 G HA2 -0.451 3.563 3.960 -0.015 0.000 0.252 196 G HA3 -0.451 3.579 3.960 -0.042 -0.095 0.252 196 G C -0.078 174.854 174.900 0.053 0.000 1.014 196 G CA 0.504 45.597 45.100 -0.010 0.000 0.619 196 G HN 0.651 8.842 8.290 0.019 0.110 0.525 197 G N 0.997 109.835 108.800 0.065 0.000 2.616 197 G HA2 0.304 4.396 3.960 0.106 0.000 0.268 197 G HA3 0.304 4.296 3.960 0.054 0.000 0.268 197 G C -2.646 172.288 174.900 0.056 0.000 1.213 197 G CA -1.930 43.213 45.100 0.073 0.000 0.926 197 G HN -0.465 7.758 8.290 0.055 0.101 0.523 198 P HA 0.288 4.925 4.420 0.119 -0.146 0.282 198 P C -1.934 175.348 177.300 -0.031 0.000 1.249 198 P CA -0.986 62.158 63.100 0.074 0.000 0.806 198 P CB 1.645 33.486 31.700 0.235 0.000 0.984 199 I N 2.038 122.619 120.570 0.019 0.000 2.465 199 I HA 0.756 5.074 4.170 -0.067 -0.188 0.291 199 I C -2.022 174.133 176.117 0.063 0.000 1.014 199 I CA -2.590 58.692 61.300 -0.030 0.000 1.093 199 I CB 3.486 41.377 38.000 -0.182 0.000 1.267 199 I HN -0.174 8.074 8.210 0.065 0.000 0.431 200 V N 4.538 124.503 119.914 0.084 0.000 2.919 200 V HA 1.012 5.350 4.120 0.104 -0.156 0.316 200 V C -0.702 175.428 176.094 0.060 0.000 1.077 200 V CA -3.842 58.532 62.300 0.125 0.000 0.977 200 V CB 2.956 34.941 31.823 0.270 0.000 1.039 200 V HN 0.836 9.064 8.190 0.064 0.000 0.441 201 D N 1.014 121.432 120.400 0.029 0.000 2.414 201 D HA 0.258 4.887 4.640 -0.019 0.000 0.259 201 D C 1.732 178.049 176.300 0.029 0.000 1.269 201 D CA -0.734 53.265 54.000 -0.002 0.000 1.028 201 D CB 0.791 41.569 40.800 -0.037 0.000 1.093 201 D HN -0.057 8.331 8.370 0.030 0.000 0.545 202 S N -1.780 113.925 115.700 0.009 0.000 2.474 202 S HA -0.199 4.285 4.470 0.023 0.000 0.235 202 S C 1.004 175.613 174.600 0.016 0.000 0.997 202 S CA 2.295 60.503 58.200 0.014 0.000 0.949 202 S CB -0.396 62.804 63.200 0.001 0.000 0.766 202 S HN 0.229 8.535 8.310 -0.006 0.000 0.517 203 S N 0.917 116.627 115.700 0.017 0.000 2.575 203 S HA 0.037 4.513 4.470 0.011 0.000 0.215 203 S C -0.416 174.209 174.600 0.042 0.000 0.966 203 S CA 0.374 58.584 58.200 0.018 0.000 0.911 203 S CB 0.470 63.675 63.200 0.009 0.000 0.780 203 S HN -0.570 7.905 8.310 0.013 -0.157 0.514 204 N N -3.345 115.401 118.700 0.076 0.000 2.850 204 N HA -0.317 4.545 4.740 0.204 0.000 0.249 204 N C -1.236 174.369 175.510 0.159 0.000 1.060 204 N CA 1.943 55.084 53.050 0.152 0.000 0.825 204 N CB -1.850 36.715 38.487 0.129 0.000 1.132 204 N HN -0.097 8.188 8.380 0.071 0.138 0.564 205 T N 0.913 115.512 114.554 0.075 0.000 