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 3cn7_1_A DATA FIRST_RESID 2 DATA SEQUENCE SEPLILDAPN ADACIIWLHG LGADRTDFKP VAEALQMVLP STRFILPQAP DATA SEQUENCE SQAVTVNGGW VMPSWYDILA FSPARAIDED QLNASADQVI ALIDEQRAKG DATA SEQUENCE IAAERIILAG FSQGGAVVLH TAFRRYAQPL GGVLALSTYA PTFDDLALDE DATA SEQUENCE RHKRIPVLHL HGSQDDVVDP ALGRAAHDAL QAQGVEVGWH DYPMGHEVSL DATA SEQUENCE EEIHDIGAWL RKRL 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 2 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 2 S C 0.000 174.632 174.600 0.053 0.000 1.055 2 S CA 0.000 58.219 58.200 0.032 0.000 1.107 2 S CB 0.000 63.214 63.200 0.024 0.000 0.593 3 E N 1.691 121.923 120.200 0.053 0.000 2.248 3 E HA 0.526 4.858 4.350 -0.031 0.000 0.272 3 E C -2.627 174.023 176.600 0.084 0.000 1.008 3 E CA -2.027 54.411 56.400 0.065 0.000 0.856 3 E CB 0.923 30.653 29.700 0.050 0.000 1.120 3 E HN 0.345 8.705 8.360 -0.000 0.000 0.397 4 P HA 0.035 4.455 4.420 -0.000 0.000 0.267 4 P C -0.406 176.956 177.300 0.102 0.000 1.205 4 P CA -0.425 62.748 63.100 0.121 0.000 0.765 4 P CB 0.276 32.044 31.700 0.114 0.000 0.828 5 L N 5.287 126.578 121.223 0.114 0.000 2.349 5 L HA 0.414 4.735 4.340 -0.031 0.000 0.275 5 L C -0.784 176.147 176.870 0.103 0.000 1.115 5 L CA 0.088 54.982 54.840 0.091 0.000 0.820 5 L CB -0.176 41.934 42.059 0.085 0.000 1.135 5 L HN 0.265 8.495 8.230 -0.000 0.000 0.445 6 I N 5.500 126.120 120.570 0.084 0.000 2.569 6 I HA 0.342 4.493 4.170 -0.031 0.000 0.296 6 I C -0.812 175.359 176.117 0.090 0.000 1.028 6 I CA -0.654 60.704 61.300 0.097 0.000 1.082 6 I CB 2.021 40.069 38.000 0.080 0.000 1.264 6 I HN 0.480 8.690 8.210 -0.000 0.000 0.429 7 L N 4.715 126.013 121.223 0.126 0.000 2.408 7 L HA 0.358 4.679 4.340 -0.031 0.000 0.257 7 L C -0.411 176.538 176.870 0.132 0.000 1.053 7 L CA -0.475 54.429 54.840 0.107 0.000 0.922 7 L CB 0.778 42.893 42.059 0.094 0.000 1.261 7 L HN 0.559 8.789 8.230 -0.000 0.000 0.458 8 D N 2.199 122.652 120.400 0.089 0.000 2.363 8 D HA 0.508 5.129 4.640 -0.031 0.000 0.240 8 D C -0.312 176.037 176.300 0.082 0.000 1.236 8 D CA 0.212 54.261 54.000 0.082 0.000 0.927 8 D CB 1.884 42.716 40.800 0.055 0.000 1.150 8 D HN 0.526 8.896 8.370 -0.000 0.000 0.458 9 A N 1.946 124.811 122.820 0.075 0.000 2.427 9 A HA 0.513 4.814 4.320 -0.031 0.000 0.298 9 A C -2.612 175.000 177.584 0.046 0.000 1.036 9 A CA -1.258 50.819 52.037 0.068 0.000 0.701 9 A CB 1.730 20.787 19.000 0.095 0.000 1.250 9 A HN 0.399 8.549 8.150 -0.000 0.000 0.412 10 P HA -0.044 4.376 4.420 -0.000 0.000 0.263 10 P C -0.445 176.870 177.300 0.025 0.000 1.175 10 P CA 0.343 63.458 63.100 0.026 0.000 0.761 10 P CB 0.230 31.943 31.700 0.021 0.000 0.794 11 N N -0.732 117.979 118.700 0.020 0.000 2.669 11 N HA -0.192 4.529 4.740 -0.031 0.000 0.266 11 N C 0.211 175.732 175.510 0.019 0.000 1.024 11 N CA 0.991 54.050 53.050 0.016 0.000 0.766 11 N CB -1.129 37.366 38.487 0.013 0.000 0.898 11 N HN 0.653 9.033 8.380 -0.000 0.000 0.548 12 A N 1.201 124.033 122.820 0.021 0.000 2.462 12 A HA 0.231 4.532 4.320 -0.031 0.000 0.243 12 A C 1.184 178.774 177.584 0.010 0.000 1.076 12 A CA 0.340 52.389 52.037 0.021 0.000 0.773 12 A CB 0.370 19.384 19.000 0.023 0.000 1.010 12 A HN 0.505 8.655 8.150 -0.000 0.000 0.493 13 D N -0.330 120.073 120.400 0.005 0.000 2.530 13 D HA 0.442 5.063 4.640 -0.031 0.000 0.253 13 D C -0.143 176.148 176.300 -0.015 0.000 1.338 13 D CA 0.753 54.750 54.000 -0.004 0.000 0.806 13 D CB -0.112 40.687 40.800 -0.002 0.000 1.160 13 D HN 0.826 9.196 8.370 -0.000 0.000 0.514 14 A N -0.537 122.270 122.820 -0.021 0.000 2.610 14 A HA 0.657 4.958 4.320 -0.031 0.000 0.291 14 A C -1.773 175.767 177.584 -0.073 0.000 1.086 14 A CA -0.613 51.396 52.037 -0.046 0.000 0.677 14 A CB 1.796 20.770 19.000 -0.044 0.000 1.278 14 A HN 0.284 8.434 8.150 -0.000 0.000 0.414 15 C N 0.909 120.137 119.300 -0.120 0.000 2.880 15 C HA 0.761 5.202 4.460 -0.031 0.000 0.320 15 C C -1.534 173.299 174.990 -0.261 0.000 1.176 15 C CA -0.409 58.505 59.018 -0.175 0.000 1.390 15 C CB 0.389 28.065 27.740 -0.108 0.000 1.846 15 C HN 0.706 8.936 8.230 -0.000 0.000 0.478 16 I N 5.873 126.181 120.570 -0.438 0.000 2.410 16 I HA 0.428 4.579 4.170 -0.031 0.000 0.286 16 I C -0.567 175.412 176.117 -0.231 0.000 1.009 16 I CA -0.331 60.709 61.300 -0.434 0.000 1.111 16 I CB 1.471 38.976 38.000 -0.824 0.000 1.262 16 I HN 0.503 8.713 8.210 -0.000 0.000 0.443 17 I N 6.128 126.625 120.570 -0.122 0.000 2.306 17 I HA 0.208 4.359 4.170 -0.031 0.000 0.288 17 I C -0.649 175.476 176.117 0.012 0.000 1.036 17 I CA -0.271 61.011 61.300 -0.029 0.000 1.221 17 I CB 0.796 38.741 38.000 -0.091 0.000 1.385 17 I HN 0.499 8.709 8.210 -0.000 0.000 0.472 18 W N 7.987 129.258 121.300 -0.048 0.000 2.429 18 W HA 0.504 5.147 4.660 -0.028 0.000 0.314 18 W C -1.580 174.910 176.519 -0.049 0.000 1.062 18 W CA -0.782 56.517 57.345 -0.077 0.000 1.211 18 W CB 1.636 31.084 29.460 -0.020 0.000 1.305 18 W HN 0.201 8.381 8.180 -0.000 0.000 0.476 19 L N 4.966 126.246 121.223 0.095 0.000 2.334 19 L HA 0.276 4.597 4.340 -0.031 0.000 0.276 19 L C 0.600 177.651 176.870 0.300 0.000 1.014 19 L CA -0.669 54.221 54.840 0.083 0.000 0.815 19 L CB 1.301 43.089 42.059 -0.451 0.000 1.268 19 L HN 0.483 8.713 8.230 -0.000 0.000 0.428 20 H N -0.074 119.370 