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 1pq7_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 4.166 4.170 -0.006 0.000 0.288 16 I C 0.000 176.115 176.117 -0.003 0.000 1.063 16 I CA 0.000 61.291 61.300 -0.015 0.000 1.566 16 I CB 0.000 37.973 38.000 -0.046 0.000 1.214 17 V N 5.589 125.506 119.914 0.006 0.000 2.427 17 V HA 0.265 4.390 4.120 0.009 0.000 0.286 17 V C 0.678 176.778 176.094 0.010 0.000 1.034 17 V CA -1.596 60.710 62.300 0.010 0.000 0.893 17 V CB 0.613 32.445 31.823 0.015 0.000 0.982 17 V HN 0.591 8.787 8.190 0.009 0.000 0.452 18 G N 6.309 115.114 108.800 0.009 0.000 2.147 18 G HA2 -0.362 3.603 3.960 0.008 0.000 0.244 18 G HA3 -0.362 3.753 3.960 0.012 -0.148 0.244 18 G C -0.659 174.244 174.900 0.005 0.000 1.005 18 G CA 0.252 45.357 45.100 0.009 0.000 0.713 18 G HN 0.560 8.855 8.290 0.008 0.000 0.515 19 G N -1.816 106.984 108.800 -0.001 0.000 2.531 19 G HA2 0.436 4.462 3.960 -0.001 0.000 0.313 19 G HA3 0.436 4.412 3.960 -0.015 -0.024 0.313 19 G C -1.425 173.472 174.900 -0.006 0.000 1.238 19 G CA -1.153 43.944 45.100 -0.006 0.000 0.994 19 G HN -0.504 7.785 8.290 -0.002 0.000 0.493 20 T N -3.811 110.739 114.554 -0.007 0.000 2.901 20 T HA 0.330 4.676 4.350 -0.007 0.000 0.293 20 T C -0.639 174.052 174.700 -0.014 0.000 1.084 20 T CA -2.181 59.915 62.100 -0.007 0.000 1.008 20 T CB 1.910 70.778 68.868 -0.001 0.000 1.170 20 T HN 0.293 8.529 8.240 -0.006 0.000 0.509 21 S N 1.576 117.268 115.700 -0.013 0.000 2.533 21 S HA -0.045 4.551 4.470 -0.035 -0.147 0.282 21 S C 0.390 174.982 174.600 -0.013 0.000 1.304 21 S CA 0.299 58.487 58.200 -0.019 0.000 1.063 21 S CB 0.219 63.413 63.200 -0.010 0.000 0.881 21 S HN 0.104 8.409 8.310 -0.009 0.000 0.493 22 A N 6.799 129.611 122.820 -0.013 0.000 2.462 22 A HA -0.119 4.310 4.320 0.026 -0.093 0.243 22 A C -0.569 177.006 177.584 -0.016 0.000 1.076 22 A CA 0.130 52.177 52.037 0.016 0.000 0.773 22 A CB 0.844 19.897 19.000 0.088 0.000 1.010 22 A HN -0.040 8.086 8.150 -0.039 0.000 0.493 23 S N 2.988 118.659 115.700 -0.048 0.000 2.632 23 S HA 0.048 4.499 4.470 -0.032 0.000 0.271 23 S C -0.267 174.298 174.600 -0.059 0.000 1.260 23 S CA -0.541 57.628 58.200 -0.053 0.000 1.010 23 S CB 1.360 64.518 63.200 -0.070 0.000 0.965 23 S HN -0.054 8.526 8.310 -0.070 -0.313 0.534 24 A N 1.786 124.584 122.820 -0.037 0.000 2.567 24 A HA -0.178 4.132 4.320 -0.016 0.000 0.240 24 A C 0.985 178.528 177.584 -0.067 0.000 1.053 24 A CA 1.598 53.616 52.037 -0.032 0.000 0.755 24 A CB -0.412 18.579 19.000 -0.016 0.000 0.978 24 A HN 0.336 8.469 8.150 -0.028 0.000 0.507 25 G N 3.814 112.570 108.800 -0.074 0.000 2.179 25 G HA2 -0.380 3.528 3.960 -0.086 0.000 0.260 25 G HA3 -0.380 3.527 3.960 -0.089 0.000 0.260 25 G C 0.130 174.908 174.900 -0.203 0.000 0.977 25 G CA 0.420 45.457 45.100 -0.105 0.000 0.641 25 G HN 0.365 8.625 8.290 -0.050 0.000 0.533 26 D N 0.952 121.171 120.400 -0.302 0.000 2.144 26 D HA -0.173 4.144 4.640 -0.538 0.000 0.199 26 D C 0.098 175.790 176.300 -1.012 0.000 0.984 26 D CA 2.526 56.133 54.000 -0.656 0.000 0.834 26 D CB 0.432 40.744 40.800 -0.814 0.000 0.955 26 D HN -0.208 7.961 8.370 -0.226 0.065 0.465 27 F N -5.165 114.635 119.950 -0.250 0.000 2.809 27 F HA 0.465 4.647 4.527 -0.574 0.000 0.369 27 F C -2.041 173.418 175.800 -0.569 0.000 1.225 27 F CA -3.654 54.009 58.000 -0.562 0.000 1.201 27 F CB -0.267 38.339 39.000 -0.657 0.000 1.527 27 F HN -0.586 7.512 8.300 -0.300 0.022 0.565 28 P HA -0.080 4.459 4.420 -0.061 -0.155 0.219 28 P C 0.534 177.826 177.300 -0.014 0.000 1.146 28 P CA 1.838 64.894 63.100 -0.073 0.000 0.808 28 P CB 0.205 31.917 31.700 0.019 0.000 0.779 29 F N -7.581 112.460 119.950 0.152 0.000 2.765 29 F HA 0.419 5.196 4.527 0.163 -0.153 0.302 29 F C -0.397 175.514 175.800 0.186 0.000 1.111 29 F CA -2.535 55.567 58.000 0.170 0.000 1.359 29 F CB -0.486 38.620 39.000 0.176 0.000 1.097 29 F HN -0.434 7.483 8.300 -0.555 0.049 0.577 30 I N 2.133 122.584 120.570 -0.198 0.000 2.588 30 I HA 0.128 4.535 4.170 0.154 -0.145 0.283 30 I C -0.916 175.331 176.117 0.215 0.000 1.119 30 I CA -0.095 61.227 61.300 0.037 0.000 1.419 30 I CB 1.176 39.130 38.000 -0.077 0.000 1.394 30 I HN -0.564 7.256 8.210 -0.393 0.154 0.562 31 V N 2.896 122.968 119.914 0.264 0.000 2.769 31 V HA 0.975 5.368 4.120 0.193 -0.157 0.312 31 V C -1.165 175.055 176.094 0.211 0.000 1.061 31 V CA -3.116 59.309 62.300 0.209 0.000 0.931 31 V CB 3.450 35.359 31.823 0.143 0.000 1.010 31 V HN 0.304 8.654 8.190 0.266 0.000 0.433 32 S N 1.824 117.459 115.700 -0.108 0.000 2.586 32 S HA 0.263 4.622 4.470 -0.184 0.000 0.274 32 S C -0.362 174.173 174.600 -0.108 0.000 1.281 32 S CA -1.108 56.874 58.200 -0.363 0.000 1.035 32 S CB 1.485 64.031 63.200 -1.090 0.000 0.962 32 S HN -0.021 8.200 8.310 -0.149 0.000 0.512 33 I N 4.229 124.799 120.570 -0.001 0.000 2.405 33 I HA 0.339 4.719 4.170 0.095 -0.153 0.280 33 I C -0.724 175.502 176.117 0.183 0.000 1.027 33 I CA -0.980 60.392 61.300 0.120 0.000 1.161 33 I CB 0.686 38.791 38.000 0.175 0.000 1.300 33 I HN 0.700 8.918 8.210 0.014 0.000 0.463 34 S N 7.727 123.488 115.700 0.102 0.000 2.601 34 S HA 0.462 5.129 4.470 0.107 -0.133 0.271 34 S C -1.255 173.394 174.600 0.081 0.000 1.305 34 S CA 0.542 58.790 58.200 0.080 0.000 1.022 34 S CB 1.299 64.487 63.200 -0.020 0.000 0.940 34 S HN 0.327 8.669 8.310 0.054 0.000 0.525 35 R N 1.709 122.171 120.500 -0.063 0.000 2.574 35 R HA 0.493 4.753 4.340 -0.524 -0.234 0.288 35 R C -0.619 175.452 176.300 -0.381 0.000 1.004 35 R CA -0.703 55.130 56.100 -0.446 0.000 0.895 35 R CB 2.814 32.534 30.300 -0.967 0.000 1.191 35 R HN 0.281 8.549 8.270 -0.002 0.000 0.444 36 N N 5.730 124.193 118.700 -0.396 0.000 2.725 36 N HA -0.376 4.208 4.740 -0.259 0.000 0.249 36 N C -0.077 175.331 175.510 -0.170 0.000 1.103 36 N CA 1.545 54.429 53.050 -0.277 0.000 0.707 36 N CB -1.572 36.737 38.487 -0.296 0.000 1.043 36 N HN 0.990 9.095 8.380 -0.459 0.000 0.553 37 G N -5.821 102.896 108.800 -0.138 0.000 2.205 37 G HA2 -0.374 3.539 3.960 -0.078 0.000 0.261 37 G HA3 -0.374 3.538 3.960 -0.079 0.000 0.261 37 G C -0.572 174.291 174.900 -0.061 0.000 0.980 37 G CA 0.527 45.575 45.100 -0.086 0.000 0.632 37 G HN 0.353 8.525 8.290 -0.156 0.025 0.533 38 G N -0.041 108.727 108.800 -0.053 0.000 2.597 38 G HA2 0.549 4.505 3.960 -0.007 0.000 0.317 38 G HA3 0.549 4.512 3.960 0.005 0.000 0.317 38 G C -3.181 171.749 174.900 0.050 0.000 1.230 38 G CA -2.337 42.761 45.100 -0.004 0.000 0.996 38 G HN -0.443 7.624 8.290 -0.081 0.175 0.490 39 P HA -0.173 4.294 4.420 0.078 0.000 0.269 39 P C -1.905 175.571 177.300 0.294 0.000 1.209 39 P CA 0.533 63.709 63.100 0.126 0.000 0.776 39 P CB 0.850 32.615 31.700 0.109 0.000 0.876 40 W N 1.889 123.205 121.300 0.026 0.000 5.450 40 W HA 0.203 4.892 4.660 0.047 0.000 0.164 40 W C -1.941 174.630 176.519 0.086 0.000 1.291 40 W CA 0.392 57.770 57.345 0.055 0.000 1.920 40 W CB 1.962 31.463 29.460 0.069 0.000 0.571 40 W HN 0.084 8.413 8.180 0.249 0.000 1.104 41 C N -5.770 113.597 119.300 0.112 0.000 3.284 41 C HA 0.868 5.492 4.460 -0.040 -0.188 0.348 41 C C -1.823 173.245 174.990 0.130 0.000 1.448 41 C CA -1.648 57.370 59.018 -0.001 0.000 1.223 41 C CB 2.563 30.214 27.740 -0.149 0.000 1.588 41 C HN -0.057 8.321 8.230 0.246 0.000 0.451 42 G N -1.671 107.207 108.800 0.130 0.000 2.735 42 G HA2 0.852 5.081 3.960 0.256 0.000 0.301 42 G HA3 0.852 4.962 3.960 0.250 0.000 0.301 42 G C -2.313 172.668 174.900 0.136 0.000 1.279 42 G CA -1.781 43.444 45.100 0.208 0.000 1.019 42 G HN 0.373 8.706 8.290 0.073 0.000 0.497 43 G N -3.659 105.244 108.800 0.172 0.000 2.548 43 G HA2 0.445 4.745 3.960 0.122 0.000 0.301 43 G HA3 0.445 4.476 3.960 0.119 0.000 0.301 43 G C -2.750 172.281 174.900 0.219 0.000 1.349 43 G CA 0.258 45.446 45.100 0.147 0.000 0.792 43 G HN -0.242 8.182 8.290 0.224 0.000 0.481 44 S N -0.600 115.233 115.700 0.222 0.000 2.594 44 S HA 0.580 5.507 4.470 0.508 -0.152 0.296 44 S C -1.501 173.250 174.600 0.251 0.000 1.124 44 S