2.884 205 T HA -0.176 4.175 4.350 0.001 0.000 0.298 205 T C -0.962 173.747 174.700 0.015 0.000 0.998 205 T CA 1.691 63.803 62.100 0.021 0.000 1.124 205 T CB 0.953 69.818 68.868 -0.005 0.000 0.931 205 T HN -0.597 7.830 8.240 0.056 -0.154 0.531 206 L N 7.306 128.492 121.223 -0.062 0.000 2.456 206 L HA -0.034 4.323 4.340 0.028 0.000 0.277 206 L C -0.821 176.045 176.870 -0.005 0.000 1.124 206 L CA 0.329 55.139 54.840 -0.049 0.000 0.880 206 L CB 0.252 42.189 42.059 -0.204 0.000 1.192 206 L HN 0.316 8.472 8.230 -0.124 0.000 0.463 207 I N -0.778 119.815 120.570 0.038 0.000 3.854 207 I HA 0.403 4.577 4.170 0.007 0.000 0.312 207 I C -0.583 175.672 176.117 0.231 0.000 1.273 207 I CA -0.545 60.777 61.300 0.036 0.000 1.298 207 I CB 0.934 38.860 38.000 -0.123 0.000 1.071 207 I HN 0.192 8.437 8.210 0.059 0.000 0.428 208 G N -1.922 107.031 108.800 0.255 0.000 2.550 208 G HA2 0.295 4.553 3.960 0.301 0.000 0.293 208 G HA3 0.295 4.509 3.960 0.423 0.000 0.293 208 G C -3.311 171.688 174.900 0.166 0.000 1.402 208 G CA 0.291 45.575 45.100 0.306 0.000 0.784 208 G HN -0.654 7.741 8.290 0.175 0.000 0.482 209 A N -1.775 121.133 122.820 0.146 0.000 2.355 209 A HA 0.977 5.566 4.320 0.109 -0.203 0.317 209 A C -0.977 176.693 177.584 0.144 0.000 1.094 209 A CA -2.675 49.433 52.037 0.119 0.000 0.764 209 A CB 3.522 22.580 19.000 0.096 0.000 1.230 209 A HN 0.018 8.260 8.150 0.154 0.000 0.448 210 V N 1.268 121.271 119.914 0.148 0.000 2.584 210 V HA -0.286 4.002 4.120 0.279 0.000 0.303 210 V C -0.402 175.769 176.094 0.128 0.000 1.035 210 V CA 2.105 64.506 62.300 0.169 0.000 1.172 210 V CB -1.297 30.596 31.823 0.118 0.000 0.896 210 V HN 0.094 8.354 8.190 0.115 0.000 0.486 211 S N 8.205 123.943 115.700 0.064 0.000 3.526 211 S HA 0.297 4.970 4.470 0.338 0.000 0.222 211 S C -1.497 173.246 174.600 0.237 0.000 1.001 211 S CA 0.555 58.879 58.200 0.207 0.000 0.831 211 S CB 2.654 65.972 63.200 0.196 0.000 0.941 211 S HN 0.005 8.273 8.310 -0.070 0.000 0.585 212 W N -3.415 117.763 121.300 -0.205 0.000 2.937 212 W HA 0.236 4.779 4.660 -0.195 0.000 0.360 212 W C -3.021 173.338 176.519 -0.267 0.000 1.215 212 W CA -0.740 56.467 57.345 -0.230 0.000 1.183 212 W CB 1.847 31.158 29.460 -0.249 0.000 1.458 212 W HN -0.054 7.930 8.180 -0.326 0.000 0.574 213 G N -2.783 105.995 108.800 -0.037 0.000 2.349 213 G HA2 -0.101 3.524 3.960 -0.559 0.000 0.294 213 G HA3 -0.101 3.723 3.960 -0.227 0.000 0.294 213 G C -2.633 172.352 174.900 0.142 0.000 1.380 213 G CA 0.409 45.396 