119.070 0.624 0.000 2.408 20 H HA 0.747 5.285 4.556 -0.030 0.000 0.345 20 H C 0.485 176.236 175.328 0.705 0.000 1.547 20 H CA -0.517 55.942 56.048 0.686 0.000 1.447 20 H CB 0.063 30.156 29.762 0.552 0.000 1.686 20 H HN 0.604 8.884 8.280 -0.000 0.000 0.625 21 G N -0.666 108.668 108.800 0.889 0.000 2.563 21 G HA2 0.304 4.245 3.960 -0.031 0.000 0.283 21 G HA3 0.304 4.245 3.960 -0.031 0.000 0.283 21 G C -0.711 174.547 174.900 0.596 0.000 1.309 21 G CA -0.757 44.780 45.100 0.729 0.000 1.022 21 G HN 0.676 8.966 8.290 -0.000 0.000 0.501 22 L N 0.627 122.085 121.223 0.391 0.000 2.499 22 L HA 0.454 4.775 4.340 -0.031 0.000 0.273 22 L C 1.248 178.247 176.870 0.215 0.000 1.195 22 L CA 1.259 56.235 54.840 0.227 0.000 0.882 22 L CB 0.198 42.337 42.059 0.134 0.000 1.133 22 L HN 1.427 9.657 8.230 -0.000 0.000 0.483 23 G N 3.925 112.808 108.800 0.139 0.000 2.367 23 G HA2 0.159 4.100 3.960 -0.031 0.000 0.295 23 G HA3 0.159 4.100 3.960 -0.031 0.000 0.295 23 G C -0.058 174.874 174.900 0.053 0.000 1.019 23 G CA 0.355 45.506 45.100 0.085 0.000 1.224 23 G HN 1.373 9.663 8.290 -0.000 0.000 0.510 24 A N -0.034 122.743 122.820 -0.072 0.000 2.566 24 A HA 0.798 5.099 4.320 -0.031 0.000 0.292 24 A C -0.566 176.707 177.584 -0.518 0.000 1.112 24 A CA -0.137 51.784 52.037 -0.193 0.000 0.707 24 A CB 1.495 20.497 19.000 0.004 0.000 1.302 24 A HN 0.552 8.702 8.150 -0.000 0.000 0.409 25 D N -0.221 119.999 120.400 -0.300 0.000 2.210 25 D HA 0.362 4.983 4.640 -0.031 0.000 0.249 25 D C 1.631 177.832 176.300 -0.165 0.000 1.078 25 D CA -0.336 53.521 54.000 -0.238 0.000 0.875 25 D CB 1.046 41.774 40.800 -0.120 0.000 1.175 25 D HN 0.511 8.881 8.370 -0.000 0.000 0.440 26 R N 1.194 121.659 120.500 -0.058 0.000 2.226 26 R HA -0.191 4.131 4.340 -0.031 0.000 0.246 26 R C 1.236 177.602 176.300 0.109 0.000 1.161 26 R CA 1.811 57.998 56.100 0.145 0.000 0.997 26 R CB -1.213 29.183 30.300 0.159 0.000 0.870 26 R HN 0.491 8.761 8.270 -0.000 0.000 0.465 27 T N -2.500 112.065 114.554 0.018 0.000 3.118 27 T HA -0.046 4.285 4.350 -0.031 0.000 0.260 27 T C 1.133 175.794 174.700 -0.066 0.000 1.139 27 T CA 0.918 63.008 62.100 -0.017 0.000 1.085 27 T CB 0.018 68.860 68.868 -0.043 0.000 0.934 27 T HN 0.147 8.387 8.240 -0.000 0.000 0.518 28 D N 0.862 121.225 120.400 -0.062 0.000 2.149 28 D HA -0.045 4.576 4.640 -0.031 0.000 0.198 28 D C 0.715 176.757 176.300 -0.429 0.000 0.990 28 D CA 0.940 54.816 54.000 -0.206 0.000 0.839 28 D CB -0.299 40.414 40.800 -0.146 0.000 0.948 28 D HN 0.542 8.912 8.370 -0.000 0.000 0.460 29 F N -0.191 119.660 119.950 -0.165 0.000 2.641 29 F HA 0.269 4.778 4.527 -0.030 0.000 0.302 29 F C 1.848 177.441 175.800 -0.345 0.000 1.098 29 F CA -0.273 57.518 58.000 -0.350 0.000 1.318 29 F CB 0.217 38.843 39.000 -0.624 0.000 1.035 29 F HN -0.200 8.100 8.300 -0.000 0.000 0.551 30 K N 1.390 121.713 120.400 -0.127 0.000 2.044 30 K HA -0.166 4.135 4.320 -0.031 0.000 0.210 30 K C -0.871 175.617 176.600 -0.188 0.000 1.049 30 K CA 1.851 58.060 56.287 -0.129 0.000 0.927 30 K CB -0.944 31.502 32.500 -0.090 0.000 0.713 30 K HN 0.089 8.339 8.250 -0.000 0.000 0.443 31 P HA -0.145 4.275 4.420 -0.000 0.000 0.216 31 P C 1.261 178.429 177.300 -0.220 0.000 1.150 31 P CA 1.020 64.005 63.100 -0.192 0.000 0.837 31 P CB 0.125 31.709 31.700 -0.192 0.000 0.786 32 V N -0.082 119.674 119.914 -0.262 0.000 2.379 32 V HA -0.208 3.893 4.120 -0.031 0.000 0.245 32 V C 2.425 178.282 176.094 -0.396 0.000 1.044 32 V CA 2.070 64.204 62.300 -0.277 0.000 1.036 32 V CB -1.678 29.990 31.823 -0.258 0.000 0.664 32 V HN 0.087 8.277 8.190 -0.000 0.000 0.453 33 A N 0.070 122.597 122.820 -0.489 0.000 1.851 33 A HA -0.292 4.010 4.320 -0.031 0.000 0.216 33 A C 2.143 179.279 177.584 -0.747 0.000 1.195 33 A CA 2.148 53.705 52.037 -0.800 0.000 0.622 33 A CB -0.658 18.043 19.000 -0.498 0.000 0.831 33 A HN 0.611 8.761 8.150 -0.000 0.000 0.444 34 E N -0.372 119.581 120.200 -0.411 0.000 2.130 34 E HA -0.192 4.139 4.350 -0.031 0.000 0.196 34 E C 2.263 178.720 176.600 -0.238 0.000 0.998 34 E CA 1.096 57.330 56.400 -0.277 0.000 0.806 34 E CB -0.313 29.282 29.700 -0.175 0.000 0.738 34 E HN 0.648 9.008 8.360 -0.000 0.000 0.459 35 A N 1.150 123.834 122.820 -0.228 0.000 1.840 35 A HA -0.103 4.198 4.320 -0.031 0.000 0.214 35 A C 2.187 179.687 177.584 -0.139 0.000 1.198 35 A CA 0.832 52.779 52.037 -0.149 0.000 0.608 35 A CB -0.656 18.276 19.000 -0.113 0.000 0.839 35 A HN 0.129 8.279 8.150 -0.000 0.000 0.443 36 L N -0.581 120.531 121.223 -0.185 0.000 2.187 36 L HA -0.246 4.075 4.340 -0.031 0.000 0.213 36 L C 2.794 179.639 176.870 -0.042 0.000 1.100 36 L CA 1.612 56.413 54.840 -0.065 0.000 0.765 36 L CB -0.404 41.678 42.059 0.039 0.000 0.904 36 L HN 0.601 8.831 8.230 -0.000 0.000 0.437 37 Q N -0.099 119.567 119.800 -0.224 0.000 2.224 37 Q HA -0.187 4.134 4.340 -0.031 0.000 0.203 37 Q C 2.299 178.300 176.000 0.002 0.000 0.970 37 Q CA 1.210 56.976 55.803 -0.062 0.000 0.865 37 Q CB 0.093 28.738 28.738 -0.155 0.000 0.922 37 Q HN 0.521 8.791 8.270 -0.000 0.000 0.445 38 M N -0.623 118.956 119.600 -0.035 0.000 2.254 38 M HA -0.096 4.365 4.480 -0.031 0.000 0.265 38 M C 2.200 178.504 176.300 0.007 0.000 1.066 38 M CA 1.071 56.361 55.300 -0.017 0.000 1.123 38 M CB -0.149 32.429 32.600 -0.037 0.000 