CA -0.627 57.781 58.200 0.347 0.000 1.011 44 S CB 3.324 66.688 63.200 0.273 0.000 1.016 44 S HN 0.230 8.638 8.310 0.164 0.000 0.485 45 L N 6.551 127.975 121.223 0.336 0.000 2.369 45 L HA 0.154 4.739 4.340 0.180 -0.137 0.279 45 L C -0.800 176.199 176.870 0.216 0.000 1.108 45 L CA -0.252 54.747 54.840 0.265 0.000 0.852 45 L CB 0.340 42.611 42.059 0.354 0.000 1.169 45 L HN 0.660 9.055 8.230 0.455 0.108 0.452 46 L N 5.882 127.135 121.223 0.049 0.000 2.249 46 L HA -0.052 4.281 4.340 -0.012 0.000 0.207 46 L C 0.021 176.749 176.870 -0.237 0.000 1.090 46 L CA 1.165 55.977 54.840 -0.048 0.000 0.802 46 L CB 0.428 42.442 42.059 -0.075 0.000 0.947 46 L HN 0.533 8.780 8.230 0.028 0.000 0.453 47 N N -5.752 112.666 118.700 -0.470 0.000 3.339 47 N HA 0.052 3.579 4.740 -2.021 0.000 0.275 47 N C -0.840 174.209 175.510 -0.770 0.000 1.514 47 N CA -0.428 52.003 53.050 -1.031 0.000 0.879 47 N CB 0.912 39.090 38.487 -0.515 0.000 1.557 47 N HN -0.907 7.301 8.380 -0.287 0.000 0.524 48 A N -3.271 119.192 122.820 -0.595 0.000 2.024 48 A HA -0.136 4.423 4.320 0.095 -0.181 0.220 48 A C 0.804 178.366 177.584 -0.036 0.000 1.164 48 A CA 2.510 54.489 52.037 -0.096 0.000 0.643 48 A CB -0.130 18.888 19.000 0.030 0.000 0.806 48 A HN 0.435 8.214 8.150 -0.619 0.000 0.451 49 N N -4.978 113.664 118.700 -0.097 0.000 2.204 49 N HA 0.252 4.982 4.740 -0.016 0.000 0.219 49 N C -1.673 173.811 175.510 -0.043 0.000 1.151 49 N CA -0.427 52.596 53.050 -0.046 0.000 0.867 49 N CB 2.268 40.728 38.487 -0.045 0.000 1.043 49 N HN -0.306 8.169 8.380 -0.163 -0.192 0.516 50 T N 1.915 116.435 114.554 -0.056 0.000 3.032 50 T HA 0.600 5.145 4.350 -0.033 -0.214 0.312 50 T C -2.290 172.401 174.700 -0.014 0.000 1.078 50 T CA -0.059 62.014 62.100 -0.046 0.000 1.028 50 T CB 3.395 72.216 68.868 -0.079 0.000 1.091 50 T HN -0.604 7.629 8.240 -0.080 -0.040 0.457 51 V N 4.998 124.914 119.914 0.003 0.000 2.604 51 V HA 0.684 5.019 4.120 0.055 -0.182 0.305 51 V C -2.382 173.723 176.094 0.020 0.000 1.043 51 V CA -1.970 60.350 62.300 0.033 0.000 0.888 51 V CB 3.435 35.285 31.823 0.044 0.000 0.995 51 V HN 0.714 8.900 8.190 -0.007 0.000 0.429 52 L N 7.872 129.120 121.223 0.042 0.000 2.275 52 L HA 0.804 5.338 4.340 0.042 -0.169 0.288 52 L C -1.703 175.200 176.870 0.056 0.000 1.046 52 L CA -1.373 53.496 54.840 0.048 0.000 0.805 52 L CB 2.361 44.453 42.059 0.054 0.000 1.193 52 L HN 0.592 8.858 8.230 0.060 0.000 0.426 53 T N 5.311 119.884 114.554 0.032 0.000 2.696 53 T HA 0.510 5.050 4.350 0.026 -0.174 0.291 53 T C -1.976 172.706 174.700 -0.031 0.000 1.095 53 T CA -3.108 58.993 62.100 0.001 0.000 1.026 53 T CB 2.166 71.012 68.868 -0.036 0.000 1.390 53 T HN 0.253 8.513 8.240 0.033 0.000 0.513 54 A N -0.152 122.608 122.820 -0.101 0.000 2.388 54 A HA 0.334 4.811 4.320 -0.087 -0.209 0.257 54 A C 0.862 178.302 177.584 -0.240 0.000 1.095 54 A CA -0.658 51.283 52.037 -0.159 0.000 0.791 54 A CB 0.838 19.680 19.000 -0.264 0.000 1.029 54 A HN 0.415 8.497 8.150 -0.113 0.000 0.489 55 A N 4.791 127.425 122.820 -0.310 0.000 1.940 55 A HA -0.292 3.807 4.320 -0.369 0.000 0.219 55 A C 1.481 178.884 177.584 -0.302 0.000 1.176 55 A CA 3.173 54.906 52.037 -0.507 0.000 0.631 55 A CB -0.671 17.558 19.000 -1.284 0.000 0.814 55 A HN 0.608 8.577 8.150 -0.285 0.010 0.446 56 H N -4.789 114.216 119.070 -0.109 0.000 2.521 56 H HA -0.163 4.495 4.556 0.169 0.000 0.286 56 H C 1.177 176.649 175.328 0.239 0.000 1.034 56 H CA 2.479 58.601 56.048 0.124 0.000 1.278 56 H CB -1.396 28.468 29.762 0.170 0.000 1.386 56 H HN -0.082 8.433 8.280 -0.069 -0.276 0.567 57 C N -2.295 116.881 119.300 -0.207 0.000 2.432 57 C HA -0.155 4.454 4.460 0.248 0.000 0.280 57 C C 1.403 176.717 174.990 0.540 0.000 1.353 57 C CA 2.961 62.065 59.018 0.142 0.000 1.766 57 C CB -1.315 26.370 27.740 -0.091 0.000 1.924 57 C HN -0.310 7.616 8.230 -0.448 0.035 0.509 58 V N -6.430 113.622 119.914 0.231 0.000 3.480 58 V HA 0.185 4.496 4.120 0.319 0.000 0.263 58 V C -0.284 175.900 176.094 0.149 0.000 1.442 58 V CA 0.099 62.484 62.300 0.142 0.000 1.053 58 V CB 1.003 32.678 31.823 -0.248 0.000 0.846 58 V HN -0.511 7.579 8.190 0.091 0.155 0.440 59 S N 3.533 119.233 115.700 0.001 0.000 2.546 59 S HA -0.214 4.241 4.470 -0.024 0.000 0.290 59 S C 1.211 175.702 174.600 -0.181 0.000 1.262 59 S CA 2.527 60.697 58.200 -0.049 0.000 1.083 59 S CB -0.171 63.063 63.200 0.056 0.000 0.859 59 S HN -0.061 8.259 8.310 0.018 0.000 0.495 60 G N 6.342 115.098 108.800 -0.073 0.000 2.220 60 G HA2 -0.361 3.589 3.960 -0.018 0.000 0.269 60 G HA3 -0.361 3.524 3.960 -0.125 0.000 0.269 60 G C -1.064 173.826 174.900 -0.018 0.000 0.977 60 G CA 0.304 45.359 45.100 -0.075 0.000 0.634 60 G HN 0.495 8.776 8.290 -0.015 0.000 0.539 61 Y N 0.366 120.757 120.300 0.152 0.000 2.298 61 Y HA -0.085 4.507 4.550 0.070 0.000 0.329 61 Y C -0.443 175.527 175.900 0.116 0.000 1.293 61 Y CA -1.549 56.631 58.100 0.134 0.000 1.388 61 Y CB 0.643 39.242 38.460 0.231 0.000 1.309 61 Y HN -0.744 7.508 8.280 0.088 0.081 0.544 62 A N 0.196 123.126 122.820 0.182 0.000 2.476 62 A HA 0.014 4.388 4.320 0.090 0.000 0.275 62 A C 1.038 178.678 177.584 0.094 0.000 1.133 62 A CA 0.269 52.349 52.037 0.071 0.000 0.797 62 A CB -0.344 18.634 19.000 -0.036 0.000 1.081 62 A HN 0.134 8.371 8.150 0.146 0.000 0.510 63 Q N 6.264 126.186 119.800 0.203 0.000 2.234 63 Q HA -0.373 4.372 4.340 0.674 0.000 0.206 63 Q C 1.186 177.302 176.000 0.194 0.000 0.980 63 Q CA 2.755 58.762 55.803 0.339 0.000 0.869 63 Q CB -0.507 28.360 28.738 0.215 0.000 0.912 63 Q HN 0.713 9.083 8.270 0.167 0.000 0.436 64 S N -2.237 113.487 115.700 0.040 0.000 2.500 64 S HA -0.195 4.288 4.470 0.022 0.000 0.239 64 S C 1.181 175.713 174.600 -0.113 0.000 0.989 64 S CA 1.816 60.008 58.200 -0.014 0.000 0.951 64 S CB -0.735 62.447 63.200 -0.030 0.000 0.759 64 S HN -0.035 8.264 8.310 0.029 0.029 0.523 65 G N -0.381 108.249 108.800 -0.284 0.000 2.650 65 G HA2 -0.057 3.691 3.960 -0.352 0.000 0.214 65 G HA3 -0.057 3.491 3.960 -0.685 0.000 0.214 65 G C -0.838 173.717 174.900 -0.575 0.000 1.136 65 G CA 0.259 45.057 45.100 -0.503 0.000 0.789 65 G HN -0.550 7.459 8.290 -0.274 0.117 0.536 66 F N -0.337 119.554 119.950 -0.098 0.000 2.399 66 F HA 0.719 5.418 4.527 -0.102 -0.233 0.334 66 F C -1.431 174.341 175.800 -0.047 0.000 1.097 66 F CA -1.173 56.782 58.000 -0.075 0.000 1.076 66 F CB 2.322 41.302 39.000 -0.033 0.000 1.162 66 F HN -0.606 7.555 8.300 -0.122 0.066 0.495 67 Q N 1.834 121.718 119.800 0.140 0.000 2.304 67 Q HA 0.476 4.989 4.340 0.076 -0.128 0.270 67 Q C -1.722 174.317 176.000 0.064 0.000 1.035 67 Q CA -1.293 54.553 55.803 0.071 0.000 0.781 67 Q CB 4.386 33.130 28.738 0.010 0.000 1.261 67 Q HN 0.265 8.626 8.270 0.151 0.000 0.444 68 I N 6.208 126.811 120.570 0.054 0.000 2.440 68 I HA 0.650 5.047 4.170 0.033 -0.208 0.294 68 I C -1.272 174.851 176.117 0.009 0.000 0.995 68 I CA -1.455 59.867 61.300 0.036 0.000 1.306 68 I CB 1.514 39.545 38.000 0.051 0.000 1.407 68 I HN 0.607 8.852 8.210 0.058 0.000 0.501 69 R N 6.188 126.676 120.500 -0.019 0.000 2.575 69 R HA 0.644 5.165 4.340 0.001 -0.180 0.293 69 R C -2.354 173.956 176.300 0.017 0.000 0.983 69 R CA -1.742 54.345 56.100 -0.021 0.000 0.887 69 R CB 3.993 34.245 30.300 -0.079 0.000 1.184 69 R HN 0.204 8.453 8.270 -0.034 0.000 0.445 70 A N 3.795 126.647 122.820 0.053 0.000 2.354 70 A HA 0.720 5.107 4.320 0.112 0.000 0.321 70 A C -1.009 176.622 177.584 0.078 0.000 1.125 70 A CA -2.347 49.744 52.037 0.090 0.000 0.799 70 A CB 3.255 22.320 19.000 0.108 0.000 1.293 70 A HN 0.443 8.621 8.150 0.046 0.000 0.452 71 G N -0.632 108.221 108.800 0.089 0.000 2.136 71 G HA2 -0.447 3.547 3.960 0.057 0.000 0.242 71 G HA3 -0.447 3.544 3.960 0.052 0.000 0.242 71 G C -1.408 173.537 174.900 0.075 0.000 0.989 71 G CA 0.385 45.524 45.100 0.066 0.000 0.682 71 G HN 0.643 8.995 8.290 0.104 0.000 0.522 72 S N -1.834 113.935 115.700 0.116 0.000 2.569 72 S HA 0.211 4.744 4.470 0.105 0.000 0.280 72 S C -0.245 174.504 174.600 0.248 