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 1ppz_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 GGKDScQGDX 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 4.157 4.170 -0.022 0.000 0.288 16 I C 0.000 176.106 176.117 -0.019 0.000 1.063 16 I CA 0.000 61.279 61.300 -0.034 0.000 1.566 16 I CB 0.000 37.956 38.000 -0.073 0.000 1.214 17 V N 5.539 125.449 119.914 -0.006 0.000 2.427 17 V HA 0.227 4.473 4.120 -0.002 -0.126 0.286 17 V C 0.863 176.957 176.094 0.001 0.000 1.034 17 V CA -1.853 60.446 62.300 -0.000 0.000 0.893 17 V CB 0.421 32.247 31.823 0.006 0.000 0.982 17 V HN 0.711 8.900 8.190 -0.002 0.000 0.452 18 G N 7.086 115.886 108.800 -0.000 0.000 2.153 18 G HA2 -0.384 3.576 3.960 0.001 0.000 0.252 18 G HA3 -0.384 3.729 3.960 0.005 -0.150 0.252 18 G C -0.754 174.144 174.900 -0.003 0.000 0.994 18 G CA 0.434 45.535 45.100 0.001 0.000 0.698 18 G HN 0.746 9.035 8.290 -0.001 0.000 0.521 19 G N -1.671 107.122 108.800 -0.012 0.000 2.568 19 G HA2 0.411 4.396 3.960 -0.014 0.000 0.293 19 G HA3 0.411 4.403 3.960 -0.033 -0.052 0.293 19 G C -1.460 173.428 174.900 -0.020 0.000 1.347 19 G CA -1.051 44.037 45.100 -0.020 0.000 1.039 19 G HN -0.477 7.771 8.290 -0.014 0.034 0.523 20 T N -4.145 110.393 114.554 -0.027 0.000 2.883 20 T HA 0.263 4.602 4.350 -0.020 0.000 0.296 20 T C -0.600 174.076 174.700 -0.039 0.000 1.117 20 T CA -1.845 60.241 62.100 -0.023 0.000 1.006 20 T CB 2.006 70.868 68.868 -0.011 0.000 1.191 20 T HN 0.271 8.491 8.240 -0.033 0.000 0.508 21 S N 1.906 117.587 115.700 -0.032 0.000 2.516 21 S HA -0.123 4.309 4.470 -0.062 0.000 0.282 21 S C 0.664 175.241 174.600 -0.039 0.000 1.286 21 S CA 0.966 59.142 58.200 -0.041 0.000 1.066 21 S CB 0.086 63.274 63.200 -0.021 0.000 0.884 21 S HN 0.238 8.535 8.310 -0.021 0.000 0.491 22 A N 7.252 130.031 122.820 -0.067 0.000 2.425 22 A HA -0.066 4.334 4.320 -0.002 -0.081 0.242 22 A C -0.564 177.014 177.584 -0.009 0.000 1.077 22 A CA 0.028 52.045 52.037 -0.034 0.000 0.781 22 A CB 0.778 19.731 19.000 -0.077 0.000 1.020 22 A HN 0.029 8.114 8.150 -0.108 0.000 0.494 23 S N 2.468 118.177 115.700 0.015 0.000 2.646 23 S HA 0.125 4.602 4.470 0.011 0.000 0.276 23 S C -0.644 173.969 174.600 0.022 0.000 1.222 23 S CA -0.633 57.575 58.200 0.015 0.000 1.014 23 S CB 1.859 65.066 63.200 0.011 0.000 0.991 23 S HN 0.162 9.174 8.310 0.028 -0.685 0.533 24 A N 2.679 125.511 122.820 0.020 0.000 2.548 24 A HA -0.176 4.163 4.320 0.032 0.000 0.247 24 A C 0.887 178.482 177.584 0.018 0.000 1.067 24 A CA 1.843 53.895 52.037 0.024 0.000 0.757 24 A CB -0.443 18.571 19.000 0.022 0.000 0.996 24 A HN 0.356 8.517 8.150 0.017 0.000 0.504 25 G N 3.328 112.141 108.800 0.022 0.000 2.176 25 G HA2 -0.299 3.668 3.960 0.012 0.000 0.253 25 G HA3 -0.299 3.663 3.960 0.003 0.000 0.253 25 G C -0.239 174.657 174.900 -0.005 0.000 0.979 25 G CA 0.182 45.288 45.100 0.009 0.000 0.641 25 G HN 0.279 8.587 8.290 0.031 0.000 0.530 26 D N 0.045 120.454 120.400 0.015 0.000 2.178 26 D HA -0.169 4.426 4.640 -0.075 0.000 0.202 26 D C -0.595 175.597 176.300 -0.180 0.000 0.974 26 D CA 2.572 56.559 54.000 -0.023 0.000 0.841 26 D CB 0.509 41.383 40.800 0.123 0.000 0.953 26 D HN -0.192 8.155 8.370 0.039 0.046 0.478 27 F N -4.636 115.211 119.950 -0.171 0.000 2.710 27 F HA 0.402 4.710 4.527 -0.365 0.000 0.345 27 F C -2.316 173.245 175.800 -0.399 0.000 1.362 27 F CA -2.058 55.709 58.000 -0.388 0.000 1.175 27 F CB 0.954 39.661 39.000 -0.487 0.000 1.561 27 F HN -0.442 7.887 8.300 0.104 0.033 0.593 28 P HA -0.047 4.384 4.420 0.019 0.000 0.225 28 P C 0.260 177.607 177.300 0.078 0.000 1.148 28 P CA 1.540 64.654 63.100 0.024 0.000 0.779 28 P CB 0.078 31.820 31.700 0.069 0.000 0.780 29 F N -7.135 112.914 119.950 0.165 0.000 2.727 29 F HA 0.451 5.243 4.527 0.189 -0.152 0.302 29 F C -0.609 175.322 175.800 0.218 0.000 1.097 29 F CA -2.514 55.603 58.000 0.195 0.000 1.330 29 F CB -0.272 38.848 39.000 0.200 0.000 1.084 29 F HN -0.480 7.537 8.300 -0.278 0.116 0.578 30 I N 2.277 122.702 120.570 -0.241 0.000 2.634 30 I HA 0.156 4.497 4.170 0.047 -0.143 0.284 30 I C -0.864 175.361 176.117 0.179 0.000 1.124 30 I CA 0.179 61.455 61.300 -0.040 0.000 1.417 30 I CB 1.615 39.516 38.000 -0.165 0.000 1.396 30 I HN -0.473 7.352 8.210 -0.385 0.154 0.571 31 V N 4.032 124.087 119.914 0.234 0.000 2.769 31 V HA 0.880 5.235 4.120 0.173 -0.132 0.312 31 V C -1.266 174.937 176.094 0.182 0.000 1.061 31 V CA -3.236 59.176 62.300 0.187 0.000 0.931 31 V CB 3.263 35.164 31.823 0.130 0.000 1.010 31 V HN 0.322 8.654 8.190 0.236 0.000 0.433 32 S N 2.072 117.697 115.700 -0.124 0.000 2.541 32 S HA 0.346 4.700 4.470 -0.194 0.000 0.283 32 S C -0.737 173.785 174.600 -0.131 0.000 1.196 32 S CA -1.465 56.509 58.200 -0.377 0.000 1.062 32 S CB 1.540 64.057 63.200 -1.137 0.000 1.009 32 S HN -0.014 8.200 8.310 -0.158 0.000 0.502 33 I N 3.783 124.338 120.570 -0.026 0.000 2.411 33 I HA 0.608 5.014 4.170 0.073 -0.192 0.284 33 I C -0.665 175.554 176.117 0.171 0.000 1.012 33 I CA -1.135 60.223 61.300 0.097 0.000 1.119 33 I CB 1.888 39.980 38.000 0.152 0.000 1.261 33 I HN 0.478 8.678 8.210 -0.016 0.000 0.448 34 S N 7.037 122.808 115.700 0.118 0.000 2.646 34 S HA 0.588 5.245 4.470 0.134 -0.107 0.276 34 S C -1.123 173.536 174.600 0.097 0.000 1.222 34 S CA -1.367 56.893 58.200 0.100 0.000 1.014 34 S CB 2.280 65.476 63.200 -0.007 0.000 0.991 34 S HN 0.484 8.840 8.310 0.077 0.000 0.533 35 R N 1.504 121.968 120.500 -0.060 0.000 2.514 35 R HA 0.398 4.632 4.340 -0.538 -0.216 0.296 35 R C -0.528 175.555 176.300 -0.362 0.000 1.012 35 R CA -0.420 55.417 56.100 -0.438 0.000 0.897 35 R CB 2.479 32.211 30.300 -0.947 0.000 1.184 35 R HN 0.251 8.517 8.270 -0.006 0.000 0.440 36 N N 5.920 124.400 118.700 -0.367 0.000 2.782 36 N HA -0.349 4.243 4.740 -0.248 0.000 0.251 36 N C -0.157 175.257 175.510 -0.160 0.000 1.101 36 N CA 1.510 54.404 53.050 -0.261 0.000 0.764 36 N CB -1.313 37.006 38.487 -0.279 0.000 1.122 36 N HN 1.082 9.214 8.380 -0.414 0.000 0.561 37 G N -4.205 104.516 108.800 -0.133 0.000 2.159 37 G HA2 -0.334 3.580 3.960 -0.076 0.000 0.256 37 G HA3 -0.334 3.579 3.960 -0.078 0.000 0.256 37 G C -0.827 174.037 174.900 -0.060 0.000 0.977 37 G CA 0.624 45.674 45.100 -0.084 0.000 0.652 37 G HN 0.296 8.448 8.290 -0.153 0.046 0.531 38 G N -0.538 108.230 108.800 -0.053 0.000 2.600 38 G HA2 0.513 4.463 3.960 -0.016 0.000 0.303 38 G HA3 0.513 4.469 3.960 -0.007 0.000 0.303 38 G C -3.072 171.851 174.900 0.038 0.000 1.253 38 G CA -2.465 42.628 45.100 -0.012 0.000 0.974 38 G HN -0.639 7.537 8.290 -0.077 0.068 0.483 39 P HA -0.161 4.292 4.420 0.054 0.000 0.269 39 P C -1.862 175.596 177.300 0.263 0.000 1.215 39 P CA 0.419 63.578 63.100 0.098 0.000 0.780 39 P CB 1.143 32.884 31.700 0.068 0.000 0.898 40 W N 1.289 122.594 121.300 0.008 0.000 5.536 40 W HA 0.153 4.831 4.660 0.030 0.000 0.165 40 W C -1.738 174.824 176.519 0.071 0.000 1.879 40 W CA 0.429 57.798 57.345 0.040 0.000 1.983 40 W CB 1.704 31.201 29.460 0.061 0.000 0.657 40 W HN 0.023 8.339 8.180 0.227 0.000 1.106 41 C N -5.770 113.572 119.300 0.072 0.000 3.340 41 C HA 0.717 5.237 4.460 -0.107 -0.124 0.333 41 C C -1.821 173.227 174.990 0.098 0.000 1.464 41 C CA -2.314 56.684 59.018 -0.034 0.000 1.337 41 C CB 2.853 30.539 27.740 -0.091 0.000 1.740 41 C HN -0.115 8.254 8.230 0.231 0.000 0.450 42 G N -2.043 106.821 108.800 0.106 0.000 2.644 42 G HA2 0.789 5.008 3.960 0.234 0.000 0.307 42 G HA3 0.789 4.884 3.960 0.224 0.000 0.307 42 G C -2.270 172.706 174.900 0.128 0.000 1.250 42 G CA -1.847 43.365 45.100 0.186 0.000 0.996 42 G HN 0.335 8.656 8.290 0.053 0.000 0.489 43 G N -3.604 105.296 108.800 0.167 0.000 2.548 43 G HA2 0.546 4.866 3.960 0.139 0.000 0.301 43 G HA3 0.546 4.580 3.960 0.124 0.000 0.301 43 G C -2.853 172.186 174.900 0.233 0.000 1.349 43 G CA 0.215 45.407 45.100 0.155 0.000 0.792 43 G HN -0.170 8.247 8.290 0.212 0.000 0.481 