1.388 38 M HN 0.270 8.560 8.290 -0.000 0.000 0.425 39 V N -0.099 119.828 119.914 0.022 0.000 3.052 39 V HA 0.099 4.200 4.120 -0.031 0.000 0.254 39 V C 0.799 176.932 176.094 0.066 0.000 1.100 39 V CA 0.792 63.114 62.300 0.037 0.000 1.112 39 V CB 0.064 31.912 31.823 0.042 0.000 0.738 39 V HN 0.383 8.573 8.190 -0.000 0.000 0.469 40 L N 2.362 123.646 121.223 0.101 0.000 2.457 40 L HA 0.450 4.771 4.340 -0.031 0.000 0.252 40 L C -1.898 175.053 176.870 0.134 0.000 1.132 40 L CA -1.123 53.796 54.840 0.132 0.000 0.938 40 L CB 1.736 43.922 42.059 0.212 0.000 1.246 40 L HN 0.102 8.332 8.230 -0.000 0.000 0.476 41 P HA -0.044 4.376 4.420 -0.000 0.000 0.241 41 P C 0.940 178.283 177.300 0.072 0.000 1.191 41 P CA 0.561 63.703 63.100 0.069 0.000 0.771 41 P CB 0.455 32.179 31.700 0.039 0.000 0.929 42 S N -2.613 113.131 115.700 0.072 0.000 2.539 42 S HA 0.151 4.602 4.470 -0.031 0.000 0.221 42 S C 0.608 175.246 174.600 0.064 0.000 0.987 42 S CA -0.255 57.978 58.200 0.056 0.000 0.929 42 S CB -0.735 62.486 63.200 0.035 0.000 0.832 42 S HN -0.088 8.222 8.310 -0.000 0.000 0.492 43 T N 3.148 117.768 114.554 0.109 0.000 2.767 43 T HA 0.417 4.748 4.350 -0.031 0.000 0.284 43 T C -0.270 174.531 174.700 0.168 0.000 0.973 43 T CA -0.616 61.540 62.100 0.094 0.000 0.996 43 T CB 1.466 70.396 68.868 0.103 0.000 0.927 43 T HN 0.398 8.638 8.240 -0.000 0.000 0.456 44 R N 2.338 122.873 120.500 0.059 0.000 2.531 44 R HA 0.473 4.794 4.340 -0.031 0.000 0.273 44 R C -1.348 174.963 176.300 0.019 0.000 1.070 44 R CA -0.333 55.833 56.100 0.110 0.000 1.112 44 R CB 0.435 30.761 30.300 0.044 0.000 1.049 44 R HN 0.443 8.713 8.270 -0.000 0.000 0.508 45 F N 4.077 124.060 119.950 0.055 0.000 2.493 45 F HA 0.466 4.974 4.527 -0.031 0.000 0.329 45 F C -0.194 175.653 175.800 0.077 0.000 1.126 45 F CA -0.618 57.429 58.000 0.079 0.000 0.937 45 F CB 1.724 40.767 39.000 0.072 0.000 1.146 45 F HN 0.279 8.579 8.300 -0.000 0.000 0.442 46 I N 5.560 126.235 120.570 0.175 0.000 2.382 46 I HA 0.308 4.459 4.170 -0.031 0.000 0.285 46 I C -0.933 175.307 176.117 0.206 0.000 1.007 46 I CA -0.478 60.915 61.300 0.154 0.000 1.142 46 I CB 1.293 39.338 38.000 0.076 0.000 1.289 46 I HN 0.370 8.580 8.210 -0.000 0.000 0.453 47 L N 8.635 129.995 121.223 0.228 0.000 2.371 47 L HA 0.412 4.733 4.340 -0.031 0.000 0.262 47 L C -2.202 174.834 176.870 0.276 0.000 1.054 47 L CA -1.707 53.300 54.840 0.279 0.000 0.924 47 L CB 0.377 42.596 42.059 0.268 0.000 1.295 47 L HN 0.261 8.491 8.230 -0.000 0.000 0.441 48 P HA 0.000 4.420 4.420 -0.000 0.000 0.271 48 P C -0.893 176.676 177.300 0.448 0.000 1.244 48 P CA -0.354 62.938 63.100 0.321 0.000 0.793 48 P CB 1.018 32.910 31.700 0.320 0.000 0.984 49 Q N 0.554 120.565 119.800 0.351 0.000 2.348 49 Q HA 0.547 4.868 4.340 -0.031 0.000 0.265 49 Q C -0.897 175.141 176.000 0.064 0.000 0.998 49 Q CA -0.748 55.236 55.803 0.302 0.000 0.831 49 Q CB 0.854 29.674 28.738 0.137 0.000 1.251 49 Q HN 0.547 8.817 8.270 -0.000 0.000 0.456 50 A N 6.480 129.169 122.820 -0.217 0.000 2.498 50 A HA 0.454 4.756 4.320 -0.031 0.000 0.239 50 A C -2.123 175.210 177.584 -0.418 0.000 1.068 50 A CA -0.793 50.539 52.037 -1.174 0.000 0.766 50 A CB -0.399 17.423 19.000 -1.963 0.000 1.003 50 A HN 0.762 8.912 8.150 -0.000 0.000 0.497 51 P HA 0.160 4.580 4.420 -0.000 0.000 0.275 51 P C -0.409 176.819 177.300 -0.121 0.000 1.266 51 P CA -0.355 62.667 63.100 -0.131 0.000 0.793 51 P CB 0.637 32.302 31.700 -0.060 0.000 1.074 52 S N 0.529 116.192 115.700 -0.062 0.000 2.465 52 S HA 0.278 4.729 4.470 -0.031 0.000 0.279 52 S C 0.009 174.597 174.600 -0.020 0.000 1.201 52 S CA -0.230 57.946 58.200 -0.040 0.000 1.053 52 S CB -0.005 63.181 63.200 -0.023 0.000 0.953 52 S HN 0.340 8.650 8.310 -0.000 0.000 0.488 53 Q N 0.996 120.787 119.800 -0.014 0.000 2.456 53 Q HA 0.664 4.985 4.340 -0.031 0.000 0.283 53 Q C -0.871 175.146 176.000 0.028 0.000 1.084 53 Q CA -0.922 54.885 55.803 0.008 0.000 0.801 53 Q CB 2.030 30.771 28.738 0.005 0.000 1.434 53 Q HN 0.733 9.003 8.270 -0.000 0.000 0.419 54 A N 0.941 123.783 122.820 0.038 0.000 2.440 54 A HA 0.415 4.716 4.320 -0.031 0.000 0.251 54 A C -0.433 177.173 177.584 0.037 0.000 1.089 54 A CA -0.224 51.846 52.037 0.055 0.000 0.779 54 A CB 0.320 19.351 19.000 0.051 0.000 1.022 54 A HN 0.399 8.549 8.150 -0.000 0.000 0.492 55 V N 4.244 124.179 119.914 0.036 0.000 2.275 55 V HA 0.105 4.206 4.120 -0.031 0.000 0.272 55 V C 1.348 177.406 176.094 -0.060 0.000 1.028 55 V CA 0.068 62.358 62.300 -0.016 0.000 0.810 55 V CB 0.088 31.892 31.823 -0.032 0.000 1.043 55 V HN 1.123 9.313 8.190 -0.000 0.000 0.453 56 T N 3.330 117.851 114.554 -0.055 0.000 2.592 56 T HA -0.250 4.081 4.350 -0.031 0.000 0.267 56 T C 1.899 176.502 174.700 -0.161 0.000 1.060 56 T CA 2.408 64.460 62.100 -0.080 0.000 1.167 56 T CB -0.084 68.744 68.868 -0.067 0.000 0.863 56 T HN 0.427 8.667 8.240 -0.000 0.000 0.431 57 V N 1.719 121.487 119.914 -0.243 0.000 2.982 57 V HA -0.075 4.026 4.120 -0.031 0.000 0.265 57 V C 0.722 176.596 176.094 -0.368 0.000 1.122 57 V CA 1.454 63.490 62.300 -0.440 0.000 1.143 57 V CB -0.708 30.688 31.823 -0.712 0.000 0.726 57 V HN 0.507 8.697 8.190 -0.000 0.000 0.507 58 N N -0.488 118.032 118.700 -0.299 0.000 2.699 58 N HA 0.428 5.149 4.740 -0.031 0.000 0.317 58 