0.000 1.111 72 S CA -2.022 56.259 58.200 0.135 0.000 0.887 72 S CB 1.336 64.593 63.200 0.094 0.000 1.095 72 S HN -0.536 7.820 8.310 0.140 0.038 0.476 73 L N 2.699 124.057 121.223 0.225 0.000 2.492 73 L HA 0.115 4.655 4.340 0.334 0.000 0.223 73 L C -0.118 177.046 176.870 0.490 0.000 1.132 73 L CA 0.350 55.369 54.840 0.299 0.000 0.850 73 L CB 0.098 42.248 42.059 0.151 0.000 0.966 73 L HN 0.417 8.743 8.230 0.160 0.000 0.454 74 S N -2.566 113.331 115.700 0.328 0.000 2.608 74 S HA 0.330 5.240 4.470 0.382 -0.210 0.291 74 S C -0.046 174.523 174.600 -0.052 0.000 1.146 74 S CA -1.546 56.796 58.200 0.236 0.000 1.043 74 S CB 1.731 64.995 63.200 0.107 0.000 1.037 74 S HN -0.585 7.820 8.310 0.228 0.041 0.520 75 R N 4.215 124.506 120.500 -0.349 0.000 2.193 75 R HA -0.029 3.866 4.340 -0.742 0.000 0.213 75 R C 1.112 177.260 176.300 -0.252 0.000 1.055 75 R CA 2.287 58.053 56.100 -0.555 0.000 0.995 75 R CB 0.867 30.782 30.300 -0.641 0.000 0.893 75 R HN 0.441 8.564 8.270 -0.244 0.000 0.459 76 T N -6.109 108.367 114.554 -0.129 0.000 3.044 76 T HA 0.176 4.474 4.350 -0.087 0.000 0.260 76 T C -1.179 173.496 174.700 -0.041 0.000 1.019 76 T CA -0.586 61.468 62.100 -0.076 0.000 0.921 76 T CB 0.938 69.777 68.868 -0.049 0.000 1.053 76 T HN -0.301 7.829 8.240 -0.100 0.049 0.533 77 S N -1.089 114.594 115.700 -0.028 0.000 2.615 77 S HA 0.030 4.493 4.470 -0.012 0.000 0.269 77 S C -1.587 173.016 174.600 0.005 0.000 1.161 77 S CA -0.346 57.849 58.200 -0.008 0.000 0.817 77 S CB 1.901 65.103 63.200 0.003 0.000 1.131 77 S HN -0.937 7.354 8.310 -0.031 0.000 0.467 78 G N -0.774 108.033 108.800 0.011 0.000 2.730 78 G HA2 -0.300 3.672 3.960 0.020 0.000 0.686 78 G HA3 -0.300 3.678 3.960 0.030 0.000 0.686 78 G C -0.545 174.367 174.900 0.020 0.000 1.343 78 G CA -0.290 44.823 45.100 0.021 0.000 0.826 78 G HN 0.289 8.583 8.290 0.007 0.000 0.582 79 G N 0.991 109.807 108.800 0.026 0.000 2.575 79 G HA2 -0.355 3.623 3.960 0.030 0.000 0.267 79 G HA3 -0.355 3.823 3.960 0.036 -0.197 0.267 79 G C -0.929 173.986 174.900 0.024 0.000 1.264 79 G CA 0.136 45.254 45.100 0.029 0.000 0.935 79 G HN 0.030 8.336 8.290 0.025 0.000 0.568 80 I N 3.092 123.680 120.570 0.029 0.000 2.498 80 I HA 0.342 4.527 4.170 0.024 0.000 0.290 80 I C -0.662 175.472 176.117 0.028 0.000 1.032 80 I CA -1.811 59.507 61.300 0.030 0.000 1.073 80 I CB 1.847 39.871 38.000 0.040 0.000 1.251 80 I HN 0.116 8.347 8.210 0.035 0.000 0.426 81 T N 3.252 117.819 114.554 0.021 0.000 2.952 81 T HA 0.834 5.382 4.350 0.018 -0.187 0.286 81 T C -0.536 174.179 174.700 0.026 0.000 1.024 81 T CA -1.937 60.173 62.100 0.018 0.000 1.029 81 T CB 1.956 70.827 68.868 0.004 0.000 1.094 81 T HN 0.145 8.396 8.240 0.019 0.000 0.515 82 S N 1.036 116.753 115.700 0.029 0.000 2.537 82 S HA 0.311 4.798 4.470 0.028 0.000 0.270 82 S C -1.285 173.337 174.600 0.037 0.000 1.142 82 S CA -0.882 57.337 58.200 0.033 0.000 0.870 82 S CB 2.312 65.536 63.200 0.039 0.000 1.112 82 S HN 0.288 8.615 8.310 0.028 0.000 0.466 83 S N 4.174 119.895 115.700 0.035 0.000 2.661 83 S HA 0.259 4.764 4.470 0.059 0.000 0.265 83 S C -0.659 173.972 174.600 0.053 0.000 1.225 83 S CA -0.613 57.615 58.200 0.047 0.000 0.986 83 S CB 1.598 64.818 63.200 0.033 0.000 1.008 83 S HN 0.357 8.685 8.310 0.029 0.000 0.565 84 L N -1.158 120.107 121.223 0.069 0.000 2.325 84 L HA 0.372 4.859 4.340 0.044 -0.120 0.279 84 L C 1.138 178.035 176.870 0.044 0.000 1.054 84 L CA -0.716 54.159 54.840 0.059 0.000 0.804 84 L CB 1.694 43.802 42.059 0.082 0.000 1.200 84 L HN 0.422 8.702 8.230 0.084 0.000 0.436 85 S N 2.629 118.347 115.700 0.029 0.000 2.456 85 S HA 0.016 4.501 4.470 0.024 0.000 0.224 85 S C 0.025 174.637 174.600 0.020 0.000 1.035 85 S CA 1.021 59.234 58.200 0.022 0.000 0.940 85 S CB 1.169 64.378 63.200 0.014 0.000 0.799 85 S HN 0.816 9.036 8.310 0.024 0.104 0.508 86 S N -1.181 114.527 115.700 0.014 0.000 2.587 86 S HA 0.237 5.018 4.470 0.015 -0.302 0.269 86 S C -2.087 172.510 174.600 -0.006 0.000 1.154 86 S CA -0.033 58.171 58.200 0.006 0.000 0.824 86 S CB 2.804 66.001 63.200 -0.004 0.000 1.118 86 S HN -0.755 7.562 8.310 0.012 0.000 0.462 87 V N 0.276 120.183 119.914 -0.011 0.000 2.638 87 V HA 0.389 4.618 4.120 -0.037 -0.131 0.306 87 V C -1.104 174.969 176.094 -0.035 0.000 1.052 87 V CA -0.867 61.417 62.300 -0.027 0.000 0.885 87 V CB 2.811 34.622 31.823 -0.021 0.000 0.999 87 V HN 0.338 8.524 8.190 -0.006 0.000 0.424 88 R N 8.454 128.933 120.500 -0.035 0.000 2.483 88 R HA 0.464 4.770 4.340 -0.056 0.000 0.303 88 R C -1.945 174.387 176.300 0.053 0.000 0.987 88 R CA -1.205 54.872 56.100 -0.039 0.000 0.881 88 R CB 3.143 33.356 30.300 -0.144 0.000 1.177 88 R HN 0.401 8.656 8.270 -0.025 0.000 0.451 89 V N 1.989 121.888 119.914 -0.026 0.000 2.904 89 V HA 0.176 4.345 4.120 -0.099 -0.107 0.305 89 V C -0.851 175.072 176.094 -0.286 0.000 1.067 89 V CA -1.953 60.276 62.300 -0.118 0.000 1.044 89 V CB 1.559 33.279 31.823 -0.171 0.000 1.050 89 V HN 0.236 8.400 8.190 -0.043 0.000 0.475 90 H N 3.880 122.524 119.070 -0.711 0.000 3.001 90 H HA -0.028 3.240 4.556 -2.148 0.000 0.334 90 H C 0.607 175.680 175.328 -0.425 0.000 1.034 90 H CA 0.977 56.355 56.048 -1.116 0.000 1.420 90 H CB 1.057 30.326 29.762 -0.821 0.000 1.405 90 H HN -0.221 7.803 8.280 -0.426 0.000 0.593 91 P HA 0.002 4.377 4.420 -0.075 0.000 0.230 91 P C -0.455 176.892 177.300 0.078 0.000 1.158 91 P CA 1.448 64.483 63.100 -0.110 0.000 0.769 91 P CB 0.314 31.951 31.700 -0.106 0.000 0.807 92 S N -2.960 112.938 115.700 0.331 0.000 2.602 92 S HA 0.045 4.585 4.470 0.116 0.000 0.240 92 S C -0.884 173.800 174.600 0.140 0.000 0.992 92 S CA -0.615 57.710 58.200 0.209 0.000 0.971 92 S CB 0.576 63.884 63.200 0.180 0.000 0.855 92 S HN -0.444 8.273 8.310 0.763 0.051 0.481 93 Y N 4.255 124.558 120.300 0.005 0.000 2.717 93 Y HA -0.104 4.595 4.550 -0.103 -0.212 0.330 93 Y C -0.627 175.235 175.900 -0.064 0.000 1.217 93 Y CA 0.995 59.056 58.100 -0.065 0.000 1.506 93 Y CB 0.299 38.724 38.460 -0.059 0.000 1.268 93 Y HN -0.558 7.734 8.280 0.290 0.161 0.561 94 S N 8.052 123.489 115.700 -0.439 0.000 2.605 94 S HA 0.105 4.248 4.470 -0.546 0.000 0.279 94 S C -0.656 173.664 174.600 -0.467 0.000 1.166 94 S CA -0.345 57.582 58.200 -0.456 0.000 0.975 94 S CB 0.823 63.890 63.200 -0.222 0.000 1.111 94 S HN 0.138 8.255 8.310 -0.321 0.000 0.465 95 G N 7.254 115.749 108.800 -0.508 0.000 2.611 95 G HA2 -0.399 3.337 3.960 -0.373 0.000 0.301 95 G HA3 -0.399 3.352 3.960 -0.347 0.000 0.301 95 G C -1.123 173.538 174.900 -0.399 0.000 1.233 95 G CA 0.932 45.788 45.100 -0.406 0.000 0.993 95 G HN 0.220 8.196 8.290 -0.525 0.000 0.553 96 N N 3.543 122.003 118.700 -0.400 0.000 2.412 96 N HA -0.136 4.464 4.740 -0.234 0.000 0.184 96 N C -1.244 174.200 175.510 -0.109 0.000 1.101 96 N CA 0.169 53.000 53.050 -0.366 0.000 0.881 96 N CB 0.278 38.158 38.487 -1.012 0.000 0.969 96 N HN 0.096 8.207 8.380 -0.448 0.000 0.459 97 N N -0.189 118.443 118.700 -0.113 0.000 2.514 97 N HA -0.046 4.694 4.740 0.001 0.000 0.277 97 N C -0.935 174.602 175.510 0.044 0.000 1.126 97 N CA 0.579 53.610 53.050 -0.032 0.000 0.978 97 N CB 1.021 39.462 38.487 -0.077 0.000 1.106 97 N HN -0.549 7.649 8.380 -0.195 0.065 0.461 98 N N -0.421 118.271 118.700 -0.015 0.000 2.756 98 N HA -0.383 4.222 4.740 -0.224 0.000 0.248 98 N C -1.436 174.061 175.510 -0.022 0.000 1.062 98 N CA 1.381 54.333 53.050 -0.164 0.000 0.696 98 N CB -1.115 37.106 38.487 -0.444 0.000 0.946 98 N HN 0.805 9.177 8.380 -0.012 0.000 0.548 99 D N -0.222 120.211 120.400 0.055 0.000 2.845 99 D HA 0.059 4.636 4.640 -0.104 0.000 0.235 99 D C -1.800 174.459 176.300 -0.069 0.000 1.158 99 D CA -0.583 53.430 54.000 0.021 0.000 0.990 99 D CB -0.829 40.088 40.800 0.196 0.000 1.094 99 D HN 0.119 8.527 8.370 0.063 0.000 0.486 100 L N 0.011 121.158 121.223 -0.127 0.000 2.388 100 L HA 0.784 5.300 4.340 -0.003 -0.178 0.264 100 L C -2.419 174.439 176.870 -0.020 0.000 0.998 100 L CA -1.384 53.455 54.840 -0.002 0.000 0.817 100 L CB 4.909 