44 S N -0.457 115.398 115.700 0.258 0.000 2.605 44 S HA 0.527 5.471 4.470 0.567 -0.133 0.308 44 S C -1.457 173.320 174.600 0.295 0.000 1.113 44 S CA -0.532 57.916 58.200 0.413 0.000 1.049 44 S CB 3.082 66.520 63.200 0.397 0.000 1.001 44 S HN 0.259 8.688 8.310 0.199 0.000 0.480 45 L N 6.706 128.149 121.223 0.367 0.000 2.433 45 L HA 0.078 4.652 4.340 0.172 -0.131 0.275 45 L C -0.770 176.216 176.870 0.193 0.000 1.128 45 L CA -0.047 54.954 54.840 0.268 0.000 0.875 45 L CB 0.240 42.522 42.059 0.370 0.000 1.171 45 L HN 0.623 9.145 8.230 0.488 0.000 0.463 46 L N 7.976 129.205 121.223 0.011 0.000 2.249 46 L HA -0.102 4.217 4.340 -0.035 0.000 0.207 46 L C -0.013 176.653 176.870 -0.339 0.000 1.090 46 L CA 1.316 56.103 54.840 -0.088 0.000 0.802 46 L CB 0.260 42.267 42.059 -0.085 0.000 0.947 46 L HN 0.508 8.736 8.230 -0.004 0.000 0.453 47 N N -4.582 113.736 118.700 -0.636 0.000 3.339 47 N HA 0.002 3.251 4.740 -2.486 0.000 0.275 47 N C -0.659 174.332 175.510 -0.866 0.000 1.514 47 N CA -0.263 52.053 53.050 -1.222 0.000 0.879 47 N CB 0.579 38.729 38.487 -0.563 0.000 1.557 47 N HN -0.722 7.409 8.380 -0.414 0.000 0.524 48 A N -3.127 119.363 122.820 -0.550 0.000 2.024 48 A HA -0.106 4.466 4.320 0.100 -0.192 0.220 48 A C 0.272 177.832 177.584 -0.041 0.000 1.164 48 A CA 2.495 54.493 52.037 -0.066 0.000 0.643 48 A CB 0.042 19.082 19.000 0.067 0.000 0.806 48 A HN 0.451 8.285 8.150 -0.528 0.000 0.451 49 N N -7.423 111.224 118.700 -0.087 0.000 2.299 49 N HA 0.179 4.913 4.740 -0.011 0.000 0.246 49 N C -1.784 173.699 175.510 -0.044 0.000 1.254 49 N CA -1.360 51.667 53.050 -0.038 0.000 0.879 49 N CB 1.531 40.002 38.487 -0.026 0.000 1.214 49 N HN -0.412 8.087 8.380 -0.139 -0.203 0.510 50 T N 2.554 117.066 114.554 -0.071 0.000 2.928 50 T HA 0.631 5.173 4.350 -0.039 -0.215 0.296 50 T C -2.066 172.617 174.700 -0.029 0.000 1.000 50 T CA 0.087 62.152 62.100 -0.057 0.000 0.989 50 T CB 3.254 72.069 68.868 -0.088 0.000 1.005 50 T HN -0.666 7.513 8.240 -0.101 0.000 0.442 51 V N 6.415 126.329 119.914 -0.000 0.000 2.555 51 V HA 0.552 4.874 4.120 0.057 -0.168 0.302 51 V C -2.412 173.701 176.094 0.032 0.000 1.038 51 V CA -1.787 60.534 62.300 0.035 0.000 0.887 51 V CB 3.650 35.500 31.823 0.045 0.000 0.991 51 V HN 0.664 8.850 8.190 -0.007 0.000 0.434 52 L N 7.703 128.963 121.223 0.062 0.000 2.275 52 L HA 0.746 5.285 4.340 0.068 -0.158 0.288 52 L C -1.907 175.012 176.870 0.082 0.000 1.046 52 L CA -1.268 53.618 54.840 0.076 0.000 0.805 52 L CB 2.025 44.139 42.059 0.091 0.000 1.193 52 L HN 0.510 8.790 8.230 0.082 0.000 0.426 53 T N 5.619 120.203 114.554 0.051 0.000 2.696 53 T HA 0.532 5.080 4.350 0.042 -0.172 0.291 53 T C -1.937 172.748 174.700 -0.024 0.000 1.095 53 T CA -3.125 58.982 62.100 0.012 0.000 1.026 53 T CB 2.219 71.065 68.868 -0.037 0.000 1.390 53 T HN 0.278 8.549 8.240 0.051 0.000 0.513 54 A N -0.360 122.390 122.820 -0.115 0.000 2.354 54 A HA 0.422 4.895 4.320 -0.080 -0.201 0.269 54 A C 0.630 178.038 177.584 -0.294 0.000 1.109 54 A CA -0.969 50.953 52.037 -0.193 0.000 0.800 54 A CB 0.907 19.676 19.000 -0.385 0.000 1.045 54 A HN 0.479 8.548 8.150 -0.135 0.000 0.489 55 A N 4.353 126.982 122.820 -0.318 0.000 1.908 55 A HA -0.293 3.763 4.320 -0.440 0.000 0.218 55 A C 1.320 178.643 177.584 -0.435 0.000 1.181 55 A CA 3.188 54.879 52.037 -0.576 0.000 0.627 55 A CB -0.521 17.671 19.000 -1.347 0.000 0.818 55 A HN 0.556 8.574 8.150 -0.238 -0.011 0.445 56 H N -5.291 113.669 119.070 -0.184 0.000 2.545 56 H HA -0.044 4.557 4.556 0.075 0.000 0.282 56 H C 0.608 176.065 175.328 0.216 0.000 1.020 56 H CA 1.669 57.755 56.048 0.065 0.000 1.243 56 H CB -1.354 28.493 29.762 0.141 0.000 1.377 56 H HN -0.175 8.288 8.280 -0.133 -0.262 0.581 57 C N -1.565 117.591 119.300 -0.239 0.000 2.432 57 C HA -0.083 4.543 4.460 0.277 0.000 0.280 57 C C 1.035 176.324 174.990 0.498 0.000 1.353 57 C CA 2.147 61.249 59.018 0.140 0.000 1.766 57 C CB -0.355 27.321 27.740 -0.108 0.000 1.924 57 C HN -0.294 7.475 8.230 -0.523 0.147 0.509 58 V N -7.868 112.160 119.914 0.191 0.000 3.485 58 V HA 0.220 4.542 4.120 0.337 0.000 0.280 58 V C -0.595 175.575 176.094 0.128 0.000 1.495 58 V CA -0.633 61.748 62.300 0.134 0.000 1.018 58 V CB 0.084 31.753 31.823 -0.256 0.000 0.818 58 V HN -0.507 7.663 8.190 0.038 0.042 0.436 59 S N 2.719 118.402 115.700 -0.027 0.000 2.525 59 S HA -0.178 4.244 4.470 -0.079 0.000 0.285 59 S C 0.865 175.219 174.600 -0.411 0.000 1.283 59 S CA 1.877 60.002 58.200 -0.126 0.000 1.072 59 S CB -0.128 63.061 63.200 -0.018 0.000 0.867 59 S HN -0.067 8.233 8.310 -0.016 0.000 0.492 60 G N 5.527 114.181 108.800 -0.244 0.000 2.153 60 G HA2 -0.361 3.525 3.960 -0.125 0.000 0.252 60 G HA3 -0.361 3.396 3.960 -0.340 0.000 0.252 60 G C -1.630 173.128 174.900 -0.238 0.000 0.994 60 G CA 0.337 45.277 45.100 -0.267 0.000 0.698 60 G HN 0.422 8.643 8.290 -0.115 0.000 0.521 61 Y N -0.956 119.425 120.300 0.134 0.000 2.524 61 Y HA 0.047 4.626 4.550 0.049 0.000 0.344 61 Y C -1.281 174.679 175.900 0.101 0.000 1.012 61 Y CA -2.524 55.644 58.100 0.114 0.000 1.068 61 Y CB 1.876 40.451 38.460 0.191 0.000 1.249 61 Y HN -0.803 7.266 8.280 -0.062 0.174 0.468 62 A N 1.442 124.363 122.820 0.167 0.000 2.515 62 A HA -0.049 4.320 4.320 0.081 0.000 0.263 62 A C 0.896 178.537 177.584 0.096 0.000 1.096 62 A CA 0.719 52.794 52.037 0.063 0.000 0.769 62 A CB 0.133 19.110 19.000 -0.038 0.000 1.040 62 A HN 0.327 8.559 8.150 0.137 0.000 0.505 63 Q N 4.404 124.314 119.800 0.184 0.000 2.226 63 Q HA -0.382 4.307 4.340 0.582 0.000 0.204 63 Q C 1.630 177.751 176.000 0.203 0.000 0.975 63 Q CA 2.949 58.936 55.803 0.308 0.000 0.866 63 Q CB -0.228 28.616 28.738 0.177 0.000 0.915 63 Q HN 0.855 9.210 8.270 0.141 0.000 0.440 64 S N -2.637 113.089 115.700 0.043 0.000 2.469 64 S HA -0.216 4.263 4.470 0.016 0.000 0.238 64 S C 1.204 175.732 174.600 -0.120 0.000 0.998 64 S CA 1.719 59.908 58.200 -0.019 0.000 0.957 64 S CB -0.692 62.486 63.200 -0.036 0.000 0.764 64 S HN -0.147 8.153 8.310 0.034 0.030 0.514 65 G N -0.948 107.669 108.800 -0.304 0.000 2.598 65 G HA2 0.005 3.756 3.960 -0.348 0.000 0.215 65 G HA3 0.005 3.547 3.960 -0.697 0.000 0.215 65 G C -0.950 173.632 174.900 -0.530 0.000 1.131 65 G CA 0.244 45.042 45.100 -0.503 0.000 0.785 65 G HN -0.532 7.526 8.290 -0.311 0.045 0.539 66 F N 0.031 119.924 119.950 -0.094 0.000 2.399 66 F HA 0.794 5.498 4.527 -0.095 -0.235 0.334 66 F C -1.016 174.757 175.800 -0.044 0.000 1.097 66 F CA -1.092 56.865 58.000 -0.071 0.000 1.076 66 F CB 1.786 40.766 39.000 -0.033 0.000 1.162 66 F HN -0.778 7.376 8.300 -0.115 0.076 0.495 67 Q N -0.447 119.444 119.800 0.151 0.000 2.372 67 Q HA 0.588 5.112 4.340 0.083 -0.135 0.273 67 Q C -1.563 174.481 176.000 0.073 0.000 1.078 67 Q CA -1.259 54.592 55.803 0.080 0.000 0.806 67 Q CB 5.140 33.890 28.738 0.020 0.000 1.332 67 Q HN 0.012 8.378 8.270 0.159 0.000 0.435 68 I N 1.704 122.303 120.570 0.049 0.000 2.437 68 I HA 0.641 5.013 4.170 0.025 -0.187 0.298 68 I C -1.342 174.777 176.117 0.003 0.000 0.984 68 I CA -1.967 59.351 61.300 0.030 0.000 1.214 68 I CB 2.352 40.378 38.000 0.044 0.000 1.365 68 I HN 0.662 8.901 8.210 0.049 0.000 0.469 69 R N 5.412 125.895 120.500 -0.028 0.000 2.561 69 R HA 0.746 5.270 4.340 -0.010 -0.190 0.297 69 R C -2.293 174.007 176.300 -0.000 0.000 0.969 69 R CA -1.930 54.149 56.100 -0.035 0.000 0.879 69 R CB 3.855 34.096 30.300 -0.097 0.000 1.178 69 R HN 0.388 8.631 8.270 -0.045 0.000 0.445 70 A N 3.801 126.645 122.820 0.041 0.000 2.384 70 A HA 0.679 5.060 4.320 0.101 0.000 0.312 70 A C -1.294 176.335 177.584 0.075 0.000 1.113 70 A CA -2.143 49.944 52.037 0.083 0.000 0.779 70 A CB 3.483 22.547 19.000 0.108 0.000 1.307 70 A HN 0.479 8.650 8.150 0.035 0.000 0.436 71 G N -0.734 108.120 108.800 0.090 0.000 2.182 71 G HA2 -0.442 3.560 3.960 0.070 0.000 0.248 71 G HA3 -0.442 3.554 3.960 0.060 0.000 0.248 71 G C -1.613 173.331 