N C 0.944 176.149 175.510 -0.508 0.000 1.661 58 N CA 0.346 53.122 53.050 -0.456 0.000 0.979 58 N CB 0.963 39.140 38.487 -0.516 0.000 1.329 58 N HN 0.416 8.796 8.380 -0.000 0.000 0.497 59 G N 1.010 109.654 108.800 -0.259 0.000 5.206 59 G HA2 -0.346 3.595 3.960 -0.031 0.000 0.328 59 G HA3 -0.346 3.595 3.960 -0.031 0.000 0.328 59 G C 0.627 175.527 174.900 -0.001 0.000 1.382 59 G CA 0.350 45.403 45.100 -0.079 0.000 0.994 59 G HN 0.624 8.914 8.290 -0.000 0.000 0.800 60 G N -2.387 106.471 108.800 0.097 0.000 4.791 60 G HA2 0.338 4.279 3.960 -0.031 0.000 0.219 60 G HA3 0.338 4.279 3.960 -0.031 0.000 0.219 60 G C -0.024 175.025 174.900 0.247 0.000 0.699 60 G CA 0.357 45.529 45.100 0.121 0.000 1.017 60 G HN 0.637 8.927 8.290 -0.000 0.000 0.670 61 W N 0.762 122.060 121.300 -0.004 0.000 2.274 61 W HA 0.402 5.044 4.660 -0.031 0.000 0.345 61 W C 0.435 176.948 176.519 -0.009 0.000 1.265 61 W CA -0.546 56.797 57.345 -0.004 0.000 1.293 61 W CB 0.455 29.916 29.460 0.002 0.000 1.175 61 W HN -0.047 8.133 8.180 -0.000 0.000 0.577 62 V N 6.287 126.320 119.914 0.198 0.000 2.333 62 V HA 0.407 4.509 4.120 -0.031 0.000 0.274 62 V C 0.472 176.620 176.094 0.091 0.000 1.028 62 V CA -0.686 61.676 62.300 0.103 0.000 0.851 62 V CB 0.129 31.981 31.823 0.047 0.000 1.000 62 V HN 0.515 8.705 8.190 -0.000 0.000 0.456 63 M N 4.765 124.413 119.600 0.081 0.000 2.779 63 M HA 0.741 5.203 4.480 -0.031 0.000 0.277 63 M C -3.145 173.153 176.300 -0.004 0.000 1.284 63 M CA -2.375 52.959 55.300 0.056 0.000 0.801 63 M CB 2.195 34.865 32.600 0.117 0.000 1.712 63 M HN 0.108 8.398 8.290 -0.000 0.000 0.453 64 P HA 0.244 4.664 4.420 -0.000 0.000 0.270 64 P C -1.163 176.055 177.300 -0.137 0.000 1.242 64 P CA 0.362 63.405 63.100 -0.095 0.000 0.768 64 P CB 0.770 32.422 31.700 -0.079 0.000 0.820 65 S N 2.335 117.894 115.700 -0.235 0.000 2.541 65 S HA 0.398 4.849 4.470 -0.031 0.000 0.280 65 S C -0.110 174.292 174.600 -0.331 0.000 1.112 65 S CA -0.573 57.482 58.200 -0.243 0.000 0.925 65 S CB 0.563 63.699 63.200 -0.106 0.000 1.067 65 S HN 0.351 8.661 8.310 -0.000 0.000 0.479 66 W N 2.756 123.992 121.300 -0.107 0.000 2.576 66 W HA 0.250 4.892 4.660 -0.030 0.000 0.275 66 W C 0.150 176.724 176.519 0.091 0.000 1.241 66 W CA -0.156 57.176 57.345 -0.022 0.000 1.328 66 W CB 0.221 29.665 29.460 -0.026 0.000 1.092 66 W HN 0.741 8.921 8.180 -0.000 0.000 0.586 67 Y N -2.316 118.120 120.300 0.227 0.000 2.581 67 Y HA 0.434 4.969 4.550 -0.026 0.000 0.337 67 Y C -1.214 174.741 175.900 0.093 0.000 1.108 67 Y CA -2.439 55.742 58.100 0.134 0.000 1.033 67 Y CB 0.337 38.864 38.460 0.111 0.000 1.318 67 Y HN -0.345 7.935 8.280 -0.000 0.000 0.459 68 D N 1.811 122.350 120.400 0.232 0.000 2.350 68 D HA 0.350 4.971 4.640 -0.031 0.000 0.249 68 D C -0.780 175.632 176.300 0.186 0.000 1.119 68 D CA 0.107 54.183 54.000 0.126 0.000 0.886 68 D CB 0.781 41.630 40.800 0.082 0.000 1.195 68 D HN 0.625 8.995 8.370 -0.000 0.000 0.437 69 I N 4.944 125.565 120.570 0.085 0.000 2.328 69 I HA 0.065 4.216 4.170 -0.031 0.000 0.287 69 I C 0.576 176.666 176.117 -0.045 0.000 1.012 69 I CA -0.585 60.762 61.300 0.077 0.000 1.195 69 I CB 1.384 39.408 38.000 0.039 0.000 1.350 69 I HN 0.391 8.601 8.210 -0.000 0.000 0.464 70 L N 6.397 127.602 121.223 -0.030 0.000 2.492 70 L HA 0.323 4.644 4.340 -0.031 0.000 0.223 70 L C 0.740 177.518 176.870 -0.153 0.000 1.132 70 L CA 0.473 55.267 54.840 -0.078 0.000 0.850 70 L CB -0.388 41.651 42.059 -0.033 0.000 0.966 70 L HN 0.717 8.947 8.230 -0.000 0.000 0.454 71 A N -2.724 119.980 122.820 -0.193 0.000 2.585 71 A HA 0.419 4.720 4.320 -0.031 0.000 0.299 71 A C -0.127 177.330 177.584 -0.211 0.000 1.047 71 A CA -0.719 51.157 52.037 -0.268 0.000 0.723 71 A CB -0.190 18.738 19.000 -0.119 0.000 1.275 71 A HN -0.034 8.116 8.150 -0.000 0.000 0.408 72 F N 0.998 120.928 119.950 -0.033 0.000 2.287 72 F HA 0.085 4.593 4.527 -0.032 0.000 0.301 72 F C 1.504 177.273 175.800 -0.051 0.000 1.069 72 F CA 2.092 60.060 58.000 -0.053 0.000 1.372 72 F CB 0.103 39.066 39.000 -0.061 0.000 1.056 72 F HN 0.494 8.794 8.300 -0.000 0.000 0.523 73 S N -1.624 114.138 115.700 0.102 0.000 2.533 73 S HA 0.547 4.998 4.470 -0.031 0.000 0.271 73 S C -2.393 172.224 174.600 0.028 0.000 1.143 73 S CA -1.230 57.004 58.200 0.057 0.000 0.891 73 S CB 1.286 64.521 63.200 0.058 0.000 1.105 73 S HN -0.273 8.037 8.310 -0.000 0.000 0.468 74 P HA 0.499 4.919 4.420 -0.000 0.000 0.323 74 P C 0.561 177.886 177.300 0.042 0.000 1.309 74 P CA -0.327 62.790 63.100 0.029 0.000 0.739 74 P CB 0.274 31.990 31.700 0.026 0.000 1.454 75 A N -0.391 122.464 122.820 0.057 0.000 1.898 75 A HA -0.155 4.146 4.320 -0.031 0.000 0.216 75 A C 2.233 179.905 177.584 0.147 0.000 1.181 75 A CA 1.535 53.646 52.037 0.123 0.000 0.620 75 A CB -1.050 18.044 19.000 0.157 0.000 0.819 75 A HN 0.276 8.426 8.150 -0.000 0.000 0.442 76 R N 0.267 120.811 120.500 0.074 0.000 2.241 76 R HA 0.068 4.389 4.340 -0.031 0.000 0.224 76 R C 1.374 177.689 176.300 0.025 0.000 1.101 76 R CA 0.797 56.916 56.100 0.032 0.000 0.995 76 R CB -0.860 29.449 30.300 0.015 0.000 0.870 76 R HN 0.386 8.656 8.270 -0.000 0.000 0.463 77 A N 0.978 123.822 122.820 0.041 0.000 2.480 77 A HA 0.094 4.396 4.320 -0.031 0.000 0.230 77 A C -0.052 177.559 177.584 0.045 0.000 1.753 77 