47.083 42.059 0.192 0.000 1.338 100 L HN -0.440 7.609 8.230 -0.184 0.071 0.414 101 A N -0.392 122.477 122.820 0.082 0.000 2.515 101 A HA 0.848 5.450 4.320 0.246 -0.135 0.298 101 A C -2.242 175.436 177.584 0.157 0.000 1.059 101 A CA -1.591 50.525 52.037 0.131 0.000 0.698 101 A CB 4.182 23.151 19.000 -0.051 0.000 1.289 101 A HN 0.757 8.947 8.150 0.068 0.000 0.404 102 I N 1.094 121.750 120.570 0.143 0.000 2.336 102 I HA 0.524 4.834 4.170 -0.008 -0.145 0.292 102 I C -1.260 174.842 176.117 -0.025 0.000 0.991 102 I CA -2.039 59.258 61.300 -0.006 0.000 1.227 102 I CB 0.890 38.802 38.000 -0.146 0.000 1.366 102 I HN 0.269 8.620 8.210 0.235 0.000 0.466 103 L N 7.241 128.445 121.223 -0.031 0.000 2.307 103 L HA 0.561 5.039 4.340 -0.039 -0.162 0.284 103 L C -0.531 176.324 176.870 -0.024 0.000 1.023 103 L CA -1.578 53.241 54.840 -0.035 0.000 0.810 103 L CB 1.739 43.771 42.059 -0.045 0.000 1.231 103 L HN 0.839 9.054 8.230 -0.025 0.000 0.423 104 K N 2.235 122.624 120.400 -0.018 0.000 2.159 104 K HA 0.756 5.454 4.320 -0.015 -0.387 0.266 104 K C -0.572 176.029 176.600 0.002 0.000 0.975 104 K CA -2.529 53.752 56.287 -0.011 0.000 0.865 104 K CB 1.932 34.426 32.500 -0.009 0.000 1.087 104 K HN 0.121 8.360 8.250 -0.018 0.000 0.446 105 L N 3.040 124.267 121.223 0.006 0.000 2.325 105 L HA 0.292 4.779 4.340 0.023 -0.132 0.279 105 L C 1.016 177.897 176.870 0.018 0.000 1.054 105 L CA -0.959 53.892 54.840 0.018 0.000 0.804 105 L CB 0.683 42.758 42.059 0.025 0.000 1.200 105 L HN 0.471 8.599 8.230 0.000 0.102 0.436 106 S N 2.940 118.654 115.700 0.023 0.000 2.428 106 S HA -0.196 4.284 4.470 0.017 0.000 0.230 106 S C 0.423 175.035 174.600 0.020 0.000 1.014 106 S CA 2.431 60.643 58.200 0.020 0.000 0.957 106 S CB 0.551 63.764 63.200 0.022 0.000 0.784 106 S HN 0.483 8.809 8.310 0.027 0.000 0.499 107 T N 3.000 117.569 114.554 0.025 0.000 2.792 107 T HA 0.079 4.444 4.350 0.025 0.000 0.280 107 T C -1.725 172.996 174.700 0.035 0.000 0.990 107 T CA -0.484 61.632 62.100 0.028 0.000 0.960 107 T CB 1.444 70.329 68.868 0.028 0.000 0.939 107 T HN -0.503 7.724 8.240 0.028 0.029 0.439 108 S N 5.893 121.614 115.700 0.036 0.000 2.564 108 S HA -0.059 4.617 4.470 0.044 -0.179 0.278 108 S C -0.680 173.962 174.600 0.071 0.000 1.333 108 S CA 0.614 58.843 58.200 0.047 0.000 1.048 108 S CB 0.777 64.002 63.200 0.040 0.000 0.900 108 S HN 0.209 8.538 8.310 0.031 0.000 0.505 109 I N 5.032 125.666 120.570 0.107 0.000 2.382 109 I HA 0.528 4.759 4.170 0.100 0.000 0.286 109 I C -2.168 174.069 176.117 0.200 0.000 1.002 109 I CA -3.213 58.168 61.300 0.135 0.000 1.135 109 I CB 1.608 39.695 38.000 0.146 0.000 1.288 109 I HN 0.393 8.557 8.210 0.111 0.112 0.448 110 P HA 0.364 4.907 4.420 0.206 0.000 0.281 110 P C -0.904 176.406 177.300 0.017 0.000 1.249 110 P CA -1.349 61.827 63.100 0.127 0.000 0.810 110 P CB 0.677 32.418 31.700 0.067 0.000 1.008 111 S N 1.781 117.409 115.700 -0.121 0.000 2.548 111 S HA -0.213 4.108 4.470 -0.423 -0.105 0.277 111 S C -0.266 174.248 174.600 -0.144 0.000 1.315 111 S CA 0.461 58.453 58.200 -0.346 0.000 1.050 111 S CB 0.507 63.385 63.200 -0.536 0.000 0.918 111 S HN -0.036 8.262 8.310 -0.020 0.000 0.497 112 G N 4.791 113.516 108.800 -0.126 0.000 2.329 112 G HA2 -0.154 3.768 3.960 -0.063 0.000 0.308 112 G HA3 -0.154 3.777 3.960 -0.048 0.000 0.308 112 G C -1.449 173.423 174.900 -0.048 0.000 1.587 112 G CA -0.525 44.535 45.100 -0.066 0.000 0.978 112 G HN 0.390 8.584 8.290 -0.160 0.000 0.685 113 G N 1.690 110.470 108.800 -0.034 0.000 2.556 113 G HA2 -0.364 3.584 3.960 -0.020 0.000 0.283 113 G HA3 -0.364 3.586 3.960 -0.018 0.000 0.283 113 G C -0.783 174.101 174.900 -0.028 0.000 1.177 113 G CA 0.323 45.409 45.100 -0.024 0.000 0.978 113 G HN 0.175 8.445 8.290 -0.032 0.000 0.554 114 N N 2.791 121.480 118.700 -0.018 0.000 2.383 114 N HA 0.068 4.792 4.740 -0.026 0.000 0.192 114 N C -0.979 174.522 175.510 -0.015 0.000 1.141 114 N CA 0.310 53.350 53.050 -0.017 0.000 0.851 114 N CB 0.194 38.678 38.487 -0.004 0.000 0.976 114 N HN 0.175 8.548 8.380 -0.011 0.000 0.465 115 I N -0.753 119.801 120.570 -0.027 0.000 2.392 115 I HA 0.298 4.664 4.170 -0.000 -0.196 0.295 115 I C -1.056 174.996 176.117 -0.108 0.000 0.985 115 I CA -0.769 60.511 61.300 -0.034 0.000 1.221 115 I CB 1.847 39.834 38.000 -0.022 0.000 1.366 115 I HN -0.611 7.509 8.210 -0.032 0.070 0.467 116 G N 4.280 113.025 108.800 -0.091 0.000 2.682 116 G HA2 0.392 4.082 3.960 -0.451 0.000 0.290 116 G HA3 0.392 4.301 3.960 -0.086 0.000 0.290 116 G C -2.659 172.227 174.900 -0.022 0.000 1.425 116 G CA -0.643 44.336 45.100 -0.201 0.000 0.807 116 G HN -0.310 7.873 8.290 0.002 0.108 0.482 117 Y N -1.747 118.650 120.300 0.161 0.000 2.387 117 Y HA 0.488 5.296 4.550 0.182 -0.149 0.330 117 Y C 0.107 176.065 175.900 0.097 0.000 1.133 117 Y CA -2.543 55.641 58.100 0.141 0.000 1.152 117 Y CB 1.483 39.982 38.460 0.066 0.000 1.215 117 Y HN 0.105 8.309 8.280 -0.127 0.000 0.466 118 A N 2.511 125.394 122.820 0.104 0.000 2.407 118 A HA -0.012 3.997 4.320 -0.519 0.000 0.248 118 A C -0.424 177.064 177.584 -0.160 0.000 1.082 118 A CA 0.122 51.937 52.037 -0.369 0.000 0.785 118 A CB 0.751 19.294 19.000 -0.762 0.000 1.020 118 A HN 0.272 8.518 8.150 0.160 0.000 0.489 119 R N 0.904 121.306 120.500 -0.165 0.000 2.474 119 R HA 0.307 4.610 4.340 -0.063 0.000 0.295 119 R C -1.123 175.105 176.300 -0.121 0.000 0.980 119 R CA -1.884 54.163 56.100 -0.088 0.000 0.934 119 R CB 1.883 32.165 30.300 -0.029 0.000 1.101 119 R HN 0.370 8.525 8.270 -0.191 0.000 0.469 120 L N 1.085 122.261 121.223 -0.078 0.000 2.331 120 L HA 0.398 4.687 4.340 -0.085 0.000 0.275 120 L C 0.247 177.094 176.870 -0.039 0.000 1.022 120 L CA -1.392 53.409 54.840 -0.065 0.000 0.812 120 L CB 2.163 44.196 42.059 -0.044 0.000 1.257 120 L HN 0.131 8.326 8.230 -0.058 0.000 0.435 121 A N 0.305 123.107 122.820 -0.030 0.000 2.531 121 A HA -0.047 4.253 4.320 -0.035 0.000 0.236 121 A C -0.599 176.975 177.584 -0.016 0.000 1.062 121 A CA 0.163 52.183 52.037 -0.028 0.000 0.760 121 A CB 0.835 19.815 19.000 -0.034 0.000 0.995 121 A HN 0.083 8.216 8.150 -0.029 0.000 0.501 122 A N 1.698 124.506 122.820 -0.019 0.000 2.520 122 A HA -0.188 4.126 4.320 -0.009 0.000 0.235 122 A C 0.008 177.592 177.584 -0.000 0.000 1.065 122 A CA -0.099 51.932 52.037 -0.011 0.000 0.764 122 A CB 0.676 19.668 19.000 -0.013 0.000 1.002 122 A HN 0.224 8.359 8.150 -0.026 0.000 0.502 123 S N 1.608 117.312 115.700 0.007 0.000 2.546 123 S HA -0.448 4.174 4.470 0.029 -0.135 0.290 123 S C 1.759 176.369 174.600 0.016 0.000 1.290 123 S CA 1.609 59.821 58.200 0.019 0.000 1.069 123 S CB -0.052 63.160 63.200 0.020 0.000 0.846 123 S HN -0.022 8.290 8.310 0.004 0.000 0.495 124 G N 7.397 116.212 108.800 0.024 0.000 2.179 124 G HA2 -0.404 3.573 3.960 0.028 0.000 0.260 124 G HA3 -0.404 3.567 3.960 0.018 0.000 0.260 124 G C -0.426 174.478 174.900 0.007 0.000 0.977 124 G CA -0.066 45.046 45.100 0.020 0.000 0.641 124 G HN 0.344 8.654 8.290 0.034 0.000 0.533 125 S N 0.701 116.398 115.700 -0.004 0.000 2.603 125 S HA 0.014 4.469 4.470 -0.025 0.000 0.268 125 S C -1.254 173.323 174.600 -0.037 0.000 1.317 125 S CA 0.328 58.512 58.200 -0.026 0.000 1.012 125 S CB 1.671 64.847 63.200 -0.042 0.000 0.926 125 S HN -0.418 7.815 8.310 -0.001 0.076 0.539 126 D N 0.451 120.812 120.400 -0.064 0.000 2.890 126 D HA 0.311 4.893 4.640 -0.096 0.000 0.233 126 D C -2.036 174.171 176.300 -0.154 0.000 1.306 126 D CA -2.677 51.271 54.000 -0.086 0.000 0.929 126 D CB 2.189 42.975 40.800 -0.024 0.000 1.512 126 D HN 0.047 8.378 8.370 -0.064 0.000 0.568 127 P HA -0.001 4.259 4.420 -0.266 0.000 0.265 127 P C -0.972 176.229 177.300 -0.165 0.000 1.193 127 P CA -0.331 62.574 63.100 -0.325 0.000 0.765 127 P CB 0.586 31.882 31.700 -0.673 0.000 0.823 128 V N 3.313 123.160 119.914 -0.112 0.000 2.530 128 V HA -0.009 4.084 4.120 -0.046 0.000 0.282 128 V C 0.238 176.308 176.094 -0.039 0.000 1.048 128 V CA -0.923 61.342 62.300 -0.058 0.000 0.997 128 V CB 