174.900 0.073 0.000 1.042 71 G CA 0.348 45.491 45.100 0.072 0.000 0.775 71 G HN 0.639 8.993 8.290 0.106 0.000 0.501 72 S N -2.397 113.367 115.700 0.105 0.000 2.537 72 S HA 0.153 4.678 4.470 0.092 0.000 0.270 72 S C -0.242 174.478 174.600 0.200 0.000 1.142 72 S CA -1.956 56.313 58.200 0.114 0.000 0.870 72 S CB 1.257 64.505 63.200 0.079 0.000 1.112 72 S HN -0.514 7.873 8.310 0.129 0.000 0.466 73 L N 2.865 124.194 121.223 0.176 0.000 2.291 73 L HA -0.033 4.445 4.340 0.230 0.000 0.214 73 L C -0.072 177.030 176.870 0.387 0.000 1.120 73 L CA 0.718 55.692 54.840 0.223 0.000 0.799 73 L CB 0.293 42.421 42.059 0.115 0.000 0.925 73 L HN 0.222 8.528 8.230 0.127 0.000 0.446 74 S N -2.866 112.990 115.700 0.260 0.000 2.562 74 S HA 0.174 5.097 4.470 0.307 -0.270 0.275 74 S C 0.510 175.119 174.600 0.014 0.000 1.281 74 S CA -0.943 57.380 58.200 0.205 0.000 1.045 74 S CB 1.397 64.650 63.200 0.089 0.000 0.962 74 S HN -0.708 7.676 8.310 0.181 0.034 0.503 75 R N 3.238 123.583 120.500 -0.258 0.000 2.297 75 R HA 0.176 4.068 4.340 -0.747 0.000 0.197 75 R C 1.453 177.575 176.300 -0.298 0.000 0.943 75 R CA 1.168 56.883 56.100 -0.641 0.000 1.038 75 R CB 0.545 30.188 30.300 -1.094 0.000 0.957 75 R HN 0.095 8.291 8.270 -0.123 0.000 0.484 76 T N -5.653 108.815 114.554 -0.145 0.000 2.990 76 T HA 0.155 4.444 4.350 -0.103 0.000 0.250 76 T C -0.764 173.905 174.700 -0.053 0.000 1.041 76 T CA 0.154 62.202 62.100 -0.087 0.000 1.010 76 T CB 1.333 70.171 68.868 -0.050 0.000 1.003 76 T HN -0.146 7.977 8.240 -0.104 0.055 0.499 77 S N 0.489 116.168 115.700 -0.035 0.000 2.536 77 S HA 0.091 4.552 4.470 -0.015 0.000 0.271 77 S C -1.112 173.488 174.600 -0.000 0.000 1.134 77 S CA 0.112 58.305 58.200 -0.012 0.000 0.897 77 S CB 2.222 65.423 63.200 0.002 0.000 1.094 77 S HN -0.639 7.648 8.310 -0.039 0.000 0.473 78 G N 2.313 111.115 108.800 0.004 0.000 2.781 78 G HA2 -0.324 3.645 3.960 0.014 0.000 0.683 78 G HA3 -0.324 3.649 3.960 0.022 0.000 0.683 78 G C -1.064 173.845 174.900 0.014 0.000 1.390 78 G CA -0.195 44.914 45.100 0.014 0.000 0.850 78 G HN 0.427 8.717 8.290 0.001 0.000 0.557 79 G N -0.161 108.653 108.800 0.022 0.000 2.642 79 G HA2 -0.364 3.615 3.960 0.032 0.000 0.231 79 G HA3 -0.364 3.800 3.960 0.031 -0.185 0.231 79 G C -0.871 174.042 174.900 0.023 0.000 1.338 79 G CA -0.181 44.936 45.100 0.028 0.000 0.883 79 G HN -0.032 8.272 8.290 0.023 0.000 0.570 80 I N 3.076 123.664 120.570 0.029 0.000 2.474 80 I HA 0.298 4.482 4.170 0.024 0.000 0.294 80 I C -0.779 175.354 176.117 0.025 0.000 1.005 80 I CA -0.989 60.329 61.300 0.030 0.000 1.113 80 I CB 2.324 40.350 38.000 0.043 0.000 1.289 80 I HN 0.062 8.293 8.210 0.036 0.000 0.436 81 T N 3.055 117.620 114.554 0.018 0.000 2.918 81 T HA 0.919 5.487 4.350 0.014 -0.209 0.286 81 T C -0.967 173.746 174.700 0.022 0.000 1.026 81 T CA -2.060 60.048 62.100 0.014 0.000 1.031 81 T CB 2.283 71.152 68.868 0.002 0.000 1.046 81 T HN 0.186 8.437 8.240 0.018 0.000 0.479 82 S N 0.223 115.938 115.700 0.025 0.000 2.541 82 S HA 0.313 4.798 4.470 0.025 0.000 0.271 82 S C -1.531 173.090 174.600 0.034 0.000 1.133 82 S CA -1.039 57.178 58.200 0.029 0.000 0.876 82 S CB 1.719 64.940 63.200 0.035 0.000 1.105 82 S HN 0.156 8.480 8.310 0.024 0.000 0.470 83 S N 4.551 120.270 115.700 0.032 0.000 2.645 83 S HA 0.268 4.770 4.470 0.053 0.000 0.266 83 S C -0.445 174.183 174.600 0.046 0.000 1.258 83 S CA 0.134 58.359 58.200 0.042 0.000 0.990 83 S CB 1.370 64.588 63.200 0.030 0.000 0.967 83 S HN 0.427 8.753 8.310 0.026 0.000 0.556 84 L N 0.304 121.564 121.223 0.062 0.000 2.307 84 L HA 0.227 4.719 4.340 0.036 -0.130 0.282 84 L C 0.635 177.527 176.870 0.037 0.000 1.051 84 L CA -0.459 54.410 54.840 0.049 0.000 0.804 84 L CB 0.619 42.718 42.059 0.066 0.000 1.197 84 L HN 0.562 8.839 8.230 0.078 0.000 0.431 85 S N 3.242 118.955 115.700 0.023 0.000 2.439 85 S HA 0.054 4.536 4.470 0.019 0.000 0.224 85 S C -0.087 174.522 174.600 0.014 0.000 1.029 85 S CA 1.499 59.709 58.200 0.017 0.000 0.946 85 S CB 1.212 64.418 63.200 0.011 0.000 0.797 85 S HN 0.650 8.863 8.310 0.018 0.107 0.504 86 S N -0.994 114.711 115.700 0.008 0.000 2.565 86 S HA 0.166 4.640 4.470 0.006 0.000 0.269 86 S C -2.532 172.060 174.600 -0.012 0.000 1.153 86 S CA -0.080 58.120 58.200 -0.001 0.000 0.835 86 S CB 2.215 65.409 63.200 -0.010 0.000 1.122 86 S HN -0.707 7.607 8.310 0.006 0.000 0.462 87 V N 0.983 120.886 119.914 -0.018 0.000 2.531 87 V HA 0.357 4.577 4.120 -0.042 -0.125 0.301 87 V C -0.601 175.467 176.094 -0.043 0.000 1.034 87 V CA -0.578 61.701 62.300 -0.034 0.000 0.865 87 V CB 2.534 34.339 31.823 -0.030 0.000 0.995 87 V HN 0.237 8.420 8.190 -0.012 0.000 0.424 88 R N 8.624 129.097 120.500 -0.045 0.000 2.371 88 R HA 0.337 4.633 4.340 -0.073 0.000 0.312 88 R C -1.722 174.605 176.300 0.045 0.000 0.980 88 R CA -1.571 54.496 56.100 -0.054 0.000 0.867 88 R CB 1.920 32.114 30.300 -0.178 0.000 1.163 88 R HN 0.621 8.870 8.270 -0.034 0.000 0.492 89 V N 7.037 126.943 119.914 -0.013 0.000 2.775 89 V HA -0.162 3.915 4.120 -0.071 0.000 0.299 89 V C -0.155 175.859 176.094 -0.134 0.000 1.062 89 V CA -0.442 61.820 62.300 -0.064 0.000 1.063 89 V CB 0.607 32.371 31.823 -0.099 0.000 0.994 89 V HN 0.349 8.518 8.190 -0.036 0.000 0.483 90 H N 7.941 126.689 119.070 -0.537 0.000 3.167 90 H HA -0.129 3.341 4.556 -1.809 0.000 0.306 90 H C 0.579 175.707 175.328 -0.335 0.000 0.965 90 H CA 1.385 56.846 56.048 -0.978 0.000 1.408 90 H CB 0.880 30.152 29.762 -0.817 0.000 1.406 90 H HN -0.149 7.943 8.280 -0.314 0.000 0.576 91 P HA -0.120 4.271 4.420 -0.048 0.000 0.217 91 P C -0.372 176.957 177.300 0.049 0.000 1.148 91 P CA 2.027 65.080 63.100 -0.078 0.000 0.828 91 P CB 0.257 31.908 31.700 -0.082 0.000 0.783 92 S N -2.139 113.667 115.700 0.177 0.000 2.573 92 S HA 0.127 4.643 4.470 0.077 0.000 0.244 92 S C -1.667 173.002 174.600 0.115 0.000 0.984 92 S CA -0.285 58.008 58.200 0.155 0.000 1.001 92 S CB 0.139 63.437 63.200 0.162 0.000 0.788 92 S HN -0.497 7.962 8.310 0.301 0.032 0.456 93 Y N 4.077 124.374 120.300 -0.006 0.000 2.402 93 Y HA 0.325 5.011 4.550 -0.105 -0.200 0.333 93 Y C -0.265 175.594 175.900 -0.067 0.000 1.076 93 Y CA 0.019 58.079 58.100 -0.066 0.000 1.299 93 Y CB 0.748 39.172 38.460 -0.061 0.000 1.197 93 Y HN -0.726 7.634 8.280 0.247 0.068 0.517 94 S N 7.762 122.975 115.700 -0.812 0.000 2.548 94 S HA 0.158 4.049 4.470 -0.966 0.000 0.278 94 S C -0.426 173.830 174.600 -0.573 0.000 1.150 94 S CA -0.758 56.997 58.200 -0.742 0.000 0.907 94 S CB 2.176 65.158 63.200 -0.364 0.000 1.108 94 S HN 0.226 8.199 8.310 -0.561 0.000 0.459 95 G N 6.977 115.470 108.800 -0.512 0.000 3.024 95 G HA2 -0.448 3.307 3.960 -0.341 0.000 0.339 95 G HA3 -0.448 3.295 3.960 -0.362 0.000 0.339 95 G C -0.306 174.345 174.900 -0.415 0.000 1.200 95 G CA 2.283 47.147 45.100 -0.393 0.000 0.968 95 G HN 0.579 8.556 8.290 -0.522 0.000 0.593 96 N N 3.716 122.144 118.700 -0.453 0.000 2.143 96 N HA 0.001 4.508 4.740 -0.388 0.000 0.222 96 N C -1.937 173.447 175.510 -0.210 0.000 1.264 96 N CA -0.603 52.138 53.050 -0.515 0.000 0.897 96 N CB 2.079 39.777 38.487 -1.316 0.000 1.092 96 N HN 0.170 8.263 8.380 -0.478 0.000 0.516 97 N N -0.349 118.249 118.700 -0.170 0.000 2.509 97 N HA 0.083 4.810 4.740 -0.022 0.000 0.287 97 N C -1.144 174.351 175.510 -0.025 0.000 1.121 97 N CA -0.066 52.941 53.050 -0.072 0.000 0.977 97 N CB 1.692 40.119 38.487 -0.100 0.000 1.167 97 N HN -0.544 7.604 8.380 -0.242 0.086 0.476 98 N N -1.844 116.818 118.700 -0.063 0.000 2.738 98 N HA -0.376 4.192 4.740 -0.286 0.000 0.249 98 N C -1.361 174.133 175.510 -0.028 0.000 1.047 98 N CA 1.499 54.416 53.050 -0.222 0.000 0.707 98 N CB -0.903 37.280 38.487 -0.508 0.000 0.937 98 N HN 0.712 9.062 8.380 -0.049 0.000 0.545 99 D N -0.609 119.841 120.400 0.083 0.000 2.801 99 D HA 0.019 4.745 4.640 0.144 0.000 0.232 99 D C -1.702 174.608 176.300 0.017 0.000 1.128 99 D CA -0.441 53.635 54.000 0.126 0.000 1.003 99 D CB -0.943 40.004 40.800 0.245 0.000 1.110 99 D HN 0.154 8.567 8.370 0.071 0.000 0.477 100 L N -0.404 120.791 121.223 -0.047 0.000 2.370 100 L HA 0.729 5.263 4.340 0.046 -0.167 0.266 100 L C -2.322 174.560 176.870 0.021 0.000 1.002 100 L CA -1.402 53.466 54.840 0.047 0.000 0.818 100 L CB 4.790 46.986 42.059 0.229 0.000 1.325 100 L HN -0.431 7.667 8.230 -0.092 0.077 0.418 101 A N -0.019 122.864 122.820 0.104 0.000 2.486 101 A HA 0.888 5.493 4.320 0.230 -0.147 0.300 101 A C -2.195 175.486 177.584 0.161 0.000 1.048 101 A CA -1.576 50.538 52.037 0.129 0.000 0.696 101 A CB 4.159 23.128 19.000 -0.052 0.000 1.278 101 A HN 0.725 8.929 8.150 0.091 0.000 0.405 102 I N 1.599 122.261 120.570 0.154 0.000 2.321 102 I HA 0.588 4.929 4.170 0.021 -0.158 0.291 102 I C -1.190 174.917 176.117 -0.015 0.000 0.998 102 I CA -2.104 59.209 61.300 0.021 0.000 1.227 102 I CB 0.804 38.752 38.000 -0.087 0.000 1.368 102 I HN 0.314 8.663 8.210 0.230 0.000 0.466 103 L N 7.179 128.388 121.223 -0.023 0.000 2.317 103 L HA 0.545 5.006 4.340 -0.039 -0.143 0.281 103 L C -0.578 176.279 176.870 -0.023 0.000 1.024 103 L CA -1.451 53.370 54.840 -0.033 0.000 0.810 103 L CB 1.732 43.765 42.059 -0.044 0.000 1.240 103 L HN 0.881 9.102 8.230 -0.015 0.000 0.427 104 K N 2.026 122.415 120.400 -0.018 0.000 2.182 104 K HA 0.680 5.187 4.320 -0.016 -0.197 0.262 104 K C -0.773 175.827 176.600 -0.000 0.000 0.957 104 K CA -2.417 53.862 56.287 -0.012 0.000 0.842 104 K CB 2.314 34.807 32.500 -0.011 0.000 1.099 104 K HN 0.363 8.602 8.250 -0.019 0.000 0.438 105 L N 3.894 125.119 121.223 0.003 0.000 2.289 105 L HA 0.332 4.825 4.340 0.019 -0.142 0.285 105 L C 0.371 177.250 176.870 0.015 0.000 1.049 105 L CA -0.988 53.861 54.840 0.014 0.000 0.804 105 L CB 0.771 42.842 42.059 0.020 0.000 1.195 105 L HN -0.050 8.179 8.230 -0.003 0.000 0.428 106 S N 2.514 118.226 115.700 0.019 0.000 2.527 106 S HA 0.003 4.481 4.470 0.014 0.000 0.222 106 S C 0.657 175.268 174.600 0.019 0.000 0.985 106 S CA 1.368 59.578 58.200 0.017 0.000 0.921 106 S CB 0.777 63.987 63.200 0.017 0.000 0.772 106 S HN 0.253 8.577 8.310 0.022 0.000 0.529 107 T N 6.410 120.978 114.554 0.023 0.000 2.770 107 T HA 0.122 4.487 4.350 0.024 0.000 0.283 107 T C -1.207 173.514 174.700 0.034 0.000 0.988 107 T CA -0.144 61.972 62.100 0.026 0.000 0.957 107 T CB 1.302 70.186 68.868 0.027 0.000 0.930 107 T HN -0.537 7.688 8.240 0.025 0.029 0.443 108 S N 5.708 121.430 115.700 0.036 0.000 2.572 108 S HA -0.016 4.633 4.470 0.043 -0.153 0.279 108 S C -0.330 174.312 174.600 0.070 0.000 1.341 108 S CA 0.896 59.124 58.200 0.048 0.000 1.043 108 S CB 0.765 63.992 63.200 0.046 0.000 0.887 108 S HN 0.315 8.644 8.310 0.032 0.000 0.516 109 I N 4.293 124.925 120.570 0.103 0.000 2.460 109 I HA 0.339 4.573 4.170 0.106 0.000 0.277 109 I C -1.994 174.245 176.117 0.204 0.000 1.057 109 I CA -4.039 57.344 61.300 0.138 0.000 1.179 109 I CB -0.254 37.842 38.000 0.162 0.000 1.329 109 I HN 0.430 8.588 8.210 0.102 0.113 0.478 110 P HA 0.212 4.747 4.420 0.191 0.000 0.271 110 P C -0.534 176.799 177.300 0.055 0.000 1.216 110 P CA -0.465 62.715 63.100 0.133 0.000 0.776 110 P CB 0.305 32.047 31.700 0.071 0.000 0.881 111 S N 2.839 118.514 115.700 -0.041 0.000 2.645 111 S HA -0.231 4.152 4.470 -0.296 -0.091 0.266 111 S C 0.384 174.908 174.600 -0.126 0.000 1.258 111 S CA 0.082 58.110 58.200 -0.287 0.000 0.990 111 S CB 0.999 63.794 63.200 -0.675 0.000 0.967 111 S HN -0.232 8.113 8.310 0.059 0.000 0.556 112 G N 0.290 109.009 108.800 -0.135 0.000 2.541 112 G HA2 -0.280 3.640 3.960 -0.068 0.000 0.686 112 G HA3 -0.280 3.651 3.960 -0.050 0.000 0.686 112 G C -0.429 174.445 174.900 -0.043 0.000 1.286 112 G CA -1.086 43.973 45.100 -0.068 0.000 0.894 112 G HN 0.074 8.254 8.290 -0.183 0.000 0.575 113 G N -0.233 108.552 108.800 -0.026 0.000 2.665 113 G HA2 -0.409 3.545 3.960 -0.010 0.000 0.326 113 G HA3 -0.409 3.546 3.960 -0.008 0.000 0.326 113 G C -0.350 174.541 174.900 -0.016 0.000 1.231 113 G CA 1.258 46.349 45.100 -0.014 0.000 0.992 113 G HN 0.410 8.685 8.290 -0.024 0.000 0.549 114 N N 3.041 121.737 118.700 -0.006 0.000 2.299 114 N HA 0.056 4.796 4.740 0.001 0.000 0.187 114 N C -0.273 175.239 175.510 0.003 0.000 1.099 114 N CA 0.410 53.461 53.050 0.002 0.000 0.867 114 N CB 1.018 39.514 38.487 0.015 0.000 0.974 114 N HN 0.121 8.500 8.380 -0.003 0.000 0.477 115 I N -0.528 120.033 120.570 -0.014 0.000 2.392 115 I HA 0.226 4.573 4.170 0.023 -0.163 0.295 115 I C -1.144 174.911 176.117 -0.103 0.000 0.985 115 I CA -0.429 60.861 61.300 -0.016 0.000 1.221 115 I CB 1.828 39.832 38.000 0.006 0.000 1.366 115 I HN -0.587 7.559 8.210 -0.023 0.050 0.467 116 G N 3.989 112.749 108.800 -0.066 0.000 2.733 116 G HA2 0.368 4.085 3.960 -0.405 0.000 0.288 116 G HA3 0.368 4.297 3.960 -0.052 0.000 0.288 116 G C -2.866 172.039 174.900 0.009 0.000 1.373 116 G CA -1.156 43.844 45.100 -0.167 0.000 0.895 116 G HN -0.394 7.801 8.290 0.034 0.116 0.479 117 Y N -2.357 118.028 120.300 0.143 0.000 2.446 117 Y HA 0.457 5.251 4.550 0.162 -0.147 0.338 117 Y C 0.220 176.116 175.900 -0.006 0.000 1.055 117 Y CA -3.066 55.096 58.100 0.103 0.000 1.101 117 Y CB 2.023 40.509 38.460 0.044 0.000 1.221 117 Y HN -0.007 8.222 8.280 -0.086 0.000 0.460 118 A N 2.563 125.367 122.820 -0.027 0.000 2.445 118 A HA 0.001 3.791 4.320 -0.885 0.000 0.242 118 A C -1.079 176.364 177.584 -0.235 0.000 1.075 118 A CA -0.052 51.664 52.037 -0.536 0.000 0.777 118 A CB 0.982 19.542 19.000 -0.733 0.000 1.013 118 A HN 0.214 8.411 8.150 0.078 0.000 0.493 119 R N 2.768 123.118 120.500 -0.249 0.000 2.229 119 R HA 0.175 4.463 4.340 -0.086 0.000 0.332 119 R C -1.472 174.750 176.300 -0.129 0.000 0.989 119 R CA -1.317 54.707 56.100 -0.127 0.000 0.842 119 R CB 1.011 31.261 30.300 -0.083 0.000 1.119 119 R HN 0.414 8.481 8.270 -0.337 0.000 0.456 120 L N 5.867 127.039 121.223 -0.085 0.000 2.371 120 L HA 0.188 4.488 4.340 -0.066 0.000 0.272 120 L C 0.232 177.078 176.870 -0.039 0.000 1.124 120 L CA -0.729 54.077 54.840 -0.057 0.000 0.816 120 L CB 1.021 43.059 42.059 -0.034 0.000 1.129 120 L HN 0.472 8.660 8.230 -0.070 0.000 0.448 121 A N 1.115 123.919 122.820 -0.028 0.000 2.520 121 A HA -0.122 4.175 4.320 -0.039 0.000 0.235 121 A C -0.591 176.982 177.584 -0.018 0.000 1.065 121 A CA 0.283 52.303 52.037 -0.029 0.000 0.764 121 A CB 0.884 19.865 19.000 -0.031 0.000 1.002 121 A HN 0.021 8.158 8.150 -0.021 0.000 0.502 122 A N 2.064 124.870 122.820 -0.023 0.000 2.531 122 A HA -0.152 4.160 4.320 -0.013 0.000 0.236 122 A C 0.067 177.648 177.584 -0.005 0.000 1.062 122 A CA 0.181 52.209 52.037 -0.015 0.000 0.760 122 A CB 0.255 19.243 19.000 -0.019 0.000 0.995 122 A HN 0.307 8.438 8.150 -0.031 0.000 0.501 123 S N 2.014 117.716 115.700 0.003 0.000 2.546 123 S HA -0.429 4.186 4.470 0.024 -0.131 0.290 123 S C 1.898 176.505 174.600 0.012 0.000 1.290 123 S CA 1.244 59.453 58.200 0.015 0.000 1.069 123 S CB -0.053 63.156 63.200 0.015 0.000 0.846 123 S HN 0.042 8.352 8.310 -0.000 0.000 0.495 124 G N 6.909 115.720 108.800 0.019 0.000 2.176 124 G HA2 -0.377 3.597 3.960 0.023 0.000 0.253 124 G HA3 -0.377 3.591 3.960 0.012 0.000 0.253 124 G C -0.931 173.971 174.900 0.004 0.000 0.979 124 G CA -0.028 45.081 45.100 0.015 0.000 0.641 124 G HN 0.176 8.483 8.290 0.028 0.000 0.530 125 S N 0.409 116.106 115.700 -0.006 0.000 2.585 125 S HA 0.087 4.540 4.470 -0.028 0.000 0.277 125 S C -1.297 173.277 174.600 -0.043 0.000 1.241 125 S CA -0.496 57.686 58.200 -0.029 0.000 1.041 125 S CB 1.799 64.973 63.200 -0.044 0.000 0.987 125 S HN -0.548 7.694 8.310 -0.002 0.067 0.512 126 D N 2.720 123.081 120.400 -0.066 0.000 2.649 126 D HA 0.346 4.919 4.640 -0.112 0.000 0.249 126 D C -1.733 174.464 176.300 -0.172 0.000 1.112 126 D CA -3.263 50.679 54.000 -0.097 0.000 0.850 126 D CB 2.448 43.227 40.800 -0.034 0.000 1.399 126 D HN 0.062 