45.100 -0.189 0.000 0.811 213 G HN -0.062 8.367 8.290 0.231 0.000 0.519 214 N N 1.703 120.522 118.700 0.199 0.000 2.558 214 N HA 0.058 4.835 4.740 0.062 0.000 0.233 214 N C 0.823 176.300 175.510 -0.055 0.000 1.038 214 N CA -1.307 51.766 53.050 0.039 0.000 0.934 214 N CB -0.318 38.008 38.487 -0.269 0.000 1.175 214 N HN -0.281 8.267 8.380 0.281 0.000 0.512 215 G N 3.826 112.609 108.800 -0.028 0.000 2.575 215 G HA2 -0.376 3.574 3.960 -0.017 0.000 0.267 215 G HA3 -0.376 3.675 3.960 -0.039 -0.114 0.267 215 G C -1.253 173.646 174.900 -0.001 0.000 1.264 215 G CA -0.140 44.946 45.100 -0.023 0.000 0.935 215 G HN -0.278 8.007 8.290 -0.010 0.000 0.568 216 C N 1.727 121.030 119.300 0.005 0.000 2.481 216 C HA 0.101 4.687 4.460 0.011 -0.120 0.324 216 C C -0.346 174.659 174.990 0.024 0.000 1.170 216 C CA -0.567 58.459 59.018 0.013 0.000 1.361 216 C CB 0.825 28.571 27.740 0.010 0.000 1.977 216 C HN -0.216 8.270 8.230 0.002 -0.255 0.459 217 A N 2.308 125.148 122.820 0.034 0.000 2.860 217 A HA -0.442 3.903 4.320 0.043 0.000 0.267 217 A C -1.070 176.543 177.584 0.048 0.000 1.421 217 A CA 1.011 53.071 52.037 0.039 0.000 0.831 217 A CB -0.672 18.345 19.000 0.029 0.000 1.041 217 A HN 0.835 9.351 8.150 0.033 -0.346 0.623 218 R N -2.287 118.254 120.500 0.068 0.000 2.539 218 R HA 0.091 4.472 4.340 0.069 0.000 0.275 218 R C -2.090 174.272 176.300 0.102 0.000 1.077 218 R CA -2.438 53.719 56.100 0.094 0.000 1.097 218 R CB 0.278 30.658 30.300 0.133 0.000 1.018 218 R HN -0.107 8.161 8.270 0.071 0.044 0.483 219 P HA -0.263 4.379 4.420 0.012 -0.215 0.265 219 P C -0.598 176.693 177.300 -0.015 0.000 1.193 219 P CA 0.832 63.948 63.100 0.027 0.000 0.765 219 P CB 0.169 31.878 31.700 0.016 0.000 0.823 220 N N -3.772 114.866 118.700 -0.103 0.000 2.741 220 N HA -0.447 4.154 4.740 -0.232 0.000 0.251 220 N C -1.749 173.389 175.510 -0.621 0.000 1.112 220 N CA 1.921 54.792 53.050 -0.298 0.000 0.750 220 N CB -1.210 37.071 38.487 -0.344 0.000 1.119 220 N HN 0.286 8.626 8.380 -0.066 0.000 0.561 221 Y N -2.139 118.094 120.300 -0.111 0.000 2.445 221 Y HA -0.013 4.467 4.550 -0.309 -0.115 0.332 221 Y C -1.179 174.715 175.900 -0.010 0.000 1.037 221 Y CA -1.098 56.902 58.100 -0.166 0.000 1.296 221 Y CB 0.735 39.091 38.460 -0.173 0.000 1.099 221 Y HN -0.893 7.328 8.280 -0.006 0.055 0.496 222 S N 3.583 119.370 115.700 0.146 0.000 2.573 222 S HA -0.149 4.360 4.470 0.064 0.000 0.277 222 S C 0.442 175.030 174.600 -0.021 0.000 1.346 222 S CA 1.394 59.645 58.200 0.086 0.000 