A CA 0.301 52.354 52.037 0.027 0.000 1.690 77 A CB -1.547 17.460 19.000 0.012 0.000 0.751 77 A HN 0.365 8.515 8.150 -0.000 0.000 0.646 78 I N -4.426 116.168 120.570 0.040 0.000 3.042 78 I HA 0.513 4.665 4.170 -0.031 0.000 0.310 78 I C -0.509 175.628 176.117 0.033 0.000 1.117 78 I CA -1.622 59.724 61.300 0.076 0.000 1.003 78 I CB 1.341 39.378 38.000 0.061 0.000 1.228 78 I HN -0.005 8.205 8.210 -0.000 0.000 0.443 79 D N 2.325 122.776 120.400 0.085 0.000 2.352 79 D HA 0.087 4.708 4.640 -0.031 0.000 0.245 79 D C 0.576 176.887 176.300 0.019 0.000 1.224 79 D CA 0.318 54.354 54.000 0.059 0.000 0.879 79 D CB 1.037 41.893 40.800 0.094 0.000 1.057 79 D HN 0.824 9.194 8.370 -0.000 0.000 0.491 80 E N 2.509 122.691 120.200 -0.030 0.000 2.268 80 E HA -0.139 4.192 4.350 -0.031 0.000 0.195 80 E C 0.556 177.146 176.600 -0.017 0.000 0.995 80 E CA 0.660 57.013 56.400 -0.079 0.000 0.836 80 E CB 0.461 30.116 29.700 -0.075 0.000 0.763 80 E HN 0.490 8.850 8.360 -0.000 0.000 0.491 81 D N 0.233 120.650 120.400 0.029 0.000 2.162 81 D HA -0.112 4.509 4.640 -0.031 0.000 0.203 81 D C 1.790 178.143 176.300 0.089 0.000 0.967 81 D CA 0.722 54.756 54.000 0.057 0.000 0.840 81 D CB -0.034 40.797 40.800 0.052 0.000 0.972 81 D HN 0.299 8.669 8.370 -0.000 0.000 0.482 82 Q N 0.130 119.997 119.800 0.112 0.000 2.119 82 Q HA -0.106 4.215 4.340 -0.031 0.000 0.201 82 Q C 2.182 178.311 176.000 0.215 0.000 0.972 82 Q CA 0.474 56.375 55.803 0.163 0.000 0.847 82 Q CB -0.051 28.800 28.738 0.187 0.000 0.903 82 Q HN 0.163 8.433 8.270 -0.000 0.000 0.433 83 L N 1.732 123.062 121.223 0.178 0.000 1.989 83 L HA -0.200 4.121 4.340 -0.031 0.000 0.211 83 L C 1.656 178.619 176.870 0.156 0.000 1.071 83 L CA 1.850 56.770 54.840 0.132 0.000 0.749 83 L CB -0.803 41.128 42.059 -0.213 0.000 0.890 83 L HN 0.148 8.378 8.230 -0.000 0.000 0.431 84 N N 0.064 118.844 118.700 0.134 0.000 2.205 84 N HA -0.160 4.562 4.740 -0.031 0.000 0.186 84 N C 1.738 177.335 175.510 0.145 0.000 1.015 84 N CA 1.435 54.589 53.050 0.175 0.000 0.862 84 N CB -0.349 38.224 38.487 0.144 0.000 0.986 84 N HN 0.578 8.958 8.380 -0.000 0.000 0.429 85 A N 0.930 123.835 122.820 0.143 0.000 1.835 85 A HA -0.106 4.195 4.320 -0.031 0.000 0.215 85 A C 2.522 180.204 177.584 0.164 0.000 1.199 85 A CA 1.916 54.036 52.037 0.137 0.000 0.615 85 A CB -0.952 18.129 19.000 0.135 0.000 0.838 85 A HN 0.281 8.431 8.150 -0.000 0.000 0.444 86 S N 0.333 116.171 115.700 0.229 0.000 2.365 86 S HA -0.189 4.263 4.470 -0.031 0.000 0.225 86 S C 2.302 176.989 174.600 0.145 0.000 1.039 86 S CA 1.571 59.943 58.200 0.287 0.000 1.033 86 S CB -0.782 62.711 63.200 0.488 0.000 0.887 86 S HN 0.888 9.198 8.310 -0.000 0.000 0.447 87 A N 2.365 125.255 122.820 0.116 0.000 1.903 87 A HA -0.267 4.034 4.320 -0.031 0.000 0.219 87 A C 1.867 179.473 177.584 0.037 0.000 1.191 87 A CA 2.085 54.153 52.037 0.052 0.000 0.638 87 A CB -0.928 18.134 19.000 0.104 0.000 0.823 87 A HN 0.430 8.580 8.150 -0.000 0.000 0.451 88 D N -0.706 119.738 120.400 0.074 0.000 2.178 88 D HA -0.143 4.479 4.640 -0.031 0.000 0.201 88 D C 2.138 178.475 176.300 0.061 0.000 0.980 88 D CA 1.287 55.328 54.000 0.068 0.000 0.842 88 D CB -0.381 40.465 40.800 0.077 0.000 0.948 88 D HN 0.648 9.018 8.370 -0.000 0.000 0.472 89 Q N 0.191 120.041 119.800 0.084 0.000 2.170 89 Q HA -0.097 4.224 4.340 -0.031 0.000 0.203 89 Q C 2.352 178.378 176.000 0.045 0.000 0.976 89 Q CA 0.840 56.698 55.803 0.092 0.000 0.858 89 Q CB 0.214 29.053 28.738 0.168 0.000 0.907 89 Q HN 0.217 8.487 8.270 -0.000 0.000 0.433 90 V N 0.780 120.690 119.914 -0.007 0.000 2.302 90 V HA -0.211 3.891 4.120 -0.031 0.000 0.243 90 V C 2.146 178.172 176.094 -0.114 0.000 1.036 90 V CA 1.257 63.507 62.300 -0.083 0.000 1.020 90 V CB -0.466 31.261 31.823 -0.160 0.000 0.657 90 V HN 0.328 8.518 8.190 -0.000 0.000 0.453 91 I N 0.837 121.351 120.570 -0.093 0.000 2.315 91 I HA -0.303 3.848 4.170 -0.031 0.000 0.251 91 I C 2.646 178.755 176.117 -0.014 0.000 1.125 91 I CA 1.423 62.674 61.300 -0.082 0.000 1.392 91 I CB -0.621 37.431 38.000 0.087 0.000 1.065 91 I HN 0.330 8.540 8.210 -0.000 0.000 0.424 92 A N 1.412 124.237 122.820 0.008 0.000 1.828 92 A HA -0.194 4.107 4.320 -0.031 0.000 0.215 92 A C 2.268 179.854 177.584 0.003 0.000 1.203 92 A CA 1.483 53.536 52.037 0.026 0.000 0.614 92 A CB -1.042 17.981 19.000 0.038 0.000 0.844 92 A HN 0.341 8.491 8.150 -0.000 0.000 0.445 93 L N -0.334 120.883 121.223 -0.011 0.000 2.051 93 L HA -0.277 4.044 4.340 -0.031 0.000 0.214 93 L C 2.524 179.359 176.870 -0.058 0.000 1.076 93 L CA 1.582 56.408 54.840 -0.023 0.000 0.758 93 L CB -0.647 41.398 42.059 -0.023 0.000 0.890 93 L HN 0.456 8.686 8.230 -0.000 0.000 0.433 94 I N -0.449 120.049 120.570 -0.120 0.000 2.076 94 I HA -0.348 3.803 4.170 -0.031 0.000 0.237 94 I C 2.257 178.335 176.117 -0.064 0.000 1.059 94 I CA 1.598 62.795 61.300 -0.171 0.000 1.317 94 I CB -0.626 37.130 38.000 -0.407 0.000 1.037 94 I HN 0.308 8.518 8.210 -0.000 0.000 0.398 95 D N 0.557 120.955 120.400 -0.003 0.000 2.116 95 D HA -0.262 4.359 4.640 -0.031 0.000 0.193 95 D C 1.982 178.295 176.300 0.022 0.000 0.998 95 D CA 1.504 55.533 54.000 0.048 0.000 0.836 95 D CB -0.408 40.438 40.800 0.077 0.000 0.951 95 D HN 0.452 8.822 8.370 -0.000 0.000 0.449 96 E N 0.252 