8.396 8.370 -0.060 0.000 0.503 127 P HA -0.001 4.250 4.420 -0.282 0.000 0.265 127 P C -0.985 176.208 177.300 -0.179 0.000 1.193 127 P CA -0.337 62.555 63.100 -0.347 0.000 0.765 127 P CB 0.581 31.850 31.700 -0.719 0.000 0.823 128 V N 3.094 122.934 119.914 -0.123 0.000 2.498 128 V HA -0.007 4.081 4.120 -0.053 0.000 0.279 128 V C 0.169 176.238 176.094 -0.042 0.000 1.048 128 V CA -0.945 61.316 62.300 -0.065 0.000 0.967 128 V CB 0.488 32.280 31.823 -0.052 0.000 0.988 128 V HN 0.271 8.382 8.190 -0.133 0.000 0.473 129 A N 6.946 129.756 122.820 -0.016 0.000 2.546 129 A HA -0.303 4.024 4.320 0.013 0.000 0.243 129 A C 0.774 178.356 177.584 -0.003 0.000 1.063 129 A CA 1.296 53.335 52.037 0.003 0.000 0.757 129 A CB -0.282 18.726 19.000 0.013 0.000 0.991 129 A HN 0.324 8.466 8.150 -0.013 0.000 0.503 130 G N 3.815 112.617 108.800 0.003 0.000 2.241 130 G HA2 -0.365 3.597 3.960 0.004 0.000 0.244 130 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.244 130 G C 0.115 175.011 174.900 -0.007 0.000 0.998 130 G CA -0.314 44.785 45.100 -0.000 0.000 0.621 130 G HN 0.392 8.582 8.290 0.011 0.107 0.519 131 S N 1.372 117.061 115.700 -0.018 0.000 2.593 131 S HA 0.011 4.469 4.470 -0.021 0.000 0.269 131 S C -0.591 173.997 174.600 -0.020 0.000 1.334 131 S CA 0.349 58.534 58.200 -0.025 0.000 1.015 131 S CB 1.591 64.765 63.200 -0.043 0.000 0.912 131 S HN -0.419 7.794 8.310 -0.021 0.084 0.541 132 S N 1.438 117.127 115.700 -0.019 0.000 2.452 132 S HA 0.115 4.582 4.470 -0.005 0.000 0.284 132 S C -1.508 173.084 174.600 -0.013 0.000 1.171 132 S CA 1.048 59.241 58.200 -0.010 0.000 1.064 132 S CB 0.523 63.719 63.200 -0.007 0.000 0.967 132 S HN 0.196 8.494 8.310 -0.021 0.000 0.484 133 A N 4.917 127.734 122.820 -0.005 0.000 2.380 133 A HA 0.777 5.222 4.320 -0.000 -0.126 0.315 133 A C -1.758 175.841 177.584 0.025 0.000 1.101 133 A CA -2.022 50.014 52.037 -0.001 0.000 0.771 133 A CB 3.644 22.632 19.000 -0.020 0.000 1.287 133 A HN 0.657 8.806 8.150 -0.001 0.000 0.436 134 T N 3.760 118.356 114.554 0.071 0.000 2.812 134 T HA 0.729 5.319 4.350 0.088 -0.187 0.282 134 T C -1.038 173.770 174.700 0.179 0.000 0.990 134 T CA -0.707 61.472 62.100 0.133 0.000 0.960 134 T CB 1.805 70.789 68.868 0.193 0.000 0.948 134 T HN 0.363 8.650 8.240 0.079 0.000 0.438 135 V N 5.639 125.605 119.914 0.087 0.000 2.628 135 V HA 0.865 5.199 4.120 0.051 -0.184 0.306 135 V C -2.123 173.890 176.094 -0.135 0.000 1.045 135 V CA -2.813 59.500 62.300 0.021 0.000 0.905 135 V CB 2.298 34.155 31.823 0.057 0.000 0.997 135 V HN 0.517 8.745 8.190 0.064 0.000 0.436 136 A N 2.953 125.573 122.820 -0.335 0.000 2.498 136 A HA 0.967 5.167 4.320 -0.440 -0.144 0.298 136 A C -1.954 175.355 177.584 -0.458 0.000 1.075 136 A CA -1.815 49.880 52.037 -0.572 0.000 0.714 136 A CB 3.968 22.211 19.000 -1.261 0.000 1.299 136 A HN -0.116 7.872 8.150 -0.271 0.000 0.407 137 G N -1.024 107.467 108.800 -0.516 0.000 2.320 137 G HA2 0.229 3.878 3.960 -0.518 0.000 0.296 137 G HA3 0.229 4.236 3.960 -0.176 -0.153 0.296 137 G C -2.022 172.622 174.900 -0.427 0.000 1.306 137 G CA 0.554 45.405 45.100 -0.415 0.000 0.836 137 G HN 0.015 7.977 8.290 -0.546 0.000 0.517 138 W N -0.156 121.108 121.300 -0.059 0.000 2.926 138 W HA 0.333 4.971 4.660 -0.036 0.000 0.419 138 W C -1.054 175.449 176.519 -0.028 0.000 0.993 138 W CA -1.133 56.190 57.345 -0.036 0.000 2.025 138 W CB 1.218 30.665 29.460 -0.022 0.000 1.152 138 W HN 0.516 8.898 8.180 0.337 0.000 0.659 139 G N -0.887 107.988 108.800 0.125 0.000 2.588 139 G HA2 0.218 4.255 3.960 0.081 0.000 0.278 139 G HA3 0.218 4.295 3.960 0.037 -0.094 0.278 139 G C -1.399 173.527 174.900 0.044 0.000 1.307 139 G CA -1.120 44.021 45.100 0.068 0.000 1.016 139 G HN -0.379 8.217 8.290 0.079 -0.259 0.503 140 A N -1.126 121.709 122.820 0.025 0.000 2.507 140 A HA -0.067 4.269 4.320 0.028 0.000 0.235 140 A C 0.180 177.770 177.584 0.010 0.000 1.070 140 A CA 0.584 52.632 52.037 0.020 0.000 0.768 140 A CB 1.122 20.129 19.000 0.012 0.000 1.011 140 A HN -0.009 8.152 8.150 0.018 0.000 0.502 141 T N -5.806 108.755 114.554 0.011 0.000 3.086 141 T HA 0.127 4.722 4.350 -0.000 -0.246 0.250 141 T C -0.421 174.282 174.700 0.005 0.000 1.074 141 T CA -0.378 61.725 62.100 0.005 0.000 0.988 141 T CB 0.877 69.748 68.868 0.006 0.000 0.988 141 T HN 0.361 8.610 8.240 0.015 0.000 0.530 142 S N -0.539 115.165 115.700 0.007 0.000 2.570 142 S HA 0.100 4.574 4.470 0.006 0.000 0.270 142 S C -1.924 172.679 174.600 0.005 0.000 1.149 142 S CA -1.204 57.000 58.200 0.006 0.000 0.837 142 S CB 2.687 65.891 63.200 0.007 0.000 1.124 142 S HN -0.799 7.463 8.310 0.008 0.053 0.465 143 E N 4.512 124.714 120.200 0.004 0.000 2.465 143 E HA -0.301 4.048 4.350 -0.002 0.000 0.260 143 E C 1.049 177.650 176.600 0.002 0.000 0.980 143 E CA 1.266 57.667 56.400 0.001 0.000 0.927 143 E CB 0.144 29.843 29.700 -0.001 0.000 0.934 143 E HN 0.446 8.809 8.360 0.005 0.000 0.459 144 G N 4.909 113.710 108.800 0.002 0.000 2.168 144 G HA2 -0.357 3.607 3.960 0.006 0.000 0.263 144 G HA3 -0.357 3.606 3.960 0.005 0.000 0.263 144 G C 0.023 174.928 174.900 0.009 0.000 0.977 144 G CA -0.032 45.071 45.100 0.005 0.000 0.659 144 G HN 0.674 8.964 8.290 -0.000 0.000 0.533 145 G N -0.346 108.460 108.800 0.010 0.000 2.491 145 G HA2 0.049 4.016 3.960 0.013 0.000 0.238 145 G HA3 0.049 4.017 3.960 0.014 0.000 0.238 145 G C -0.390 174.521 174.900 0.018 0.000 1.277 145 G CA -0.892 44.216 45.100 0.013 0.000 0.851 145 G HN -0.436 7.793 8.290 0.008 0.065 0.573 146 S N 1.620 117.331 115.700 0.019 0.000 2.492 146 S HA 0.010 4.494 4.470 0.024 0.000 0.218 146 S C 0.171 174.787 174.600 0.027 0.000 1.016 146 S CA 0.659 58.872 58.200 0.022 0.000 0.916 146 S CB 0.749 63.960 63.200 0.019 0.000 0.791 146 S HN 0.278 8.599 8.310 0.017 0.000 0.513 147 S N 2.249 117.965 115.700 0.026 0.000 2.616 147 S HA 0.105 4.594 4.470 0.032 0.000 0.277 147 S C -1.112 173.512 174.600 0.040 0.000 1.234 147 S CA -0.054 58.165 58.200 0.031 0.000 1.028 147 S CB 1.765 64.982 63.200 0.027 0.000 0.988 147 S HN -0.429 7.895 8.310 0.023 0.000 0.522 148 T N 1.551 116.136 114.554 0.051 0.000 2.906 148 T HA 0.351 4.745 4.350 0.074 0.000 0.302 148 T C -1.732 173.025 174.700 0.095 0.000 1.002 148 T CA -4.091 58.053 62.100 0.073 0.000 0.988 148 T CB 1.795 70.707 68.868 0.074 0.000 0.972 148 T HN 0.130 8.399 8.240 0.048 0.000 0.447 149 P HA -0.035 4.444 4.420 0.098 0.000 0.264 149 P C -0.028 177.408 177.300 0.226 0.000 1.183 149 P CA 0.109 63.290 63.100 0.136 0.000 0.763 149 P CB 0.973 32.736 31.700 0.106 0.000 0.807 150 V N 2.417 122.435 119.914 0.174 0.000 2.407 150 V HA -0.281 3.933 4.120 0.157 0.000 0.245 150 V C -0.153 176.133 176.094 0.320 0.000 1.041 150 V CA 2.336 64.746 62.300 0.182 0.000 1.040 150 V CB -0.093 31.787 31.823 0.095 0.000 0.671 150 V HN 0.300 8.566 8.190 0.126 0.000 0.455 151 N N -2.955 115.895 118.700 0.249 0.000 2.456 151 N HA 0.151 5.305 4.740 0.362 -0.197 0.296 151 N C -0.047 175.492 175.510 0.047 0.000 1.102 151 N CA -1.170 52.018 53.050 0.230 0.000 0.924 151 N CB 1.008 39.559 38.487 0.107 0.000 1.186 151 N HN -0.623 7.860 8.380 0.172 0.000 0.492 152 L N 2.629 123.762 121.223 -0.151 0.000 2.490 152 L HA -0.135 3.411 4.340 -1.324 0.000 0.274 152 L C -1.258 175.361 176.870 -0.418 0.000 1.201 152 L CA 0.869 55.275 54.840 -0.724 0.000 0.869 152 L CB 0.715 42.320 42.059 -0.758 0.000 1.123 152 L HN -0.073 8.184 8.230 0.046 0.000 0.484 153 L N 4.700 125.659 121.223 -0.440 0.000 2.313 153 L HA 0.772 5.140 4.340 -0.193 -0.144 0.268 153 L C -1.273 175.426 176.870 -0.286 0.000 1.010 153 L CA -1.567 53.117 54.840 -0.259 0.000 0.814 153 L CB 2.669 44.627 42.059 -0.168 0.000 1.304 153 L HN -0.073 7.814 8.230 -0.572 0.000 0.441 154 K N -2.451 117.850 120.400 -0.165 0.000 2.512 154 K HA 0.991 5.372 4.320 -0.182 -0.170 0.263 154 K C -2.395 174.176 176.600 -0.048 0.000 0.966 154 K CA -1.549 