0.465 32.260 31.823 -0.046 0.000 0.987 128 V HN 0.221 8.339 8.190 -0.120 0.000 0.477 129 A N 6.951 129.763 122.820 -0.013 0.000 2.565 129 A HA -0.338 4.122 4.320 0.014 -0.132 0.237 129 A C 0.796 178.378 177.584 -0.003 0.000 1.053 129 A CA 1.425 53.464 52.037 0.004 0.000 0.755 129 A CB -0.261 18.747 19.000 0.014 0.000 0.980 129 A HN 0.335 8.479 8.150 -0.009 0.000 0.506 130 G N 3.301 112.102 108.800 0.002 0.000 2.241 130 G HA2 -0.393 3.569 3.960 0.003 0.000 0.244 130 G HA3 -0.393 3.565 3.960 -0.003 0.000 0.244 130 G C -0.255 174.640 174.900 -0.009 0.000 0.998 130 G CA -0.244 44.855 45.100 -0.001 0.000 0.621 130 G HN 0.515 8.704 8.290 0.009 0.107 0.519 131 S N 1.170 116.859 115.700 -0.019 0.000 2.600 131 S HA -0.027 4.430 4.470 -0.022 0.000 0.265 131 S C -0.337 174.249 174.600 -0.022 0.000 1.325 131 S CA 0.307 58.491 58.200 -0.027 0.000 1.002 131 S CB 1.555 64.727 63.200 -0.046 0.000 0.921 131 S HN -0.343 7.870 8.310 -0.023 0.084 0.554 132 S N 0.500 116.187 115.700 -0.021 0.000 2.586 132 S HA 0.053 4.519 4.470 -0.007 0.000 0.274 132 S C -1.262 173.326 174.600 -0.019 0.000 1.281 132 S CA -0.256 57.936 58.200 -0.012 0.000 1.035 132 S CB 0.662 63.859 63.200 -0.005 0.000 0.962 132 S HN 0.248 8.544 8.310 -0.022 0.000 0.512 133 A N 3.518 126.332 122.820 -0.010 0.000 2.539 133 A HA 0.877 5.331 4.320 -0.007 -0.138 0.296 133 A C -2.113 175.474 177.584 0.005 0.000 1.073 133 A CA -1.153 50.876 52.037 -0.013 0.000 0.700 133 A CB 4.096 23.073 19.000 -0.039 0.000 1.296 133 A HN 0.629 8.776 8.150 -0.006 0.000 0.405 134 T N 2.672 117.245 114.554 0.032 0.000 2.848 134 T HA 0.736 5.300 4.350 0.040 -0.190 0.285 134 T C -1.700 173.010 174.700 0.016 0.000 0.995 134 T CA -0.493 61.645 62.100 0.063 0.000 0.970 134 T CB 2.657 71.621 68.868 0.159 0.000 0.976 134 T HN 0.311 8.576 8.240 0.042 0.000 0.441 135 V N 6.375 126.268 119.914 -0.035 0.000 2.769 135 V HA 0.945 5.169 4.120 -0.129 -0.181 0.312 135 V C -3.082 172.904 176.094 -0.181 0.000 1.061 135 V CA -3.573 58.669 62.300 -0.097 0.000 0.931 135 V CB 3.925 35.738 31.823 -0.017 0.000 1.010 135 V HN 0.516 8.699 8.190 -0.012 0.000 0.433 136 A N 5.006 127.634 122.820 -0.320 0.000 2.515 136 A HA 1.007 5.287 4.320 -0.321 -0.153 0.298 136 A C -2.271 175.096 177.584 -0.361 0.000 1.059 136 A CA -1.674 50.100 52.037 -0.439 0.000 0.698 136 A CB 3.551 22.014 19.000 -0.895 0.000 1.289 136 A HN -0.155 7.822 8.150 -0.288 0.000 0.404 137 G N -1.005 107.555 108.800 -0.401 0.000 2.342 137 G HA2 0.253 3.959 3.960 -0.423 0.000 0.297 137 G HA3 0.253 4.287 3.960 -0.123 -0.149 0.297 137 G C -1.818 172.861 174.900 -0.368 0.000 1.313 137 G CA 0.528 45.429 45.100 -0.332 0.000 0.830 137 G HN 0.029 8.071 8.290 -0.412 0.000 0.506 138 W N -0.036 121.257 121.300 -0.013 0.000 3.102 138 W HA 0.289 4.952 4.660 0.006 0.000 0.401 138 W C -0.094 176.428 176.519 0.004 0.000 1.070 138 W CA -0.762 56.585 57.345 0.004 0.000 1.921 138 W CB 0.742 30.212 29.460 0.016 0.000 1.118 138 W HN 0.537 8.927 8.180 0.351 0.000 0.647 139 G N -0.450 108.439 108.800 0.147 0.000 2.588 139 G HA2 0.118 4.156 3.960 0.103 0.000 0.278 139 G HA3 0.118 4.241 3.960 0.058 -0.127 0.278 139 G C -1.345 173.593 174.900 0.063 0.000 1.307 139 G CA -0.722 44.432 45.100 0.090 0.000 1.016 139 G HN -0.508 8.079 8.290 0.102 -0.236 0.503 140 A N -1.236 121.610 122.820 0.044 0.000 2.498 140 A HA -0.075 4.271 4.320 0.044 0.000 0.239 140 A C 0.000 177.599 177.584 0.024 0.000 1.068 140 A CA 0.700 52.758 52.037 0.036 0.000 0.766 140 A CB 0.795 19.811 19.000 0.027 0.000 1.003 140 A HN -0.237 7.936 8.150 0.038 0.000 0.497 141 T N -5.523 109.045 114.554 0.023 0.000 3.081 141 T HA 0.016 4.644 4.350 0.012 -0.271 0.250 141 T C 0.159 174.868 174.700 0.015 0.000 1.100 141 T CA 0.130 62.239 62.100 0.017 0.000 1.038 141 T CB 0.891 69.770 68.868 0.017 0.000 0.962 141 T HN 0.372 8.629 8.240 0.028 0.000 0.516 142 S N 0.278 115.987 115.700 0.016 0.000 2.540 142 S HA 0.091 4.569 4.470 0.013 0.000 0.275 142 S C -1.352 173.256 174.600 0.013 0.000 1.123 142 S CA -1.752 56.456 58.200 0.014 0.000 0.907 142 S CB 1.694 64.902 63.200 0.014 0.000 1.081 142 S HN -0.751 7.515 8.310 0.018 0.055 0.476 143 E N 6.817 127.023 120.200 0.010 0.000 2.892 143 E HA -0.384 3.969 4.350 0.005 0.000 0.273 143 E C 0.851 177.456 176.600 0.008 0.000 0.921 143 E CA 1.168 57.572 56.400 0.007 0.000 0.968 143 E CB -0.788 28.914 29.700 0.004 0.000 0.941 143 E HN 0.569 8.935 8.360 0.010 0.000 0.492 144 G N 2.198 111.003 108.800 0.008 0.000 2.219 144 G HA2 -0.443 3.524 3.960 0.012 0.000 0.271 144 G HA3 -0.443 3.523 3.960 0.010 0.000 0.271 144 G C 0.061 174.971 174.900 0.016 0.000 0.991 144 G CA 0.528 45.635 45.100 0.011 0.000 0.685 144 G HN 0.655 8.949 8.290 0.006 0.000 0.531 145 G N -1.342 107.469 108.800 0.017 0.000 2.491 145 G HA2 0.023 3.994 3.960 0.020 0.000 0.242 145 G HA3 0.023 3.996 3.960 0.022 0.000 0.242 145 G C -0.871 174.046 174.900 0.027 0.000 1.266 145 G CA -0.529 44.583 45.100 0.021 0.000 0.844 145 G HN -0.471 7.697 8.290 0.016 0.131 0.571 146 S N 1.309 117.026 115.700 0.028 0.000 2.475 146 S HA 0.088 4.579 4.470 0.036 0.000 0.224 146 S C -0.037 174.586 174.600 0.038 0.000 1.042 146 S CA 1.074 59.294 58.200 0.033 0.000 0.935 146 S CB 0.711 63.928 63.200 0.028 0.000 0.801 146 S HN 0.261 8.587 8.310 0.026 0.000 0.509 147 S N 2.098 117.819 115.700 0.036 0.000 2.586 147 S HA 0.232 4.728 4.470 0.043 0.000 0.274 147 S C -1.241 173.390 174.600 0.051 0.000 1.281 147 S CA 0.331 58.556 58.200 0.041 0.000 1.035 147 S CB 0.891 64.113 63.200 0.036 0.000 0.962 147 S HN -0.325 8.005 8.310 0.032 0.000 0.512 148 T N -0.445 114.148 114.554 0.064 0.000 2.896 148 T HA 0.348 4.743 4.350 0.074 0.000 0.297 148 T C -2.401 172.358 174.700 0.099 0.000 1.108 148 T CA -3.779 58.372 62.100 0.085 0.000 1.004 148 T CB 1.679 70.611 68.868 0.106 0.000 1.159 148 T HN -0.034 8.243 8.240 0.062 0.000 0.499 149 P HA 0.169 4.642 4.420 0.089 0.000 0.278 149 P C -0.514 176.899 177.300 0.188 0.000 1.238 149 P CA -0.567 62.603 63.100 0.116 0.000 0.794 149 P CB 0.744 32.492 31.700 0.079 0.000 0.955 150 V N 0.452 120.457 119.914 0.153 0.000 2.307 150 V HA -0.243 3.984 4.120 0.179 0.000 0.245 150 V C 0.166 176.437 176.094 0.296 0.000 1.045 150 V CA 1.611 64.020 62.300 0.181 0.000 1.024 150 V CB 0.151 32.040 31.823 0.111 0.000 0.651 150 V HN 0.155 8.413 8.190 0.114 0.000 0.449 151 N N -3.322 115.505 118.700 0.211 0.000 2.466 151 N HA 0.224 5.388 4.740 0.345 -0.217 0.294 151 N C -0.275 175.237 175.510 0.003 0.000 1.129 151 N CA -1.308 51.861 53.050 0.198 0.000 0.931 151 N CB 1.214 39.766 38.487 0.108 0.000 1.193 151 N HN -0.680 7.787 8.380 0.146 0.000 0.500 152 L N 2.758 123.861 121.223 -0.199 0.000 2.540 152 L HA -0.189 3.394 4.340 -1.261 0.000 0.276 152 L C -1.371 175.292 176.870 -0.345 0.000 1.212 152 L CA 1.118 55.535 54.840 -0.704 0.000 0.893 152 L CB 0.524 42.168 42.059 -0.693 0.000 1.138 152 L HN -0.057 8.174 8.230 0.001 0.000 0.491 153 L N 5.296 126.310 121.223 -0.349 0.000 2.322 153 L HA 0.739 5.165 4.340 -0.121 -0.158 0.269 153 L C -1.280 175.487 176.870 -0.172 0.000 1.012 153 L CA -1.456 53.277 54.840 -0.178 0.000 0.815 153 L CB 2.640 44.630 42.059 -0.116 0.000 1.295 153 L HN -0.009 7.941 8.230 -0.467 0.000 0.438 154 K N -2.131 118.228 120.400 -0.068 0.000 2.512 154 K HA 1.021 5.472 4.320 -0.088 -0.183 0.263 154 K C -2.294 174.306 176.600 -0.001 0.000 0.966 154 K CA -1.681 54.590 56.287 -0.027 0.000 0.851 154 K CB 4.472 37.046 32.500 0.123 0.000 1.395 154 K HN 0.681 8.905 8.250 -0.045 0.000 0.440 155 V N 0.338 120.257 119.914 0.008 0.000 3.012 155 V HA 0.359 4.491 4.120 0.019 0.000 0.307 155 V C -2.555 173.555 176.094 0.027 0.000 1.166 155 V CA -1.969 60.342 62.300 0.017 0.000 0.974 155 V CB 4.090 35.920 31.823 0.011 0.000 1.040 155 V HN 0.479 8.668 8.190 -0.001 0.000 0.428 156 T N 9.151 123.721 114.554 0.027 0.000 2.771 156 T HA 0.810 5.370 4.350 0.026 -0.193 0.281 156 T C -1.167 173.545 174.700 0.020 0.000 