1.034 222 S CB 0.621 63.863 63.200 0.070 0.000 0.879 222 S HN -0.159 8.540 8.310 0.113 -0.322 0.528 223 G N 0.380 109.105 108.800 -0.125 0.000 2.441 223 G HA2 0.096 3.793 3.960 -0.438 0.000 0.243 223 G HA3 0.096 3.930 3.960 -0.379 -0.102 0.243 223 G C -1.783 172.482 174.900 -1.058 0.000 1.281 223 G CA -0.116 44.703 45.100 -0.468 0.000 0.854 223 G HN -0.102 8.180 8.290 -0.014 0.000 0.560 224 V N 2.956 122.041 119.914 -1.381 0.000 2.459 224 V HA 0.550 4.024 4.120 -1.315 -0.143 0.295 224 V C -0.891 174.337 176.094 -1.444 0.000 1.029 224 V CA -2.207 59.197 62.300 -1.494 0.000 0.874 224 V CB 1.491 32.207 31.823 -1.844 0.000 0.985 224 V HN 0.146 7.625 8.190 -1.184 0.000 0.438 225 Y N 3.813 123.735 120.300 -0.630 0.000 2.446 225 Y HA 0.468 4.920 4.550 -0.368 -0.123 0.345 225 Y C -1.225 174.434 175.900 -0.402 0.000 0.984 225 Y CA -2.793 54.952 58.100 -0.591 0.000 1.058 225 Y CB 3.076 40.987 38.460 -0.914 0.000 1.220 225 Y HN 0.720 8.401 8.280 -0.997 0.000 0.455 226 A N 2.318 125.136 122.820 -0.003 0.000 2.454 226 A HA 0.230 4.721 4.320 0.068 -0.129 0.260 226 A C -0.989 176.690 177.584 0.158 0.000 1.106 226 A CA -0.785 51.297 52.037 0.074 0.000 0.780 226 A CB 0.401 19.458 19.000 0.095 0.000 1.044 226 A HN 0.443 8.616 8.150 0.039 0.000 0.498 227 S N 4.031 119.866 115.700 0.224 0.000 2.430 227 S HA 0.232 5.051 4.470 0.581 0.000 0.289 227 S C 1.031 175.771 174.600 0.235 0.000 1.143 227 S CA -2.116 56.309 58.200 0.374 0.000 1.067 227 S CB 0.625 64.060 63.200 0.391 0.000 0.964 227 S HN -0.130 8.284 8.310 0.173 0.000 0.485 228 V N 7.748 127.792 119.914 0.218 0.000 2.343 228 V HA -0.443 3.767 4.120 0.150 0.000 0.247 228 V C 1.693 177.852 176.094 0.108 0.000 1.051 228 V CA 3.854 66.239 62.300 0.142 0.000 1.036 228 V CB -0.051 31.831 31.823 0.099 0.000 0.654 228 V HN 0.300 8.653 8.190 0.271 0.000 0.451 229 G N -1.578 107.271 108.800 0.081 0.000 2.442 229 G HA2 -0.319 3.783 3.960 0.037 0.000 0.219 229 G HA3 -0.319 3.812 3.960 0.024 -0.156 0.219 229 G C -0.031 174.912 174.900 0.071 0.000 1.141 229 G CA 2.041 47.170 45.100 0.049 0.000 0.763 229 G HN 0.181 8.519 8.290 0.081 0.000 0.554 230 A N -0.948 121.932 122.820 0.099 0.000 2.119 230 A HA -0.043 4.327 4.320 0.083 0.000 0.216 230 A C 0.004 177.658 177.584 0.117 0.000 1.152 230 A CA 1.254 53.350 52.037 0.098 0.000 0.708 230 A CB 0.356 19.417 19.000 0.102 0.000 0.805 230 A HN -0.680 7.525 8.150 0.118 0.016 0.460 231 L N -4.221 117.090 121.223 0.146 0.000 3.014 231 L HA 0.268 4.752 