54.663 56.287 -0.124 0.000 0.851 154 K CB 4.552 37.028 32.500 -0.040 0.000 1.395 154 K HN 0.614 8.792 8.250 -0.121 0.000 0.440 155 V N 0.026 119.930 119.914 -0.017 0.000 3.012 155 V HA 0.364 4.488 4.120 0.007 0.000 0.307 155 V C -2.648 173.464 176.094 0.029 0.000 1.166 155 V CA -1.873 60.431 62.300 0.007 0.000 0.974 155 V CB 4.082 35.907 31.823 0.002 0.000 1.040 155 V HN 0.486 8.664 8.190 -0.019 0.000 0.428 156 T N 9.067 123.637 114.554 0.027 0.000 2.771 156 T HA 0.799 5.376 4.350 0.035 -0.206 0.281 156 T C -1.180 173.533 174.700 0.022 0.000 0.982 156 T CA -0.441 61.676 62.100 0.028 0.000 0.978 156 T CB 0.834 69.716 68.868 0.024 0.000 0.930 156 T HN 0.232 8.485 8.240 0.021 0.000 0.447 157 V N 1.015 120.941 119.914 0.020 0.000 3.007 157 V HA 0.756 4.890 4.120 0.022 0.000 0.311 157 V C -2.790 173.315 176.094 0.019 0.000 1.120 157 V CA -4.694 57.620 62.300 0.023 0.000 0.980 157 V CB 1.951 33.796 31.823 0.037 0.000 1.033 157 V HN 0.627 8.828 8.190 0.018 0.000 0.429 158 P HA 0.462 5.095 4.420 0.011 -0.206 0.278 158 P C -0.270 177.053 177.300 0.037 0.000 1.238 158 P CA -1.598 61.514 63.100 0.020 0.000 0.794 158 P CB 0.852 32.562 31.700 0.017 0.000 0.955 159 I N 1.868 122.459 120.570 0.035 0.000 2.710 159 I HA -0.151 4.227 4.170 0.122 -0.135 0.286 159 I C 0.351 176.510 176.117 0.069 0.000 1.181 159 I CA -0.137 61.206 61.300 0.072 0.000 1.430 159 I CB -1.092 36.924 38.000 0.027 0.000 1.367 159 I HN 0.103 8.322 8.210 0.015 0.000 0.577 160 V N 8.458 128.433 119.914 0.101 0.000 2.394 160 V HA 0.230 4.383 4.120 0.055 0.000 0.282 160 V C -0.718 175.426 176.094 0.085 0.000 1.031 160 V CA -1.530 60.816 62.300 0.078 0.000 0.881 160 V CB 0.860 32.730 31.823 0.078 0.000 0.982 160 V HN -0.046 8.116 8.190 0.141 0.113 0.451 161 S N 5.867 121.601 115.700 0.057 0.000 2.558 161 S HA -0.151 4.354 4.470 0.057 0.000 0.291 161 S C 1.047 175.690 174.600 0.071 0.000 1.306 161 S CA 0.089 58.322 58.200 0.055 0.000 1.056 161 S CB 1.056 64.277 63.200 0.035 0.000 0.836 161 S HN 0.359 8.695 8.310 0.044 0.000 0.504 162 R N 5.557 126.105 120.500 0.080 0.000 2.127 162 R HA -0.430 3.972 4.340 0.103 0.000 0.238 162 R C 1.462 177.807 176.300 0.075 0.000 1.134 162 R CA 4.142 60.296 56.100 0.089 0.000 0.975 162 R CB -0.244 30.111 30.300 0.092 0.000 0.865 162 R HN 0.723 9.038 8.270 0.076 0.000 0.447 163 A N -2.699 120.154 122.820 0.056 0.000 1.877 163 A HA -0.199 4.150 4.320 0.049 0.000 0.216 163 A C 2.158 179.766 177.584 0.041 0.000 1.186 163 A CA 3.051 55.115 52.037 0.045 0.000 0.620 163 A CB -0.945 18.074 19.000 0.031 0.000 0.822 163 A HN 0.207 8.377 8.150 0.051 0.010 0.443 164 T N 1.027 115.602 114.554 0.034 0.000 2.746 164 T HA -0.450 3.902 4.350 0.002 0.000 0.267 164 T C 1.630 176.350 174.700 0.032 0.000 1.039 164 T CA 4.888 66.998 62.100 0.017 0.000 1.142 164 T CB -0.106 68.767 68.868 0.009 0.000 0.866 164 T HN -0.644 7.617 8.240 0.035 0.000 0.444 165 c N 2.214 120.859 118.600 0.076 0.000 2.413 165 c HA -0.295 4.370 4.570 0.158 0.000 0.276 165 c C 2.159 176.363 174.090 0.190 0.000 1.248 165 c CA 2.870 59.287 56.329 0.147 0.000 1.742 165 c CB -1.802 40.793 42.510 0.141 0.000 2.017 165 c HN -0.148 8.127 8.230 0.075 0.000 0.481 166 R N -1.012 119.567 120.500 0.132 0.000 2.115 166 R HA -0.275 4.172 4.340 0.178 0.000 0.230 166 R C 2.507 178.861 176.300 0.091 0.000 1.111 166 R CA 3.070 59.248 56.100 0.131 0.000 0.976 166 R CB -0.269 30.088 30.300 0.094 0.000 0.870 166 R HN 0.100 8.433 8.270 0.106 0.000 0.445 167 A N -1.445 121.400 122.820 0.042 0.000 1.933 167 A HA -0.233 4.091 4.320 0.006 0.000 0.218 167 A C 1.518 179.069 177.584 -0.055 0.000 1.175 167 A CA 2.517 54.551 52.037 -0.005 0.000 0.628 167 A CB -0.595 18.389 19.000 -0.028 0.000 0.814 167 A HN -0.370 7.717 8.150 0.041 0.088 0.444 168 Q N -2.936 116.805 119.800 -0.097 0.000 2.096 168 Q HA -0.215 3.883 4.340 -0.403 0.000 0.197 168 Q C 1.639 177.496 176.000 -0.239 0.000 0.964 168 Q CA 2.533 58.141 55.803 -0.325 0.000 0.838 168 Q CB 0.671 29.114 28.738 -0.490 0.000 0.906 168 Q HN -0.517 7.608 8.270 -0.039 0.121 0.444 169 Y N -4.598 115.762 120.300 0.100 0.000 2.442 169 Y HA 0.032 4.745 4.550 0.271 0.000 0.250 169 Y C -0.378 175.616 175.900 0.156 0.000 1.113 169 Y CA 0.448 58.669 58.100 0.202 0.000 1.273 169 Y CB 1.257 39.874 38.460 0.261 0.000 1.138 169 Y HN -0.506 7.904 8.280 0.216 0.000 0.522 170 G N -0.452 108.482 108.800 0.224 0.000 2.788 170 G HA2 -0.243 3.788 3.960 0.111 0.000 0.686 170 G HA3 -0.243 3.809 3.960 0.153 0.000 0.686 170 G C -0.321 174.670 174.900 0.151 0.000 1.147 170 G CA -0.639 44.554 45.100 0.154 0.000 0.755 170 G HN -0.503 7.809 8.290 0.184 0.089 0.634 171 T N 3.012 117.626 114.554 0.100 0.000 2.788 171 T HA -0.332 4.076 4.350 0.096 0.000 0.268 171 T C 1.694 176.444 174.700 0.083 0.000 1.044 171 T CA 3.790 65.942 62.100 0.087 0.000 1.139 171 T CB -0.018 68.886 68.868 0.059 0.000 0.867 171 T HN 0.350 8.640 8.240 0.083 0.000 0.454 172 S N -0.279 115.464 115.700 0.071 0.000 2.447 172 S HA -0.216 4.276 4.470 0.038 0.000 0.233 172 S C 0.586 175.217 174.600 0.051 0.000 1.006 172 S CA 2.132 60.361 58.200 0.048 0.000 0.957 172 S CB -0.601 62.617 63.200 0.029 0.000 0.773 172 S HN 0.249 8.582 8.310 0.072 0.020 0.507 173 A N -2.129 120.753 122.820 0.103 0.000 2.132 173 A HA 0.116 4.449 4.320 0.022 0.000 0.213 173 A C -0.232 177.461 177.584 0.181 0.000 1.154 173 A CA 0.472 52.580 52.037 0.119 0.000 0.753 173 A CB 0.710 19.859 19.000 0.249 0.000 0.826 173 A HN -0.605 7.466 8.150 0.132 0.157 0.469 174 I N -1.247 119.424 120.570 0.169 0.000 2.406 174 I HA 0.352 4.648 4.170 0.210 0.000 0.290 174 I C -0.654 175.530 176.117 0.112 0.000 0.999 174 I CA -2.534 58.866 61.300 0.166 0.000 1.124 174 I CB 0.764 38.855 38.000 0.151 0.000 1.289 174 I HN -0.858 7.441 8.210 0.148 0.000 0.441 175 T N 4.377 118.994 114.554 0.104 0.000 2.938 175 T HA 0.417 4.807 4.350 0.067 0.000 0.285 175 T C 0.510 175.263 174.700 0.089 0.000 1.028 175 T CA -2.302 59.843 62.100 0.076 0.000 1.005 175 T CB 2.240 71.138 68.868 0.051 0.000 1.157 175 T HN -0.260 8.054 8.240 0.123 0.000 0.550 176 N N -1.118 117.628 118.700 0.076 0.000 2.461 176 N HA -0.109 4.693 4.740 0.104 0.000 0.188 176 N C 0.209 175.780 175.510 0.102 0.000 1.134 176 N CA 1.625 54.728 53.050 0.089 0.000 0.878 176 N CB 0.014 38.542 38.487 0.069 0.000 0.972 176 N HN 0.399 8.816 8.380 0.063 0.000 0.456 177 Q N -3.352 116.501 119.800 0.088 0.000 2.444 177 Q HA -0.025 4.374 4.340 0.099 0.000 0.206 177 Q C -0.679 175.399 176.000 0.129 0.000 0.948 177 Q CA 0.556 56.411 55.803 0.087 0.000 0.946 177 Q CB 0.075 28.825 28.738 0.020 0.000 1.027 177 Q HN -0.510 7.748 8.270 0.073 0.055 0.513 178 M N -1.912 117.777 119.600 0.149 0.000 2.662 178 M HA 0.844 5.586 4.480 0.112 -0.195 0.310 178 M C -1.556 174.880 176.300 0.227 0.000 1.204 178 M CA -0.897 54.487 55.300 0.139 0.000 0.891 178 M CB 4.718 37.389 32.600 0.117 0.000 1.732 178 M HN -0.730 7.562 8.290 0.139 0.081 0.467 179 F N -3.197 116.814 119.950 0.102 0.000 2.664 179 F HA 0.609 5.175 4.527 0.065 0.000 0.317 179 F C -2.979 172.893 175.800 0.120 0.000 1.108 179 F CA -1.744 56.308 58.000 0.086 0.000 0.957 179 F CB 2.617 41.658 39.000 0.067 0.000 1.365 179 F HN 0.402 8.595 8.300 -0.179 0.000 0.475 180 c N -1.610 117.129 118.600 0.231 0.000 2.614 180 c HA 1.049 5.837 4.570 0.055 -0.185 0.320 180 c C -1.069 173.166 174.090 0.241 0.000 1.200 180 c CA -1.668 54.745 56.329 0.139 0.000 1.700 180 c CB 3.418 45.978 42.510 0.084 0.000 2.275 180 c HN 0.652 9.105 8.230 0.372 0.000 0.492 181 A N 0.762 123.711 122.820 0.216 0.000 2.547 181 A HA 0.880 5.411 4.320 0.138 -0.128 0.297 181 A C -2.301 175.371 177.584 0.146 0.000 1.056 181 A CA -1.124 51.011 52.037 0.164 0.000 0.688 181 A CB 3.306 22.347 19.000 0.069 0.000 1.282 181 A HN 0.628 8.913 8.150 0.225 0.000 0.400 182 G N -0.708 108.148 108.800 0.092 0.000 