0.982 156 T CA -0.443 61.672 62.100 0.025 0.000 0.978 156 T CB 1.077 69.960 68.868 0.025 0.000 0.930 156 T HN 0.247 8.501 8.240 0.024 0.000 0.447 157 V N 0.609 120.534 119.914 0.017 0.000 3.007 157 V HA 0.640 4.774 4.120 0.023 0.000 0.311 157 V C -3.137 172.968 176.094 0.019 0.000 1.120 157 V CA -4.490 57.824 62.300 0.023 0.000 0.980 157 V CB 2.115 33.961 31.823 0.039 0.000 1.033 157 V HN 0.741 8.938 8.190 0.012 0.000 0.429 158 P HA 0.463 5.078 4.420 0.011 -0.188 0.277 158 P C -0.384 176.940 177.300 0.041 0.000 1.240 158 P CA -1.652 61.461 63.100 0.021 0.000 0.798 158 P CB 0.913 32.623 31.700 0.017 0.000 0.979 159 I N 1.298 121.889 120.570 0.035 0.000 2.710 159 I HA -0.088 4.299 4.170 0.127 -0.141 0.286 159 I C 0.315 176.474 176.117 0.070 0.000 1.181 159 I CA -0.351 60.993 61.300 0.073 0.000 1.430 159 I CB -1.002 37.010 38.000 0.020 0.000 1.367 159 I HN 0.159 8.377 8.210 0.014 0.000 0.577 160 V N 8.207 128.182 119.914 0.102 0.000 2.435 160 V HA 0.266 4.418 4.120 0.053 0.000 0.290 160 V C -0.778 175.366 176.094 0.085 0.000 1.030 160 V CA -1.657 60.688 62.300 0.076 0.000 0.881 160 V CB 1.396 33.263 31.823 0.074 0.000 0.983 160 V HN 0.020 8.185 8.190 0.144 0.111 0.445 161 S N 5.513 121.247 115.700 0.057 0.000 2.563 161 S HA -0.111 4.394 4.470 0.059 0.000 0.284 161 S C 1.061 175.705 174.600 0.073 0.000 1.331 161 S CA -0.075 58.159 58.200 0.057 0.000 1.047 161 S CB 1.211 64.433 63.200 0.036 0.000 0.859 161 S HN 0.262 8.598 8.310 0.043 0.000 0.514 162 R N 4.148 124.696 120.500 0.080 0.000 2.105 162 R HA -0.423 3.976 4.340 0.099 0.000 0.239 162 R C 1.522 177.865 176.300 0.072 0.000 1.135 162 R CA 4.229 60.381 56.100 0.087 0.000 0.967 162 R CB -0.228 30.125 30.300 0.088 0.000 0.861 162 R HN 0.686 9.001 8.270 0.075 0.000 0.442 163 A N -2.577 120.276 122.820 0.054 0.000 1.877 163 A HA -0.193 4.156 4.320 0.047 0.000 0.216 163 A C 2.169 179.777 177.584 0.039 0.000 1.186 163 A CA 3.047 55.110 52.037 0.044 0.000 0.620 163 A CB -0.910 18.108 19.000 0.030 0.000 0.822 163 A HN 0.173 8.342 8.150 0.050 0.011 0.443 164 T N 0.964 115.538 114.554 0.032 0.000 2.788 164 T HA -0.437 3.914 4.350 0.002 0.000 0.268 164 T C 1.594 176.311 174.700 0.028 0.000 1.044 164 T CA 4.934 67.043 62.100 0.015 0.000 1.139 164 T CB -0.071 68.800 68.868 0.006 0.000 0.867 164 T HN -0.518 7.743 8.240 0.034 0.000 0.454 165 c N 2.105 120.747 118.600 0.071 0.000 2.425 165 c HA -0.282 4.374 4.570 0.143 0.000 0.277 165 c C 2.014 176.216 174.090 0.187 0.000 1.280 165 c CA 2.539 58.951 56.329 0.138 0.000 1.744 165 c CB -1.772 40.814 42.510 0.127 0.000 1.989 165 c HN -0.018 8.254 8.230 0.070 0.000 0.491 166 R N -0.834 119.744 120.500 0.131 0.000 2.115 166 R HA -0.233 4.355 4.340 0.183 -0.138 0.230 166 R C 2.603 178.958 176.300 0.091 0.000 1.111 166 R CA 3.041 59.220 56.100 0.132 0.000 0.976 166 R CB -0.231 30.127 30.300 0.095 0.000 0.870 166 R HN 0.023 8.355 8.270 0.104 0.000 0.445 167 A N -1.193 121.652 122.820 0.042 0.000 1.933 167 A HA -0.233 4.091 4.320 0.007 0.000 0.218 167 A C 1.503 179.055 177.584 -0.052 0.000 1.175 167 A CA 2.511 54.546 52.037 -0.005 0.000 0.628 167 A CB -0.591 18.392 19.000 -0.029 0.000 0.814 167 A HN -0.436 7.655 8.150 0.040 0.083 0.444 168 Q N -2.788 116.952 119.800 -0.099 0.000 2.083 168 Q HA -0.237 3.868 4.340 -0.393 0.000 0.198 168 Q C 1.597 177.444 176.000 -0.254 0.000 0.969 168 Q CA 2.578 58.186 55.803 -0.325 0.000 0.838 168 Q CB 0.584 29.016 28.738 -0.510 0.000 0.900 168 Q HN -0.507 7.624 8.270 -0.045 0.112 0.436 169 Y N -4.911 115.450 120.300 0.103 0.000 2.430 169 Y HA 0.048 4.747 4.550 0.248 0.000 0.248 169 Y C -0.362 175.630 175.900 0.154 0.000 1.108 169 Y CA 0.489 58.705 58.100 0.192 0.000 1.264 169 Y CB 1.487 40.093 38.460 0.244 0.000 1.172 169 Y HN -0.545 7.859 8.280 0.207 0.000 0.520 170 G N -0.934 108.005 108.800 0.230 0.000 2.617 170 G HA2 -0.224 3.804 3.960 0.113 0.000 0.686 170 G HA3 -0.224 3.829 3.960 0.155 0.000 0.686 170 G C -0.652 174.335 174.900 0.146 0.000 1.214 170 G CA -0.684 44.510 45.100 0.156 0.000 0.796 170 G HN -0.599 7.716 8.290 0.195 0.092 0.654 171 T N 1.063 115.674 114.554 0.095 0.000 2.674 171 T HA -0.344 4.057 4.350 0.085 0.000 0.265 171 T C 1.681 176.429 174.700 0.079 0.000 1.039 171 T CA 3.855 66.002 62.100 0.080 0.000 1.150 171 T CB 0.019 68.920 68.868 0.054 0.000 0.864 171 T HN 0.215 8.503 8.240 0.080 0.000 0.427 172 S N 0.618 116.356 115.700 0.064 0.000 2.423 172 S HA -0.174 4.319 4.470 0.039 0.000 0.231 172 S C 1.177 175.810 174.600 0.055 0.000 1.014 172 S CA 2.688 60.916 58.200 0.045 0.000 0.965 172 S CB -0.387 62.826 63.200 0.022 0.000 0.785 172 S HN 0.081 8.428 8.310 0.061 0.000 0.495 173 A N -1.210 121.668 122.820 0.097 0.000 2.014 173 A HA -0.041 4.298 4.320 0.033 0.000 0.218 173 A C -0.368 177.337 177.584 0.202 0.000 1.163 173 A CA 1.022 53.134 52.037 0.124 0.000 0.652 173 A CB 0.165 19.307 19.000 0.235 0.000 0.808 173 A HN 0.134 8.308 8.150 0.115 0.045 0.449 174 I N -1.409 119.270 120.570 0.181 0.000 2.354 174 I HA 0.322 4.613 4.170 0.203 0.000 0.286 174 I C -0.789 175.395 176.117 0.112 0.000 1.007 174 I CA -2.849 58.549 61.300 0.163 0.000 1.167 174 I CB -0.668 37.413 38.000 0.134 0.000 1.320 174 I HN -0.829 7.446 8.210 0.159 0.031 0.458 175 T N 4.677 119.291 114.554 0.101 0.000 2.910 175 T HA 0.405 4.793 4.350 0.063 0.000 0.279 175 T C 1.002 175.748 174.700 0.076 0.000 0.989 175 T CA -2.246 59.897 62.100 0.071 0.000 0.968 175 T CB 1.975 70.871 68.868 0.046 0.000 1.135 175 T HN -0.425 7.887 8.240 0.119 0.000 0.562 176 N N -2.262 116.476 118.700 0.062 0.000 2.573 176 N HA -0.176 4.610 4.740 0.077 0.000 0.187 176 N C -0.014 175.543 175.510 0.078 0.000 1.107 176 N CA 1.633 54.724 53.050 0.068 0.000 0.918 176 N CB -0.697 37.822 38.487 0.053 0.000 0.966 176 N HN 0.452 8.863 8.380 0.051 0.000 0.448 177 Q N -3.792 116.049 119.800 0.068 0.000 2.220 177 Q HA 0.202 4.594 4.340 0.086 0.000 0.205 177 Q C -1.237 174.824 176.000 0.102 0.000 0.865 177 Q CA -0.612 55.232 55.803 0.068 0.000 0.960 177 Q CB 0.126 28.863 28.738 -0.002 0.000 1.097 177 Q HN -0.693 7.546 8.270 0.057 0.066 0.493 178 M N -0.877 118.795 119.600 0.120 0.000 2.591 178 M HA 0.876 5.602 4.480 0.066 -0.206 0.306 178 M C -1.693 174.713 176.300 0.175 0.000 1.190 178 M CA -0.828 54.530 55.300 0.097 0.000 0.889 178 M CB 4.871 37.517 32.600 0.077 0.000 1.728 178 M HN -0.600 7.684 8.290 0.117 0.076 0.458 179 F N -2.338 117.658 119.950 0.078 0.000 2.650 179 F HA 0.605 5.162 4.527 0.050 0.000 0.320 179 F C -3.052 172.810 175.800 0.104 0.000 1.091 179 F CA -1.830 56.212 58.000 0.069 0.000 0.962 179 F CB 2.537 41.570 39.000 0.054 0.000 1.363 179 F HN 0.305 8.473 8.300 -0.221 0.000 0.482 180 c N -1.685 117.056 118.600 0.234 0.000 2.667 180 c HA 1.056 5.830 4.570 0.037 -0.182 0.323 180 c C -1.157 173.093 174.090 0.266 0.000 1.214 180 c CA -1.716 54.695 56.329 0.136 0.000 1.721 180 c CB 3.644 46.198 42.510 0.075 0.000 2.275 180 c HN 0.531 8.995 8.230 0.389 0.000 0.491 181 A N 0.307 123.268 122.820 0.235 0.000 2.566 181 A HA 0.882 5.424 4.320 0.152 -0.130 0.297 181 A C -2.277 175.401 177.584 0.156 0.000 1.059 181 A CA -0.954 51.194 52.037 0.184 0.000 0.691 181 A CB 3.239 22.310 19.000 0.119 0.000 1.282 181 A HN 0.542 8.832 8.150 0.232 0.000 0.401 182 G N 0.038 108.896 108.800 0.097 0.000 2.341 182 G HA2 0.115 4.120 3.960 0.076 0.000 0.293 182 G HA3 0.115 4.122 3.960 0.078 0.000 0.293 182 G C -2.256 172.672 174.900 0.046 0.000 1.298 182 G CA 0.630 45.775 45.100 0.075 0.000 0.868 182 G HN 0.011 8.351 8.290 0.083 0.000 0.540 183 V N -4.684 115.250 119.914 0.034 0.000 2.715 183 V HA 0.433 4.563 4.120 0.017 0.000 0.310 183 V C 0.636 176.735 176.094 0.008 0.000 1.054 183 V CA -3.087 59.224 62.300 0.019 0.000 0.928 183 V CB 2.363 34.196 31.823 0.017 0.000 1.007 183 V HN 0.231 8.444 8.190 0.039 0.000 0.437 184 S N 3.309 119.007 115.700 -0.005 0.000 2.383 184 S HA -0.214 4.236 4.470 -0.034 0.000 0.229 184 S C 1.081 175.673 