120.459 120.200 0.012 0.000 2.086 96 E HA -0.241 4.090 4.350 -0.031 0.000 0.200 96 E C 2.036 178.639 176.600 0.005 0.000 1.012 96 E CA 1.165 57.571 56.400 0.011 0.000 0.812 96 E CB 0.189 29.896 29.700 0.012 0.000 0.743 96 E HN 0.144 8.504 8.360 -0.000 0.000 0.453 97 Q N 0.129 119.924 119.800 -0.008 0.000 2.084 97 Q HA -0.187 4.135 4.340 -0.031 0.000 0.202 97 Q C 2.187 178.182 176.000 -0.008 0.000 0.978 97 Q CA 1.334 57.129 55.803 -0.014 0.000 0.844 97 Q CB -0.492 28.224 28.738 -0.036 0.000 0.898 97 Q HN 0.105 8.375 8.270 -0.000 0.000 0.426 98 R N 0.921 121.420 120.500 -0.001 0.000 2.105 98 R HA -0.066 4.255 4.340 -0.031 0.000 0.239 98 R C 1.965 178.270 176.300 0.009 0.000 1.135 98 R CA 1.568 57.673 56.100 0.009 0.000 0.967 98 R CB -0.712 29.607 30.300 0.030 0.000 0.861 98 R HN 0.231 8.501 8.270 -0.000 0.000 0.442 99 A N 0.861 123.688 122.820 0.011 0.000 1.877 99 A HA -0.129 4.172 4.320 -0.031 0.000 0.216 99 A C 1.684 179.273 177.584 0.008 0.000 1.186 99 A CA 1.622 53.666 52.037 0.011 0.000 0.620 99 A CB -0.395 18.613 19.000 0.013 0.000 0.822 99 A HN 0.369 8.519 8.150 -0.000 0.000 0.443 100 K N -0.859 119.545 120.400 0.006 0.000 2.616 100 K HA 0.121 4.422 4.320 -0.031 0.000 0.192 100 K C 1.017 177.619 176.600 0.003 0.000 1.031 100 K CA 0.512 56.802 56.287 0.006 0.000 1.004 100 K CB -0.346 32.158 32.500 0.006 0.000 0.810 100 K HN 0.757 9.007 8.250 -0.000 0.000 0.497 101 G N 1.252 110.053 108.800 0.002 0.000 2.175 101 G HA2 -0.209 3.732 3.960 -0.031 0.000 0.244 101 G HA3 -0.209 3.732 3.960 -0.031 0.000 0.244 101 G C 0.193 175.090 174.900 -0.005 0.000 0.982 101 G CA -0.416 44.684 45.100 -0.001 0.000 0.641 101 G HN 0.175 8.465 8.290 -0.000 0.000 0.527 102 I N 1.773 122.338 120.570 -0.008 0.000 2.588 102 I HA 0.501 4.653 4.170 -0.031 0.000 0.283 102 I C 1.187 177.294 176.117 -0.017 0.000 1.119 102 I CA -0.022 61.268 61.300 -0.016 0.000 1.419 102 I CB 0.706 38.691 38.000 -0.025 0.000 1.394 102 I HN 0.375 8.585 8.210 -0.000 0.000 0.562 103 A N 4.839 127.647 122.820 -0.020 0.000 2.340 103 A HA 0.574 4.875 4.320 -0.031 0.000 0.268 103 A C 1.207 178.775 177.584 -0.026 0.000 1.100 103 A CA 0.196 52.221 52.037 -0.020 0.000 0.803 103 A CB 0.666 19.653 19.000 -0.021 0.000 1.043 103 A HN 0.934 9.084 8.150 -0.000 0.000 0.488 104 A N 1.276 124.085 122.820 -0.017 0.000 1.852 104 A HA -0.190 4.111 4.320 -0.031 0.000 0.217 104 A C 1.563 179.123 177.584 -0.040 0.000 1.215 104 A CA 2.309 54.336 52.037 -0.018 0.000 0.641 104 A CB -0.933 18.065 19.000 -0.004 0.000 0.838 104 A HN 0.843 8.993 8.150 -0.000 0.000 0.450 105 E N -0.368 119.808 120.200 -0.041 0.000 2.455 105 E HA -0.110 4.221 4.350 -0.031 0.000 0.202 105 E C 1.464 178.027 176.600 -0.061 0.000 1.045 105 E CA 0.821 57.189 56.400 -0.053 0.000 0.872 105 E CB -0.187 29.483 29.700 -0.050 0.000 0.792 105 E HN 0.596 8.956 8.360 -0.000 0.000 0.542 106 R N -0.110 120.357 120.500 -0.056 0.000 2.586 106 R HA 0.338 4.659 4.340 -0.031 0.000 0.336 106 R C -0.250 176.007 176.300 -0.072 0.000 1.060 106 R CA -0.107 55.957 56.100 -0.060 0.000 1.079 106 R CB 0.613 30.885 30.300 -0.047 0.000 1.317 106 R HN 0.101 8.371 8.270 -0.000 0.000 0.568 107 I N 1.522 122.043 120.570 -0.081 0.000 2.406 107 I HA 0.400 4.552 4.170 -0.031 0.000 0.290 107 I C -0.376 175.669 176.117 -0.119 0.000 0.999 107 I CA -0.675 60.561 61.300 -0.107 0.000 1.124 107 I CB 1.818 39.751 38.000 -0.111 0.000 1.289 107 I HN -0.102 8.108 8.210 -0.000 0.000 0.441 108 I N 6.629 127.118 120.570 -0.134 0.000 2.545 108 I HA 0.425 4.576 4.170 -0.031 0.000 0.292 108 I C -0.643 175.368 176.117 -0.175 0.000 1.040 108 I CA -0.692 60.535 61.300 -0.122 0.000 1.068 108 I CB 2.281 40.246 38.000 -0.059 0.000 1.251 108 I HN 0.295 8.505 8.210 -0.000 0.000 0.424 109 L N 5.091 126.192 121.223 -0.203 0.000 2.322 109 L HA 0.850 5.172 4.340 -0.031 0.000 0.279 109 L C -0.107 176.557 176.870 -0.342 0.000 1.036 109 L CA -0.611 54.073 54.840 -0.259 0.000 0.807 109 L CB 1.661 43.557 42.059 -0.271 0.000 1.226 109 L HN 0.658 8.888 8.230 -0.000 0.000 0.433 110 A N 1.524 124.069 122.820 -0.459 0.000 2.455 110 A HA 0.889 5.190 4.320 -0.031 0.000 0.300 110 A C -0.493 176.599 177.584 -0.821 0.000 1.040 110 A CA -0.348 51.200 52.037 -0.814 0.000 0.697 110 A CB 1.964 20.126 19.000 -1.396 0.000 1.265 110 A HN 0.792 8.942 8.150 -0.000 0.000 0.407 111 G N 0.299 108.671 108.800 -0.714 0.000 2.753 111 G HA2 0.559 4.500 3.960 -0.031 0.000 0.297 111 G HA3 0.559 4.500 3.960 -0.031 0.000 0.297 111 G C -1.503 173.263 174.900 -0.224 0.000 1.430 111 G CA -0.457 44.382 45.100 -0.435 0.000 1.040 111 G HN 0.991 9.281 8.290 -0.000 0.000 0.530 112 F N 3.124 122.983 119.950 -0.152 0.000 2.404 112 F HA 0.633 5.142 4.527 -0.030 0.000 0.339 112 F C 1.197 177.061 175.800 0.107 0.000 1.105 112 F CA 0.906 58.917 58.000 0.019 0.000 1.087 112 F CB 1.939 41.090 39.000 0.251 0.000 1.143 112 F HN 0.917 9.217 8.300 -0.000 0.000 0.491 113 S N 2.792 118.077 115.700 -0.690 0.000 4.137 113 S HA -0.470 3.981 4.470 -0.031 0.000 0.541 113 S C 1.719 176.365 174.600 0.077 0.000 1.855 113 S CA 2.006 60.044 58.200 -0.270 0.000 4.197 113 S CB -1.669 61.438 63.200 -0.154 0.000 0.627 113 S HN 1.003 9.313 8.310 -0.000 0.000 0.490 114 Q N 0.827 120.747 119.800 0.201 0.000 2.112 114 Q HA -0.103 4.218 4.340 -0.031 0.000 0.206 114 Q C 2.251 178.309 176.000 0.097 0.000 0.987 114 Q CA 2.186 58.123 55.803 0.223 0.000 0.858 114 Q CB -1.143 27.706 28.738 0.185 0.000 0.905 114 Q HN 0.803 9.073 8.270 -0.000 0.000 0.420 115 G N -0.255 108.558 108.800 0.023 0.000 2.440 115 G HA2 -0.270 3.671 3.960 -0.031 0.000 0.218 115 G HA3 -0.270 3.671 3.960 -0.031 0.000 0.218 115 G C 1.289 176.019 174.900 -0.283 0.000 1.154 115 G CA 0.789 45.708 45.100 -0.302 0.000 0.767 115 G HN 0.544 8.834 8.290 -0.000 0.000 0.552 116 G N 1.012 109.712 108.800 -0.166 0.000 2.422 116 G HA2 0.054 3.996 3.960 -0.031 0.000 0.218 116 G HA3 0.054 3.996 3.960 -0.031 0.000 0.218 116 G C 2.044 176.845 174.900 -0.166 0.000 1.146 116 G CA 1.510 46.502 45.100 -0.179 0.000 0.769 116 G HN 0.657 8.947 8.290 -0.000 0.000 0.547 117 A N 0.373 123.103 122.820 -0.151 0.000 1.865 117 A HA 0.004 4.305 4.320 -0.031 0.000 0.217 117 A C 2.615 180.103 177.584 -0.160 0.000 1.191 117 A CA 2.008 53.898 52.037 -0.245 0.000 0.623 117 A CB -0.844 17.988 19.000 -0.279 0.000 0.826 117 A HN 0.292 8.442 8.150 -0.000 0.000 0.444 118 V N 0.385 120.228 119.914 -0.118 0.000 2.324 118 V HA -0.293 3.808 4.120 -0.031 0.000 0.250 118 V C 2.692 178.700 176.094 -0.144 0.000 1.060 118 V CA 2.257 64.475 62.300 -0.136 0.000 1.042 118 V CB -1.141 30.456 31.823 -0.376 0.000 0.650 118 V HN 0.614 8.804 8.190 -0.000 0.000 0.450 119 V N -2.617 117.171 119.914 -0.211 0.000 2.535 119 V HA -0.059 4.043 4.120 -0.031 0.000 0.246 119 V C 2.188 178.224 176.094 -0.097 0.000 1.045 119 V CA 1.225 63.406 62.300 -0.198 0.000 1.058 119 V CB -0.709 30.953 31.823 -0.269 0.000 0.689 119 V HN 0.406 8.596 8.190 -0.000 0.000 0.461 120 L N -0.026 121.181 121.223 -0.027 0.000 1.989 120 L HA -0.194 4.127 4.340 -0.031 0.000 0.211 120 L C 2.907 179.982 176.870 0.341 0.000 1.071 120 L CA 2.518 57.471 54.840 0.189 0.000 0.749 120 L CB -0.975 41.119 42.059 0.058 0.000 0.890 120 L HN 0.487 8.717 8.230 -0.000 0.000 0.431 121 H N -0.436 118.682 119.070 0.080 0.000 2.319 121 H HA -0.192 4.342 4.556 -0.037 0.000 0.299 121 H C 2.124 177.522 175.328 0.116 0.000 1.092 121 H CA 2.000 58.138 56.048 0.150 0.000 1.302 121 H CB 0.277 30.033 29.762 -0.010 0.000 1.373 121 H HN 0.289 8.569 8.280 -0.000 0.000 0.497 122 T N 0.546 115.078 114.554 -0.037 0.000 2.652 122 T HA -0.166 4.165 4.350 -0.031 0.000 0.267 122 T C 2.174 176.799 174.700 -0.124 0.000 1.039 122 T CA 1.436 63.459 62.100 -0.128 0.000 1.153 122 T CB -0.551 68.228 68.868 -0.149 0.000 0.863 122 T HN 0.518 8.758 8.240 -0.000 0.000 0.428 123 A N 0.529 123.223 122.820 -0.210 0.000 1.930 123 A HA 0.102 4.404 4.320 -0.031 0.000 0.217 123 A C 1.599 178.933 177.584 -0.415 0.000 1.175 123 A CA 1.161 52.943 52.037 -0.426 0.000 0.627 123 A CB -0.570 17.968 19.000 -0.771 0.000 0.815 123 A HN 0.519 8.669 8.150 -0.000 0.000 0.443 124 F N -1.571 118.468 119.950 0.149 0.000 2.678 124 F HA 0.305 4.809 4.527 -0.038 0.000 0.305 124 F C 2.055 177.849 175.800 -0.010 0.000 1.090 124 F CA -0.049 58.014 58.000 0.105 0.000 1.272 124 F CB 0.499 39.473 39.000 -0.043 0.000 1.060 124 F HN 0.035 8.335 8.300 -0.000 0.000 0.576 125 R N -1.149 119.390 120.500 0.066 0.000 2.562 125 R HA 0.292 4.613 4.340 -0.031 0.000 0.191 125 R C 1.921 178.123 176.300 -0.164 0.000 0.835 125 R CA 0.126 56.181 56.100 -0.074 0.000 1.036 125 R CB 0.138 30.371 30.300 -0.112 0.000 1.437 125 R HN 0.142 8.412 8.270 -0.000 0.000 0.654 126 R N -0.407 119.959 120.500 -0.224 0.000 2.072 126 R HA 0.158 4.479 4.340 -0.031 0.000 0.214 126 R C 0.009 176.330 176.300 0.036 0.000 1.168 126 R CA 0.017 56.049 56.100 -0.114 0.000 1.020 126 R CB 0.082 30.293 30.300 -0.149 0.000 0.914 126 R HN -0.095 8.175 8.270 -0.000 0.000 0.449 127 Y N 0.908 121.163 120.300 -0.074 0.000 2.717 127 Y HA -0.053 4.477 4.550 -0.032 0.000 0.330 127 Y C 0.790 176.738 175.900 0.079 0.000 1.217 127 Y CA 0.020 58.100 58.100 -0.033 0.000 1.506 127 Y CB 1.165 39.573 38.460 -0.087 0.000 1.268 127 Y HN 0.217 8.497 8.280 -0.000 0.000 0.561 128 A N 4.410 127.042 122.820 -0.313 0.000 1.984 128 A HA 0.030 4.331 4.320 -0.031 0.000 0.214 128 A C 0.797 178.267 177.584 -0.189 0.000 1.173 128 A CA 0.345 52.294 52.037 -0.146 0.000 0.673 128 A CB -0.202 18.691 19.000 -0.179 0.000 0.830 128 A HN 0.810 8.960 8.150 -0.000 0.000 0.453 129 Q N 0.374 119.798 119.800 -0.627 0.000 2.260 129 Q HA 0.335 4.656 4.340 -0.031 0.000 0.238 129 Q C -2.438 173.433 176.000 -0.215 0.000 0.948 129 Q CA -2.203 53.379 55.803 -0.369 0.000 0.895 129 Q CB 0.861 29.389 28.738 -0.350 0.000 1.218 129 Q HN 0.274 8.544 8.270 -0.000 0.000 0.470 130 P HA 0.037 4.457 4.420 -0.000 0.000 0.272 130 P C -1.072 176.196 177.300 -0.053 0.000 1.223 130 P CA 0.027 63.025 63.100 -0.170 0.000 0.784 130 P CB 0.812 32.440 31.700 -0.120 0.000 0.923 131 L N 1.421 122.578 121.223 -0.109 0.000 2.260 131 L HA 0.453 4.774 4.340 -0.031 0.000 0.265 131 L C 1.908 178.728 176.870 -0.085 0.000 1.015 131 L CA -0.290 54.490 54.840 -0.099 0.000 0.826 131 L CB 0.489 42.446 42.059 -0.170 0.000 1.373 131 L HN 0.545 8.775 8.230 -0.000 0.000 0.450 132 G N -1.350 107.403 108.800 -0.079 0.000 2.838 132 G HA2 0.446 4.387 3.960 -0.031 0.000 0.210 132 G HA3 0.446 4.387 3.960 -0.031 0.000 0.210 132 G C 0.438 175.318 