2.337 182 G HA2 0.093 4.097 3.960 0.073 0.000 0.298 182 G HA3 0.093 4.099 3.960 0.075 0.000 0.298 182 G C -2.465 172.461 174.900 0.044 0.000 1.335 182 G CA 0.637 45.781 45.100 0.072 0.000 0.875 182 G HN -0.065 8.271 8.290 0.078 0.000 0.579 183 V N -4.116 115.817 119.914 0.033 0.000 2.581 183 V HA 0.501 4.631 4.120 0.017 0.000 0.303 183 V C 1.088 177.186 176.094 0.008 0.000 1.041 183 V CA -2.976 59.336 62.300 0.019 0.000 0.907 183 V CB 2.292 34.125 31.823 0.017 0.000 0.994 183 V HN 0.251 8.463 8.190 0.036 0.000 0.442 184 S N 4.626 120.326 115.700 -0.001 0.000 2.447 184 S HA -0.197 4.259 4.470 -0.023 0.000 0.233 184 S C 0.468 175.059 174.600 -0.015 0.000 1.006 184 S CA 2.459 60.650 58.200 -0.015 0.000 0.957 184 S CB -0.266 62.922 63.200 -0.019 0.000 0.773 184 S HN 0.455 8.766 8.310 0.001 0.000 0.507 185 S N -0.778 114.919 115.700 -0.006 0.000 2.605 185 S HA 0.099 4.564 4.470 -0.009 0.000 0.217 185 S C 0.586 175.188 174.600 0.003 0.000 0.958 185 S CA -0.360 57.838 58.200 -0.004 0.000 0.919 185 S CB -0.057 63.142 63.200 -0.002 0.000 0.780 185 S HN -0.404 7.882 8.310 -0.002 0.023 0.507 186 G N 1.037 109.842 108.800 0.008 0.000 2.760 186 G HA2 -0.273 3.701 3.960 0.024 0.000 0.246 186 G HA3 -0.273 3.758 3.960 0.020 -0.059 0.246 186 G C -0.428 174.483 174.900 0.017 0.000 1.359 186 G CA 0.029 45.140 45.100 0.018 0.000 0.861 186 G HN -0.464 7.632 8.290 0.006 0.197 0.541 187 G N -2.435 106.378 108.800 0.020 0.000 2.195 187 G HA2 -0.337 3.632 3.960 0.016 0.000 0.224 187 G HA3 -0.337 3.631 3.960 0.014 0.000 0.224 187 G C -1.690 173.220 174.900 0.017 0.000 0.990 187 G CA 0.134 45.244 45.100 0.016 0.000 0.639 187 G HN 0.032 8.224 8.290 0.024 0.113 0.514 188 K N -0.003 120.410 120.400 0.022 0.000 2.541 188 K HA 0.725 5.300 4.320 0.019 -0.243 0.250 188 K C -2.338 174.284 176.600 0.037 0.000 0.950 188 K CA -1.207 55.095 56.287 0.024 0.000 0.805 188 K CB 3.281 35.795 32.500 0.024 0.000 1.166 188 K HN -0.503 7.704 8.250 0.026 0.058 0.430 189 D N 2.258 122.680 120.400 0.037 0.000 2.755 189 D HA 0.283 4.974 4.640 0.085 0.000 0.277 189 D C -1.801 174.526 176.300 0.045 0.000 1.261 189 D CA -0.534 53.499 54.000 0.056 0.000 0.759 189 D CB 4.143 44.967 40.800 0.040 0.000 1.279 189 D HN 0.054 8.440 8.370 0.027 0.000 0.420 190 S N -0.754 114.983 115.700 0.061 0.000 2.617 190 S HA 0.282 4.864 4.470 0.019 -0.100 0.269 190 S C -1.172 173.419 174.600 -0.016 0.000 1.292 190 S CA -0.345 57.870 58.200 0.025 0.000 1.010 190 S CB 0.938 64.166 63.200 0.046 0.000 0.944 190 S HN 0.224 8.593 8.310 0.097 0.000 0.536 191 c N -0.744 117.844 118.600 -0.020 0.000 3.335 191 c HA 0.226 4.776 4.570 -0.033 0.000 0.356 191 c C -1.493 172.579 174.090 -0.029 0.000 1.570 191 c CA -0.662 55.652 56.329 -0.025 0.000 1.271 191 c CB 2.821 45.324 42.510 -0.012 0.000 1.873 191 c HN 0.366 8.925 8.230 -0.015 -0.338 0.439 192 Q N 2.440 122.221 119.800 -0.032 0.000 2.263 192 Q HA -0.174 4.125 4.340 -0.069 0.000 0.289 192 Q C 0.992 176.962 176.000 -0.050 0.000 1.061 192 Q CA 1.565 57.337 55.803 -0.052 0.000 0.927 192 Q CB 0.498 29.212 28.738 -0.041 0.000 1.154 192 Q HN 0.699 8.954 8.270 -0.025 0.000 0.378 193 G N 5.841 114.582 108.800 -0.098 0.000 2.194 193 G HA2 -0.417 3.673 3.960 -0.158 0.000 0.236 193 G HA3 -0.417 3.533 3.960 -0.017 0.000 0.236 193 G C -0.437 174.458 174.900 -0.009 0.000 0.987 193 G CA -0.012 45.043 45.100 -0.074 0.000 0.635 193 G HN 0.494 8.698 8.290 -0.143 0.000 0.520 197 G N 1.785 110.640 108.800 0.092 0.000 2.616 197 G HA2 0.386 4.498 3.960 0.142 0.000 0.268 197 G HA3 0.386 4.396 3.960 0.083 0.000 0.268 197 G C -2.682 172.311 174.900 0.155 0.000 1.213 197 G CA -1.557 43.612 45.100 0.117 0.000 0.926 197 G HN -0.526 7.807 8.290 0.072 0.000 0.523 198 P HA 0.279 5.028 4.420 0.307 -0.145 0.282 198 P C -1.931 175.508 177.300 0.231 0.000 1.249 198 P CA -0.990 62.281 63.100 0.285 0.000 0.806 198 P CB 1.736 33.750 31.700 0.522 0.000 0.984 199 I N 1.621 122.347 120.570 0.259 0.000 2.465 199 I HA 0.788 5.265 4.170 0.183 -0.197 0.291 199 I C -2.008 174.245 176.117 0.227 0.000 1.014 199 I CA -2.597 58.809 61.300 0.178 0.000 1.093 199 I CB 3.461 41.421 38.000 -0.067 0.000 1.267 199 I HN -0.231 8.145 8.210 0.277 0.000 0.431 200 V N 4.505 124.555 119.914 0.228 0.000 2.960 200 V HA 1.045 5.559 4.120 0.132 -0.315 0.315 200 V C -1.064 175.065 176.094 0.057 0.000 1.087 200 V CA -3.851 58.543 62.300 0.157 0.000 0.982 200 V CB 3.225 35.151 31.823 0.172 0.000 1.039 200 V HN 0.780 9.114 8.190 0.239 0.000 0.437 201 D N 0.727 121.130 120.400 0.004 0.000 2.478 201 D HA 0.352 4.972 4.640 -0.032 0.000 0.274 201 D C 1.594 177.879 176.300 -0.026 0.000 1.234 201 D CA -1.336 52.646 54.000 -0.029 0.000 1.069 201 D CB 1.181 41.947 40.800 -0.057 0.000 1.113 201 D HN -0.151 8.220 8.370 0.002 0.000 0.571 202 S N -1.859 113.821 115.700 -0.033 0.000 2.447 202 S HA -0.234 4.218 4.470 -0.031 0.000 0.233 202 S C 0.233 174.810 174.600 -0.039 0.000 1.006 202 S CA 2.371 60.551 58.200 -0.033 0.000 0.957 202 S CB -0.003 63.179 63.200 -0.030 0.000 0.773 202 S HN 0.197 8.484 8.310 -0.037 0.000 0.507 203 S N -0.192 115.483 115.700 -0.040 0.000 2.614 203 S HA 0.177 4.623 4.470 -0.040 0.000 0.230 203 S C -0.265 174.307 174.600 -0.045 0.000 0.952 203 S CA -0.142 58.034 58.200 -0.041 0.000 0.949 203 S CB 0.237 63.415 63.200 -0.038 0.000 0.786 203 S HN -0.724 7.712 8.310 -0.041 -0.151 0.478 204 N N -0.274 118.395 118.700 -0.051 0.000 2.708 204 N HA -0.344 4.456 4.740 -0.076 -0.106 0.251 204 N C -1.095 174.394 175.510 -0.035 0.000 1.123 204 N CA 2.035 55.046 53.050 -0.065 0.000 0.739 204 N CB -1.532 36.897 38.487 -0.096 0.000 1.113 204 N HN 0.176 8.268 8.380 -0.048 0.260 0.561 205 T N -0.484 114.048 114.554 -0.037 0.000 2.904 205 T HA -0.098 4.280 4.350 -0.078 -0.076 0.290 205 T C -1.284 173.400 174.700 -0.028 0.000 1.018 205 T CA 1.263 63.332 62.100 -0.052 0.000 1.075 205 T CB 1.445 70.282 68.868 -0.052 0.000 0.986 205 T HN -0.448 7.929 8.240 -0.038 -0.161 0.523 206 L N 4.854 126.037 121.223 -0.067 0.000 2.325 206 L HA 0.108 4.492 4.340 0.074 0.000 0.284 206 L C -0.845 176.042 176.870 0.029 0.000 1.089 206 L CA -0.224 54.610 54.840 -0.010 0.000 0.836 206 L CB 0.412 42.400 42.059 -0.118 0.000 1.184 206 L HN 0.300 8.455 8.230 -0.125 0.000 0.444 207 I N -0.479 120.136 120.570 0.075 0.000 3.854 207 I HA 0.388 4.567 4.170 0.015 0.000 0.312 207 I C -0.603 175.664 176.117 0.251 0.000 1.273 207 I CA -0.420 60.911 61.300 0.052 0.000 1.298 207 I CB 0.922 38.851 38.000 -0.118 0.000 1.071 207 I HN 0.098 8.372 8.210 0.106 0.000 0.428 208 G N -2.120 106.883 108.800 0.338 0.000 2.550 208 G HA2 0.316 4.656 3.960 0.406 0.000 0.293 208 G HA3 0.316 4.619 3.960 0.579 0.004 0.293 208 G C -3.285 171.800 174.900 0.309 0.000 1.402 208 G CA 0.150 45.507 45.100 0.427 0.000 0.784 208 G HN -0.669 7.783 8.290 0.270 0.000 0.482 209 A N -1.659 121.329 122.820 0.280 0.000 2.355 209 A HA 0.982 5.652 4.320 0.248 -0.202 0.317 209 A C -0.921 176.809 177.584 0.244 0.000 1.094 209 A CA -2.706 49.474 52.037 0.238 0.000 0.764 209 A CB 3.461 22.561 19.000 0.166 0.000 1.230 209 A HN -0.133 8.178 8.150 0.268 0.000 0.448 210 V N 1.919 121.965 119.914 0.221 0.000 2.557 210 V HA -0.293 3.711 4.120 -0.193 0.000 0.301 210 V C -0.396 175.697 176.094 -0.002 0.000 1.026 210 V CA 1.955 64.265 62.300 0.016 0.000 1.137 210 V CB -1.411 30.439 31.823 0.046 0.000 0.917 210 V HN 0.132 8.457 8.190 0.225 0.000 0.484 211 S N 8.126 123.723 115.700 -0.172 0.000 3.393 211 S HA 0.268 4.953 4.470 0.359 0.000 0.209 211 S C -1.309 173.315 174.600 0.039 0.000 0.897 211 S CA 0.039 58.295 58.200 0.093 0.000 0.825 211 S CB 2.002 65.275 63.200 0.122 0.000 0.898 211 S HN 0.069 8.081 8.310 -0.495 0.000 0.615 212 W N -3.328 117.766 121.300 -0.344 0.000 2.937 212 W HA 0.299 4.768 4.660 -0.319 0.000 0.360 212 W C -3.163 173.175 176.519 -0.302 0.000 1.215 