174.600 -0.013 0.000 1.030 184 S CA 3.002 61.189 58.200 -0.021 0.000 1.002 184 S CB -0.049 63.135 63.200 -0.027 0.000 0.829 184 S HN 0.473 8.782 8.310 -0.003 0.000 0.467 185 S N -2.292 113.407 115.700 -0.002 0.000 2.555 185 S HA -0.060 4.411 4.470 0.001 0.000 0.230 185 S C 0.794 175.402 174.600 0.014 0.000 0.978 185 S CA 0.347 58.549 58.200 0.004 0.000 0.934 185 S CB -0.160 63.043 63.200 0.005 0.000 0.766 185 S HN -0.339 7.952 8.310 -0.001 0.018 0.533 186 G N 1.188 110.000 108.800 0.020 0.000 2.752 186 G HA2 -0.271 3.711 3.960 0.037 0.000 0.234 186 G HA3 -0.271 3.814 3.960 0.036 -0.103 0.234 186 G C 0.164 175.079 174.900 0.026 0.000 1.367 186 G CA 0.144 45.262 45.100 0.031 0.000 0.879 186 G HN -0.552 7.561 8.290 0.016 0.186 0.563 187 G N -1.510 107.307 108.800 0.028 0.000 2.194 187 G HA2 -0.322 3.651 3.960 0.021 0.000 0.236 187 G HA3 -0.322 3.650 3.960 0.019 0.000 0.236 187 G C -1.851 173.062 174.900 0.022 0.000 0.987 187 G CA 0.314 45.427 45.100 0.022 0.000 0.635 187 G HN 0.103 8.298 8.290 0.032 0.114 0.520 188 K N -0.156 120.261 120.400 0.028 0.000 2.578 188 K HA 0.686 5.250 4.320 0.025 -0.229 0.250 188 K C -2.355 174.270 176.600 0.042 0.000 0.955 188 K CA -1.201 55.104 56.287 0.029 0.000 0.825 188 K CB 3.154 35.670 32.500 0.028 0.000 1.151 188 K HN -0.487 7.716 8.250 0.031 0.066 0.432 189 D N 2.349 122.774 120.400 0.041 0.000 2.755 189 D HA 0.287 4.978 4.640 0.084 0.000 0.277 189 D C -1.819 174.510 176.300 0.048 0.000 1.261 189 D CA -0.502 53.533 54.000 0.057 0.000 0.759 189 D CB 4.173 44.999 40.800 0.043 0.000 1.279 189 D HN -0.026 8.363 8.370 0.032 0.000 0.420 190 S N -1.055 114.683 115.700 0.063 0.000 2.632 190 S HA 0.380 4.964 4.470 0.025 -0.099 0.267 190 S C -0.655 173.942 174.600 -0.006 0.000 1.276 190 S CA -0.542 57.677 58.200 0.032 0.000 0.998 190 S CB 0.999 64.238 63.200 0.065 0.000 0.953 190 S HN 0.201 8.569 8.310 0.097 0.000 0.547 191 c N -2.078 116.517 118.600 -0.009 0.000 3.299 191 c HA 0.312 4.869 4.570 -0.022 0.000 0.366 191 c C -0.736 173.344 174.090 -0.016 0.000 3.078 191 c CA -0.617 55.704 56.329 -0.014 0.000 1.335 191 c CB 2.979 45.488 42.510 -0.002 0.000 3.510 191 c HN 0.415 8.963 8.230 -0.003 -0.319 0.476 192 Q N 1.416 121.207 119.800 -0.016 0.000 2.311 192 Q HA -0.065 4.249 4.340 -0.044 0.000 0.272 192 Q C 1.404 177.388 176.000 -0.027 0.000 1.012 192 Q CA 1.210 56.993 55.803 -0.032 0.000 0.891 192 Q CB -0.012 28.707 28.738 -0.031 0.000 1.201 192 Q HN 0.649 8.912 8.270 -0.012 0.000 0.391 193 G N 4.873 113.633 108.800 -0.067 0.000 2.213 193 G HA2 -0.413 3.678 3.960 -0.112 0.000 0.236 193 G HA3 -0.413 3.554 3.960 0.011 0.000 0.236 193 G C 0.639 175.548 174.900 0.014 0.000 0.991 193 G CA 0.925 46.000 45.100 -0.042 0.000 0.629 193 G HN 0.690 8.916 8.290 -0.106 0.000 0.517 194 D N 1.327 121.733 120.400 0.011 0.000 2.348 194 D HA 0.020 4.699 4.640 0.065 0.000 0.211 194 D C 0.227 176.537 176.300 0.015 0.000 0.998 194 D CA 1.111 55.129 54.000 0.029 0.000 0.873 194 D CB 0.102 40.910 40.800 0.013 0.000 0.925 194 D HN -0.016 8.161 8.370 -0.003 0.191 0.524 195 S N -1.116 114.572 115.700 -0.020 0.000 2.558 195 S HA -0.432 4.162 4.470 0.016 -0.115 0.291 195 S C 0.937 175.499 174.600 -0.065 0.000 1.306 195 S CA 3.234 61.419 58.200 -0.025 0.000 1.056 195 S CB -0.055 63.140 63.200 -0.009 0.000 0.836 195 S HN -0.556 7.683 8.310 -0.036 0.050 0.504 196 G N 4.325 113.098 108.800 -0.045 0.000 2.304 196 G HA2 -0.460 3.548 3.960 -0.030 0.000 0.252 196 G HA3 -0.460 3.566 3.960 -0.057 -0.101 0.252 196 G C -0.024 174.907 174.900 0.052 0.000 1.014 196 G CA 0.442 45.527 45.100 -0.025 0.000 0.619 196 G HN 0.619 8.790 8.290 -0.019 0.107 0.525 197 G N 0.989 109.831 108.800 0.070 0.000 2.616 197 G HA2 0.308 4.408 3.960 0.117 0.000 0.268 197 G HA3 0.308 4.310 3.960 0.070 0.000 0.268 197 G C -2.648 172.306 174.900 0.090 0.000 1.213 197 G CA -1.911 43.242 45.100 0.088 0.000 0.926 197 G HN -0.487 7.738 8.290 0.054 0.098 0.523 198 P HA 0.284 4.942 4.420 0.155 -0.145 0.284 198 P C -1.936 175.380 177.300 0.026 0.000 1.253 198 P CA -1.004 62.163 63.100 0.112 0.000 0.800 198 P CB 1.637 33.495 31.700 0.264 0.000 0.961 199 I N 2.219 122.832 120.570 0.071 0.000 2.433 199 I HA 0.763 5.106 4.170 -0.033 -0.192 0.292 199 I C -1.906 174.259 176.117 0.080 0.000 1.001 199 I CA -2.606 58.694 61.300 -0.000 0.000 1.119 199 I CB 3.425 41.298 38.000 -0.212 0.000 1.289 199 I HN -0.190 8.090 8.210 0.117 0.000 0.438 200 V N 4.606 124.579 119.914 0.100 0.000 2.919 200 V HA 1.000 5.334 4.120 0.109 -0.149 0.316 200 V C -0.782 175.349 176.094 0.062 0.000 1.077 200 V CA -3.822 58.557 62.300 0.133 0.000 0.977 200 V CB 3.029 35.021 31.823 0.282 0.000 1.039 200 V HN 0.832 9.071 8.190 0.082 0.000 0.441 201 D N 0.569 120.985 120.400 0.028 0.000 2.447 201 D HA 0.318 5.077 4.640 -0.025 -0.134 0.265 201 D C 1.634 177.949 176.300 0.024 0.000 1.250 201 D CA -0.932 53.064 54.000 -0.007 0.000 1.046 201 D CB 0.888 41.663 40.800 -0.043 0.000 1.095 201 D HN -0.089 8.298 8.370 0.029 0.000 0.555 202 S N -1.319 114.384 115.700 0.004 0.000 2.474 202 S HA -0.169 4.311 4.470 0.017 0.000 0.235 202 S C 1.011 175.617 174.600 0.010 0.000 0.997 202 S CA 2.438 60.643 58.200 0.008 0.000 0.949 202 S CB -0.431 62.766 63.200 -0.004 0.000 0.766 202 S HN 0.316 8.619 8.310 -0.012 0.000 0.517 203 S N 0.926 116.633 115.700 0.012 0.000 2.575 203 S HA 0.046 4.521 4.470 0.007 0.000 0.215 203 S C -0.441 174.182 174.600 0.038 0.000 0.966 203 S CA 0.290 58.499 58.200 0.014 0.000 0.911 203 S CB 0.476 63.680 63.200 0.006 0.000 0.780 203 S HN -0.579 7.896 8.310 0.008 -0.160 0.514 204 N N -3.197 115.544 118.700 0.070 0.000 2.850 204 N HA -0.324 4.533 4.740 0.195 0.000 0.249 204 N C -1.256 174.344 175.510 0.149 0.000 1.060 204 N CA 1.944 55.080 53.050 0.144 0.000 0.825 204 N CB -1.854 36.707 38.487 0.124 0.000 1.132 204 N HN -0.121 8.156 8.380 0.065 0.141 0.564 205 T N 0.678 115.273 114.554 0.068 0.000 2.884 205 T HA -0.144 4.204 4.350 -0.004 0.000 0.298 205 T C -1.027 173.679 174.700 0.009 0.000 0.998 205 T CA 1.518 63.626 62.100 0.015 0.000 1.124 205 T CB 1.034 69.896 68.868 -0.009 0.000 0.931 205 T HN -0.553 7.900 8.240 0.052 -0.182 0.531 206 L N 7.209 128.392 121.223 -0.067 0.000 2.385 206 L HA -0.007 4.346 4.340 0.022 0.000 0.281 206 L C -0.834 176.033 176.870 -0.006 0.000 1.106 206 L CA 0.217 55.025 54.840 -0.054 0.000 0.856 206 L CB 0.324 42.258 42.059 -0.208 0.000 1.186 206 L HN 0.301 8.456 8.230 -0.125 0.000 0.453 207 I N -0.614 119.979 120.570 0.039 0.000 3.854 207 I HA 0.394 4.566 4.170 0.004 0.000 0.312 207 I C -0.583 175.674 176.117 0.232 0.000 1.273 207 I CA -0.524 60.796 61.300 0.033 0.000 1.298 207 I CB 0.890 38.809 38.000 -0.135 0.000 1.071 207 I HN 0.140 8.386 8.210 0.060 0.000 0.428 208 G N -1.951 107.010 108.800 0.269 0.000 2.550 208 G HA2 0.284 4.559 3.960 0.323 0.000 0.293 208 G HA3 0.284 4.526 3.960 0.470 0.000 0.293 208 G C -3.267 171.766 174.900 0.221 0.000 1.402 208 G CA 0.306 45.610 45.100 0.339 0.000 0.784 208 G HN -0.653 7.751 8.290 0.191 0.000 0.482 209 A N -1.712 121.233 122.820 0.209 0.000 2.365 209 A HA 0.992 5.622 4.320 0.174 -0.205 0.318 209 A C -0.975 176.732 177.584 0.204 0.000 1.091 209 A CA -2.721 49.421 52.037 0.175 0.000 0.763 209 A CB 3.531 22.597 19.000 0.111 0.000 1.248 209 A HN -0.038 8.233 8.150 0.202 0.000 0.442 210 V N 0.907 120.936 119.914 0.192 0.000 2.557 210 V HA -0.272 3.798 4.120 -0.084 0.000 0.301 210 V C -0.402 175.674 176.094 -0.029 0.000 1.026 210 V CA 2.097 64.419 62.300 0.037 0.000 1.137 210 V CB -1.198 30.657 31.823 0.052 0.000 0.917 210 V HN 0.057 8.355 8.190 0.180 0.000 0.484 211 S N 8.168 123.763 115.700 -0.175 0.000 3.526 211 S HA 0.290 4.909 4.470 0.249 0.000 0.222 211 S C -1.491 173.192 174.600 0.139 0.000 1.001 211 S CA 0.536 58.787 58.200 0.086 0.000 0.831 211 S CB 2.615 65.884 63.200 0.115 0.000 0.941 211 S HN -0.010 8.021 8.310 -0.465 0.000 0.585 212 W N -3.331 117.793 121.300 -0.293 0.000 