4.340 0.240 0.000 0.263 231 L C 0.304 177.326 176.870 0.253 0.000 1.207 231 L CA -1.337 53.636 54.840 0.223 0.000 1.017 231 L CB 0.034 42.223 42.059 0.216 0.000 1.360 231 L HN -0.698 7.442 8.230 0.140 0.174 0.560 232 R N -0.134 120.463 120.500 0.162 0.000 2.148 232 R HA -0.306 4.098 4.340 0.107 0.000 0.227 232 R C 1.778 178.147 176.300 0.114 0.000 1.103 232 R CA 2.438 58.606 56.100 0.114 0.000 0.983 232 R CB -0.843 29.495 30.300 0.063 0.000 0.874 232 R HN -0.282 8.003 8.270 0.136 0.067 0.451 233 S N -0.657 115.130 115.700 0.145 0.000 2.356 233 S HA -0.291 4.213 4.470 0.056 0.000 0.223 233 S C 1.563 176.244 174.600 0.136 0.000 1.032 233 S CA 3.692 61.959 58.200 0.112 0.000 1.005 233 S CB -0.542 62.730 63.200 0.120 0.000 0.867 233 S HN 0.083 8.470 8.310 0.162 0.020 0.449 234 F N 2.484 122.488 119.950 0.091 0.000 2.069 234 F HA -0.281 4.310 4.527 0.107 0.000 0.298 234 F C 1.593 177.478 175.800 0.141 0.000 1.113 234 F CA 2.834 60.898 58.000 0.107 0.000 1.214 234 F CB -0.022 39.015 39.000 0.061 0.000 0.978 234 F HN -0.754 7.795 8.300 0.416 0.000 0.474 235 I N -1.353 119.209 120.570 -0.013 0.000 2.163 235 I HA -0.706 3.250 4.170 -0.357 0.000 0.243 235 I C 1.736 177.748 176.117 -0.176 0.000 1.085 235 I CA 4.334 65.536 61.300 -0.164 0.000 1.347 235 I CB -0.424 37.581 38.000 0.008 0.000 1.044 235 I HN -0.606 7.739 8.210 0.226 0.000 0.408 236 D N -0.831 119.508 120.400 -0.102 0.000 2.178 236 D HA -0.164 4.411 4.640 -0.108 0.000 0.202 236 D C 2.329 178.513 176.300 -0.192 0.000 0.974 236 D CA 2.980 56.910 54.000 -0.116 0.000 0.841 236 D CB -0.418 40.340 40.800 -0.071 0.000 0.953 236 D HN -0.046 8.296 8.370 -0.047 0.000 0.478 237 T N -0.500 113.888 114.554 -0.276 0.000 2.821 237 T HA -0.274 3.849 4.350 -0.379 0.000 0.267 237 T C 1.201 175.510 174.700 -0.651 0.000 1.046 237 T CA 3.615 65.418 62.100 -0.496 0.000 1.139 237 T CB 0.556 69.031 68.868 -0.655 0.000 0.871 237 T HN -0.517 7.568 8.240 -0.226 0.020 0.454 238 Y N -2.652 117.485 120.300 -0.273 0.000 2.442 238 Y HA 0.088 4.526 4.550 -0.186 0.000 0.250 238 Y C -0.724 175.038 175.900 -0.231 0.000 1.113 238 Y CA -0.680 57.258 58.100 -0.269 0.000 1.273 238 Y CB 0.234 38.455 38.460 -0.398 0.000 1.138 238 Y HN -0.720 7.317 8.280 -0.367 0.023 0.522 239 A N 0.000 122.743 122.820 -0.128 0.000 2.254 239 A HA 0.000 4.258 4.320 -0.103 0.000 0.244 239 A CA 0.000 51.970 52.037 -0.112 0.000 0.836 239 A CB 0.000 18.928 19.000 -0.120 0.000 0.831 239 A HN 0.000 8.047 8.150 -0.171 0.000 0.486