212 W CA -0.825 56.323 57.345 -0.328 0.000 1.183 212 W CB 1.697 30.964 29.460 -0.321 0.000 1.458 212 W HN -0.121 7.806 8.180 -0.421 0.000 0.574 213 G N -2.828 105.910 108.800 -0.103 0.000 2.489 213 G HA2 -0.071 3.518 3.960 -0.619 0.000 0.291 213 G HA3 -0.071 3.763 3.960 -0.210 0.000 0.291 213 G C -2.174 172.811 174.900 0.141 0.000 1.487 213 G CA 0.170 45.139 45.100 -0.218 0.000 0.795 213 G HN -0.013 8.383 8.290 0.176 0.000 0.513 214 N N 2.524 121.366 118.700 0.238 0.000 2.402 214 N HA -0.092 4.673 4.740 0.043 0.000 0.259 214 N C 0.676 176.148 175.510 -0.064 0.000 1.167 214 N CA -0.162 52.905 53.050 0.028 0.000 0.949 214 N CB -0.873 37.399 38.487 -0.359 0.000 1.212 214 N HN -0.134 8.508 8.380 0.437 0.000 0.493 215 G N 2.803 111.578 108.800 -0.041 0.000 2.601 215 G HA2 -0.421 3.522 3.960 -0.028 0.000 0.261 215 G HA3 -0.421 3.634 3.960 -0.046 -0.123 0.261 215 G C -1.735 173.158 174.900 -0.012 0.000 1.289 215 G CA 0.036 45.116 45.100 -0.033 0.000 0.920 215 G HN -0.084 8.192 8.290 -0.025 0.000 0.571 216 c N 1.370 119.968 118.600 -0.003 0.000 2.481 216 c HA 0.187 4.876 4.570 -0.001 -0.120 0.324 216 c C -0.303 173.799 174.090 0.019 0.000 1.170 216 c CA -0.863 55.468 56.329 0.003 0.000 1.361 216 c CB 0.977 43.485 42.510 -0.004 0.000 1.977 216 c HN -0.311 8.197 8.230 -0.004 -0.280 0.459 217 A N 2.200 125.038 122.820 0.030 0.000 2.887 217 A HA -0.436 3.908 4.320 0.039 0.000 0.257 217 A C -0.950 176.661 177.584 0.044 0.000 1.372 217 A CA 1.052 53.110 52.037 0.035 0.000 0.879 217 A CB -0.716 18.298 19.000 0.024 0.000 1.082 217 A HN 0.931 9.473 8.150 0.031 -0.374 0.703 218 R N -1.902 118.639 120.500 0.068 0.000 2.490 218 R HA 0.113 4.494 4.340 0.069 0.000 0.280 218 R C -2.013 174.337 176.300 0.082 0.000 1.077 218 R CA -2.479 53.677 56.100 0.094 0.000 1.065 218 R CB 0.160 30.558 30.300 0.164 0.000 1.003 218 R HN -0.123 8.143 8.270 0.073 0.048 0.470 219 P HA -0.151 4.337 4.420 -0.002 -0.070 0.267 219 P C -0.488 176.779 177.300 -0.056 0.000 1.200 219 P CA 0.315 63.415 63.100 0.001 0.000 0.772 219 P CB 0.254 31.950 31.700 -0.006 0.000 0.855 220 N N -5.630 112.997 118.700 -0.121 0.000 2.778 220 N HA -0.429 4.153 4.740 -0.262 0.000 0.249 220 N C -1.589 173.563 175.510 -0.596 0.000 1.069 220 N CA 2.028 54.893 53.050 -0.309 0.000 0.831 220 N CB -1.389 36.883 38.487 -0.358 0.000 1.142 220 N HN 0.537 8.865 8.380 -0.086 0.000 0.573 221 Y N -1.579 118.639 120.300 -0.137 0.000 2.488 221 Y HA -0.010 4.300 4.550 -0.401 0.000 0.330 221 Y C -1.267 174.620 175.900 -0.021 0.000 1.013 221 Y CA -1.043 56.929 58.100 -0.213 0.000 1.304 221 Y CB 0.525 38.856 38.460 -0.216 0.000 1.098 221 Y HN -0.755 7.447 8.280 -0.016 0.068 0.498 222 S N 3.443 119.239 115.700 0.159 0.000 2.579 222 S HA -0.104 4.421 4.470 0.092 0.000 0.275 222 S C 0.354 175.000 174.600 0.077 0.000 1.345 222 S CA 1.156 59.433 58.200 0.129 0.000 1.031 222 S CB 0.686 63.960 63.200 0.123 0.000 0.892 222 S HN -0.265 8.405 8.310 0.125 -0.285 0.529 223 G N 0.454 109.262 108.800 0.013 0.000 2.441 223 G HA2 0.107 3.895 3.960 -0.286 0.000 0.243 223 G HA3 0.107 4.107 3.960 -0.131 -0.119 0.243 223 G C -1.793 172.874 174.900 -0.389 0.000 1.281 223 G CA -0.091 44.891 45.100 -0.197 0.000 0.854 223 G HN -0.099 8.235 8.290 0.073 0.000 0.560 224 V N 2.587 121.980 119.914 -0.868 0.000 2.513 224 V HA 0.584 4.488 4.120 -0.607 -0.149 0.299 224 V C -0.873 174.588 176.094 -1.054 0.000 1.035 224 V CA -2.274 59.457 62.300 -0.949 0.000 0.889 224 V CB 1.897 32.774 31.823 -1.578 0.000 0.988 224 V HN 0.186 7.815 8.190 -0.935 0.000 0.440 225 Y N 3.803 123.741 120.300 -0.603 0.000 2.462 225 Y HA 0.379 4.854 4.550 -0.335 -0.126 0.346 225 Y C -1.329 174.343 175.900 -0.380 0.000 0.976 225 Y CA -2.019 55.735 58.100 -0.577 0.000 1.044 225 Y CB 4.223 42.003 38.460 -1.132 0.000 1.230 225 Y HN 0.616 8.580 8.280 -0.527 0.000 0.455 226 A N 2.557 125.387 122.820 0.016 0.000 2.450 226 A HA 0.250 4.761 4.320 0.107 -0.126 0.255 226 A C -1.045 176.677 177.584 0.230 0.000 1.096 226 A CA -0.832 51.275 52.037 0.117 0.000 0.778 226 A CB 0.540 19.618 19.000 0.131 0.000 1.031 226 A HN 0.501 8.677 8.150 0.043 0.000 0.494 227 S N 3.930 119.806 115.700 0.292 0.000 2.416 227 S HA 0.166 5.022 4.470 0.644 0.000 0.287 227 S C 0.864 175.618 174.600 0.257 0.000 1.139 227 S CA -1.910 56.539 58.200 0.414 0.000 1.058 227 S CB 0.548 63.973 63.200 0.375 0.000 0.967 227 S HN -0.117 8.329 8.310 0.226 0.000 0.495 228 V N 8.162 128.220 119.914 0.241 0.000 2.343 228 V HA -0.362 3.864 4.120 0.176 0.000 0.247 228 V C 1.943 178.107 176.094 0.117 0.000 1.051 228 V CA 3.348 65.746 62.300 0.163 0.000 1.036 228 V CB -0.389 31.510 31.823 0.127 0.000 0.654 228 V HN 0.349 8.717 8.190 0.296 0.000 0.451 229 G N -1.390 107.459 108.800 0.081 0.000 2.450 229 G HA2 -0.309 3.787 3.960 0.036 0.000 0.220 229 G HA3 -0.309 3.859 3.960 0.019 -0.196 0.220 229 G C -0.161 174.782 174.900 0.070 0.000 1.130 229 G CA 2.152 47.280 45.100 0.047 0.000 0.760 229 G HN 0.226 8.562 8.290 0.076 0.000 0.557 230 A N -0.945 121.934 122.820 0.099 0.000 2.072 230 A HA 0.023 4.393 4.320 0.083 0.000 0.216 230 A C 0.175 177.834 177.584 0.124 0.000 1.156 230 A CA 1.244 53.342 52.037 0.101 0.000 0.701 230 A CB 0.261 19.326 19.000 0.107 0.000 0.816 230 A HN -0.680 7.512 8.150 0.117 0.028 0.458 231 L N -3.480 117.836 121.223 0.156 0.000 3.066 231 L HA 0.292 4.778 4.340 0.244 0.000 0.265 231 L C 0.238 177.253 176.870 0.242 0.000 1.232 231 L CA -1.347 53.632 54.840 0.231 0.000 1.031 231 L CB 0.003 42.212 42.059 0.249 0.000 1.379 231 L HN -0.726 7.431 8.230 0.150 0.163 0.563 232 R N -0.191 120.400 120.500 0.152 0.000 2.127 232 R HA -0.340 4.063 4.340 0.103 0.000 0.238 232 R C 1.695 178.055 176.300 0.101 0.000 1.134 232 R CA 2.841 59.004 56.100 0.105 0.000 0.975 232 R CB -0.647 29.687 30.300 0.058 0.000 0.865 232 R HN -0.087 8.201 8.270 0.129 0.060 0.447 233 S N -1.176 114.603 115.700 0.132 0.000 2.368 233 S HA -0.298 4.198 4.470 0.042 0.000 0.224 233 S C 1.374 176.044 174.600 0.117 0.000 1.029 233 S CA 3.393 61.651 58.200 0.098 0.000 0.988 233 S CB -0.352 62.912 63.200 0.106 0.000 0.838 233 S HN 0.088 8.456 8.310 0.152 0.033 0.462 234 F N 3.028 123.032 119.950 0.091 0.000 2.075 234 F HA -0.295 4.290 4.527 0.097 0.000 0.297 234 F C 0.857 176.742 175.800 0.141 0.000 1.113 234 F CA 2.951 61.024 58.000 0.121 0.000 1.218 234 F CB 0.071 39.166 39.000 0.158 0.000 0.984 234 F HN -0.927 7.616 8.300 0.404 0.000 0.472 235 I N -1.354 119.200 120.570 -0.026 0.000 2.179 235 I HA -0.693 3.264 4.170 -0.356 0.000 0.242 235 I C 1.690 177.703 176.117 -0.174 0.000 1.088 235 I CA 4.343 65.544 61.300 -0.165 0.000 1.357 235 I CB -0.359 37.651 38.000 0.017 0.000 1.051 235 I HN -0.590 7.739 8.210 0.198 0.000 0.409 236 D N -0.428 119.906 120.400 -0.110 0.000 2.149 236 D HA -0.263 4.312 4.640 -0.108 0.000 0.198 236 D C 2.451 178.627 176.300 -0.207 0.000 0.990 236 D CA 3.129 57.055 54.000 -0.124 0.000 0.839 236 D CB -0.527 40.225 40.800 -0.080 0.000 0.948 236 D HN 0.071 8.407 8.370 -0.058 0.000 0.460 237 T N -0.601 113.764 114.554 -0.315 0.000 2.833 237 T HA -0.193 3.912 4.350 -0.408 0.000 0.269 237 T C 0.874 175.154 174.700 -0.699 0.000 1.054 237 T CA 2.908 64.677 62.100 -0.551 0.000 1.135 237 T CB 0.134 68.535 68.868 -0.778 0.000 0.869 237 T HN -0.463 7.584 8.240 -0.278 0.027 0.466 238 Y N -2.972 117.173 120.300 -0.259 0.000 2.445 238 Y HA 0.107 4.556 4.550 -0.168 0.000 0.247 238 Y C -0.705 175.074 175.900 -0.202 0.000 1.129 238 Y CA -1.215 56.741 58.100 -0.239 0.000 1.251 238 Y CB 0.356 38.609 38.460 -0.346 0.000 1.176 238 Y HN -0.750 7.277 8.280 -0.385 0.022 0.522 239 A N 0.000 122.758 122.820 -0.104 0.000 2.254 239 A HA 0.000 4.268 4.320 -0.086 0.000 0.244 239 A CA 0.000 51.980 52.037 -0.096 0.000 0.836 239 A CB 0.000 18.935 19.000 -0.108 0.000 0.831 239 A HN 0.000 8.057 8.150 -0.154 0.000 0.486