2.937 212 W HA 0.246 4.763 4.660 -0.240 0.000 0.360 212 W C -3.004 173.341 176.519 -0.291 0.000 1.215 212 W CA -0.806 56.376 57.345 -0.273 0.000 1.183 212 W CB 1.875 31.175 29.460 -0.268 0.000 1.458 212 W HN -0.036 7.876 8.180 -0.447 0.000 0.574 213 G N -2.920 105.846 108.800 -0.057 0.000 2.349 213 G HA2 -0.081 3.548 3.960 -0.551 0.000 0.294 213 G HA3 -0.081 3.761 3.960 -0.196 0.000 0.294 213 G C -2.682 172.320 174.900 0.169 0.000 1.380 213 G CA 0.385 45.382 45.100 -0.171 0.000 0.811 213 G HN -0.064 8.347 8.290 0.201 0.000 0.519 214 N N 2.465 121.322 118.700 0.261 0.000 2.439 214 N HA -0.024 4.775 4.740 0.098 0.000 0.243 214 N C 0.381 175.870 175.510 -0.034 0.000 1.088 214 N CA -0.469 52.626 53.050 0.075 0.000 0.940 214 N CB -0.438 37.916 38.487 -0.222 0.000 1.180 214 N HN -0.193 8.426 8.380 0.398 0.000 0.505 215 G N 3.448 112.237 108.800 -0.019 0.000 2.641 215 G HA2 -0.387 3.563 3.960 -0.017 0.000 0.254 215 G HA3 -0.387 3.671 3.960 -0.039 -0.121 0.254 215 G C -1.615 173.283 174.900 -0.002 0.000 1.315 215 G CA -0.261 44.826 45.100 -0.021 0.000 0.907 215 G HN -0.239 8.051 8.290 -0.001 0.000 0.572 216 c N 3.457 122.058 118.600 0.001 0.000 2.346 216 c HA 0.105 4.677 4.570 0.003 0.000 0.326 216 c C -0.459 173.643 174.090 0.021 0.000 1.224 216 c CA -0.882 55.451 56.329 0.007 0.000 1.408 216 c CB -0.729 41.783 42.510 0.002 0.000 2.089 216 c HN -0.203 8.267 8.230 -0.002 -0.241 0.456 217 A N 6.766 129.606 122.820 0.034 0.000 2.905 217 A HA -0.408 3.940 4.320 0.046 0.000 0.260 217 A C -1.312 176.302 177.584 0.050 0.000 1.398 217 A CA 1.026 53.087 52.037 0.040 0.000 0.840 217 A CB -0.973 18.044 19.000 0.029 0.000 1.059 217 A HN 0.793 9.305 8.150 0.034 -0.341 0.647 218 R N -2.136 118.406 120.500 0.071 0.000 2.539 218 R HA 0.114 4.495 4.340 0.068 0.000 0.275 218 R C -2.095 174.274 176.300 0.115 0.000 1.077 218 R CA -2.422 53.735 56.100 0.095 0.000 1.097 218 R CB 0.166 30.536 30.300 0.117 0.000 1.018 218 R HN -0.118 8.112 8.270 0.073 0.083 0.483 219 P HA -0.256 4.394 4.420 0.027 -0.214 0.265 219 P C -0.613 176.700 177.300 0.023 0.000 1.193 219 P CA 0.803 63.932 63.100 0.047 0.000 0.765 219 P CB 0.161 31.880 31.700 0.031 0.000 0.823 220 N N -3.680 114.974 118.700 -0.077 0.000 2.714 220 N HA -0.456 4.159 4.740 -0.209 0.000 0.250 220 N C -1.768 173.392 175.510 -0.583 0.000 1.117 220 N CA 1.874 54.763 53.050 -0.269 0.000 0.719 220 N CB -1.224 37.078 38.487 -0.308 0.000 1.081 220 N HN 0.266 8.618 8.380 -0.047 0.000 0.557 221 Y N -1.971 118.270 120.300 -0.098 0.000 2.445 221 Y HA -0.024 4.352 4.550 -0.289 0.000 0.332 221 Y C -1.243 174.667 175.900 0.016 0.000 1.037 221 Y CA -1.092 56.922 58.100 -0.144 0.000 1.296 221 Y CB 0.775 39.142 38.460 -0.154 0.000 1.099 221 Y HN -0.887 7.352 8.280 0.017 0.050 0.496 222 S N 3.470 119.273 115.700 0.173 0.000 2.576 222 S HA -0.137 4.392 4.470 0.098 0.000 0.272 222 S C 0.381 175.025 174.600 0.073 0.000 1.352 222 S CA 1.304 59.585 58.200 0.135 0.000 1.021 222 S CB 0.636 63.908 63.200 0.121 0.000 0.887 222 S HN -0.192 8.510 8.310 0.130 -0.313 0.542 223 G N 0.171 108.969 108.800 -0.003 0.000 2.442 223 G HA2 0.125 3.886 3.960 -0.331 0.000 0.249 223 G HA3 0.125 4.069 3.960 -0.197 -0.102 0.249 223 G C -1.829 172.783 174.900 -0.479 0.000 1.263 223 G CA -0.155 44.795 45.100 -0.251 0.000 0.846 223 G HN -0.102 8.230 8.290 0.069 0.000 0.555 224 V N 2.807 122.139 119.914 -0.970 0.000 2.459 224 V HA 0.522 4.368 4.120 -0.695 -0.144 0.295 224 V C -1.053 174.374 176.094 -1.113 0.000 1.029 224 V CA -2.172 59.504 62.300 -1.040 0.000 0.874 224 V CB 1.766 32.576 31.823 -1.688 0.000 0.985 224 V HN 0.199 7.778 8.190 -1.017 0.000 0.438 225 Y N 4.526 124.445 120.300 -0.635 0.000 2.462 225 Y HA 0.372 4.820 4.550 -0.364 -0.117 0.346 225 Y C -1.270 174.392 175.900 -0.398 0.000 0.976 225 Y CA -2.076 55.671 58.100 -0.588 0.000 1.044 225 Y CB 4.164 41.978 38.460 -1.077 0.000 1.230 225 Y HN 0.682 8.615 8.280 -0.579 0.000 0.455 226 A N 2.670 125.478 122.820 -0.019 0.000 2.454 226 A HA 0.238 4.728 4.320 0.066 -0.131 0.260 226 A C -1.069 176.612 177.584 0.162 0.000 1.106 226 A CA -0.730 51.349 52.037 0.071 0.000 0.780 226 A CB 0.472 19.525 19.000 0.089 0.000 1.044 226 A HN 0.415 8.568 8.150 0.005 0.000 0.498 227 S N 4.103 119.938 115.700 0.224 0.000 2.439 227 S HA 0.224 5.160 4.470 0.573 -0.122 0.282 227 S C 1.023 175.762 174.600 0.231 0.000 1.170 227 S CA -2.116 56.304 58.200 0.367 0.000 1.054 227 S CB 0.591 64.013 63.200 0.370 0.000 0.956 227 S HN -0.156 8.257 8.310 0.172 0.000 0.490 228 V N 7.664 127.709 119.914 0.218 0.000 2.343 228 V HA -0.453 3.759 4.120 0.153 0.000 0.247 228 V C 1.706 177.864 176.094 0.107 0.000 1.051 228 V CA 3.892 66.278 62.300 0.144 0.000 1.036 228 V CB -0.060 31.824 31.823 0.103 0.000 0.654 228 V HN 0.258 8.612 8.190 0.273 0.000 0.451 229 G N -1.746 107.101 108.800 0.078 0.000 2.450 229 G HA2 -0.321 3.777 3.960 0.036 0.000 0.220 229 G HA3 -0.321 3.798 3.960 0.022 -0.145 0.220 229 G C -0.215 174.727 174.900 0.070 0.000 1.130 229 G CA 2.039 47.167 45.100 0.047 0.000 0.760 229 G HN 0.245 8.581 8.290 0.077 0.000 0.557 230 A N -0.999 121.879 122.820 0.097 0.000 2.123 230 A HA 0.023 4.392 4.320 0.082 0.000 0.214 230 A C 0.094 177.749 177.584 0.118 0.000 1.152 230 A CA 1.194 53.289 52.037 0.097 0.000 0.728 230 A CB 0.264 19.324 19.000 0.100 0.000 0.814 230 A HN -0.664 7.532 8.150 0.115 0.023 0.464 231 L N -4.016 117.297 121.223 0.149 0.000 3.066 231 L HA 0.310 4.799 4.340 0.248 0.000 0.265 231 L C 0.102 177.123 176.870 0.252 0.000 1.232 231 L CA -1.302 53.675 54.840 0.227 0.000 1.031 231 L CB 0.019 42.216 42.059 0.229 0.000 1.379 231 L HN -0.699 7.440 8.230 0.141 0.176 0.563 232 R N -0.339 120.256 120.500 0.158 0.000 2.148 232 R HA -0.280 4.124 4.340 0.106 0.000 0.227 232 R C 1.841 178.207 176.300 0.109 0.000 1.103 232 R CA 2.432 58.599 56.100 0.111 0.000 0.983 232 R CB -0.731 29.606 30.300 0.061 0.000 0.874 232 R HN -0.171 8.116 8.270 0.134 0.063 0.451 233 S N -1.097 114.687 115.700 0.140 0.000 2.356 233 S HA -0.277 4.223 4.470 0.050 0.000 0.223 233 S C 1.456 176.130 174.600 0.124 0.000 1.032 233 S CA 3.381 61.644 58.200 0.104 0.000 1.005 233 S CB -0.488 62.779 63.200 0.113 0.000 0.867 233 S HN 0.142 8.528 8.310 0.158 0.019 0.449 234 F N 1.843 121.839 119.950 0.078 0.000 2.102 234 F HA -0.268 4.314 4.527 0.091 0.000 0.298 234 F C 1.291 177.171 175.800 0.134 0.000 1.105 234 F CA 2.611 60.667 58.000 0.093 0.000 1.239 234 F CB 0.037 39.063 39.000 0.044 0.000 0.991 234 F HN -0.726 7.815 8.300 0.401 0.000 0.474 235 I N -1.230 119.325 120.570 -0.025 0.000 2.163 235 I HA -0.698 3.256 4.170 -0.360 0.000 0.243 235 I C 1.717 177.731 176.117 -0.173 0.000 1.085 235 I CA 4.349 65.549 61.300 -0.168 0.000 1.347 235 I CB -0.418 37.586 38.000 0.007 0.000 1.044 235 I HN -0.644 7.688 8.210 0.204 0.000 0.408 236 D N -0.594 119.745 120.400 -0.101 0.000 2.144 236 D HA -0.193 4.385 4.640 -0.104 0.000 0.199 236 D C 2.345 178.534 176.300 -0.186 0.000 0.984 236 D CA 3.014 56.947 54.000 -0.113 0.000 0.834 236 D CB -0.443 40.316 40.800 -0.069 0.000 0.955 236 D HN -0.054 8.287 8.370 -0.048 0.000 0.465 237 T N -0.562 113.829 114.554 -0.270 0.000 2.777 237 T HA -0.274 3.853 4.350 -0.372 0.000 0.266 237 T C 1.278 175.613 174.700 -0.609 0.000 1.040 237 T CA 3.588 65.397 62.100 -0.486 0.000 1.141 237 T CB 0.555 69.021 68.868 -0.670 0.000 0.868 237 T HN -0.461 7.626 8.240 -0.224 0.019 0.444 238 Y N -2.481 117.656 120.300 -0.271 0.000 2.442 238 Y HA 0.073 4.511 4.550 -0.187 0.000 0.250 238 Y C -0.563 175.197 175.900 -0.233 0.000 1.113 238 Y CA -0.549 57.388 58.100 -0.271 0.000 1.273 238 Y CB 0.170 38.389 38.460 -0.401 0.000 1.138 238 Y HN -0.709 7.365 8.280 -0.344 0.000 0.522 239 A N 0.000 122.747 122.820 -0.122 0.000 2.254 239 A HA 0.000 4.259 4.320 -0.101 0.000 0.244 239 A CA 0.000 51.972 52.037 -0.109 0.000 0.836 239 A CB 0.000 18.930 19.000 -0.118 0.000 0.831 239 A HN 0.000 8.052 8.150 -0.164 0.000 0.486