174.900 -0.033 0.000 1.153 132 G CA 0.717 45.779 45.100 -0.064 0.000 0.778 132 G HN 0.898 9.188 8.290 -0.000 0.000 0.539 133 G N -1.883 106.915 108.800 -0.004 0.000 2.320 133 G HA2 0.447 4.388 3.960 -0.031 0.000 0.297 133 G HA3 0.447 4.388 3.960 -0.031 0.000 0.297 133 G C -2.139 172.798 174.900 0.061 0.000 1.344 133 G CA -0.118 45.063 45.100 0.136 0.000 0.851 133 G HN 0.695 8.985 8.290 -0.000 0.000 0.567 134 V N -0.081 119.899 119.914 0.110 0.000 2.891 134 V HA 0.600 4.701 4.120 -0.031 0.000 0.304 134 V C -0.589 175.358 176.094 -0.245 0.000 1.171 134 V CA -0.610 61.635 62.300 -0.091 0.000 0.943 134 V CB 1.862 33.639 31.823 -0.077 0.000 1.037 134 V HN 0.769 8.959 8.190 -0.000 0.000 0.427 135 L N 3.558 124.560 121.223 -0.367 0.000 2.298 135 L HA 0.833 5.154 4.340 -0.031 0.000 0.284 135 L C 0.244 176.848 176.870 -0.443 0.000 1.013 135 L CA -0.549 53.987 54.840 -0.507 0.000 0.824 135 L CB 1.827 43.530 42.059 -0.594 0.000 1.221 135 L HN 0.806 9.036 8.230 -0.000 0.000 0.418 136 A N 5.699 128.299 122.820 -0.365 0.000 2.322 136 A HA 0.547 4.848 4.320 -0.031 0.000 0.327 136 A C -0.511 176.985 177.584 -0.146 0.000 1.394 136 A CA -0.444 51.467 52.037 -0.211 0.000 0.921 136 A CB 0.297 19.251 19.000 -0.077 0.000 1.153 136 A HN 0.552 8.702 8.150 -0.000 0.000 0.523 137 L N 2.474 123.610 121.223 -0.145 0.000 2.268 137 L HA 0.230 4.551 4.340 -0.031 0.000 0.289 137 L C 0.445 177.205 176.870 -0.183 0.000 1.064 137 L CA 0.137 54.956 54.840 -0.035 0.000 0.824 137 L CB 0.396 42.572 42.059 0.196 0.000 1.202 137 L HN 0.913 9.143 8.230 -0.000 0.000 0.433 138 S N 1.657 117.166 115.700 -0.318 0.000 3.524 138 S HA -0.159 4.292 4.470 -0.031 0.000 0.377 138 S C 0.604 174.989 174.600 -0.358 0.000 0.949 138 S CA 1.095 58.842 58.200 -0.755 0.000 1.264 138 S CB -0.961 61.782 63.200 -0.763 0.000 0.918 138 S HN 0.958 9.268 8.310 -0.000 0.000 0.517 139 T N -1.596 112.981 114.554 0.038 0.000 2.573 139 T HA 0.888 5.219 4.350 -0.031 0.000 0.259 139 T C -0.661 174.314 174.700 0.459 0.000 0.886 139 T CA -0.332 61.917 62.100 0.249 0.000 1.110 139 T CB 1.501 70.430 68.868 0.100 0.000 1.421 139 T HN 0.880 9.120 8.240 -0.000 0.000 0.523 140 Y N -1.749 118.596 120.300 0.075 0.000 2.689 140 Y HA 0.816 5.349 4.550 -0.029 0.000 0.333 140 Y C -1.273 174.555 175.900 -0.119 0.000 1.208 140 Y CA -2.068 56.044 58.100 0.021 0.000 1.055 140 Y CB 1.023 39.507 38.460 0.039 0.000 1.304 140 Y HN 0.963 9.243 8.280 -0.000 0.000 0.455 141 A N 2.635 125.187 122.820 -0.447 0.000 2.938 141 A HA 0.486 4.787 4.320 -0.031 0.000 0.344 141 A C -2.111 175.116 177.584 -0.595 0.000 1.142 141 A CA -1.579 49.959 52.037 -0.832 0.000 0.841 141 A CB -0.209 17.840 19.000 -1.585 0.000 1.083 141 A HN 0.610 8.760 8.150 -0.000 0.000 0.479 142 P HA -0.179 4.241 4.420 -0.000 0.000 0.221 142 P C 0.941 178.112 177.300 -0.216 0.000 1.141 142 P CA 1.987 64.900 63.100 -0.312 0.000 0.794 142 P CB -0.094 31.375 31.700 -0.386 0.000 0.764 143 T N -6.495 107.916 114.554 -0.239 0.000 3.174 143 T HA 0.236 4.567 4.350 -0.031 0.000 0.269 143 T C 0.815 175.713 174.700 0.331 0.000 1.017 143 T CA -0.389 61.700 62.100 -0.018 0.000 0.899 143 T CB -0.648 68.150 68.868 -0.117 0.000 1.077 143 T HN -0.218 8.022 8.240 -0.000 0.000 0.552 144 F N 2.964 122.908 119.950 -0.011 0.000 2.754 144 F HA 0.166 4.682 4.527 -0.018 0.000 0.297 144 F C 1.962 177.760 175.800 -0.004 0.000 1.122 144 F CA -1.035 56.969 58.000 0.007 0.000 1.400 144 F CB -0.226 38.774 39.000 -0.001 0.000 1.117 144 F HN 0.343 8.643 8.300 -0.000 0.000 0.587 145 D N -0.238 120.267 120.400 0.176 0.000 2.172 145 D HA -0.206 4.415 4.640 -0.031 0.000 0.196 145 D C -0.121 176.212 176.300 0.056 0.000 0.999 145 D CA 1.147 55.200 54.000 0.088 0.000 0.856 145 D CB -0.678 40.157 40.800 0.059 0.000 0.934 145 D HN 0.166 8.536 8.370 -0.000 0.000 0.453 146 D N 0.576 121.016 120.400 0.066 0.000 2.411 146 D HA 0.439 5.060 4.640 -0.031 0.000 0.225 146 D C -0.474 175.826 176.300 -0.001 0.000 1.156 146 D CA -0.344 53.675 54.000 0.031 0.000 0.874 146 D CB 1.419 42.246 40.800 0.044 0.000 1.034 146 D HN 0.113 8.483 8.370 -0.000 0.000 0.502 147 L N 1.506 122.696 121.223 -0.055 0.000 2.562 147 L HA 0.512 4.833 4.340 -0.031 0.000 0.266 147 L C -1.202 175.595 176.870 -0.122 0.000 0.949 147 L CA -0.276 54.483 54.840 -0.135 0.000 0.879 147 L CB 1.999 43.908 42.059 -0.249 0.000 1.278 147 L HN 0.373 8.603 8.230 -0.000 0.000 0.404 148 A N 5.688 128.435 122.820 -0.121 0.000 3.415 148 A HA 0.471 4.772 4.320 -0.031 0.000 0.244 148 A C -0.586 176.933 177.584 -0.108 0.000 0.988 148 A CA -0.450 51.526 52.037 -0.101 0.000 0.991 148 A CB -0.110 18.845 19.000 -0.075 0.000 1.240 148 A HN 0.557 8.707 8.150 -0.000 0.000 0.541 149 L N 1.415 122.565 121.223 -0.121 0.000 2.593 149 L HA 0.052 4.373 4.340 -0.031 0.000 0.287 149 L C 0.648 177.479 176.870 -0.065 0.000 1.243 149 L CA 0.131 54.916 54.840 -0.092 0.000 0.890 149 L CB -0.062 41.968 42.059 -0.048 0.000 1.134 149 L HN 0.745 8.975 8.230 -0.000 0.000 0.502 150 D N 0.646 121.000 120.400 -0.077 0.000 2.383 150 D HA 0.048 4.669 4.640 -0.031 0.000 0.248 150 D C 0.774 177.099 176.300 0.041 0.000 1.170 150 D CA -0.659 53.322 54.000 -0.032 0.000 0.977 150 D CB 0.696 41.463 40.800 -0.056 0.000 1.120 150 D HN 0.427 8.797 8.370 -0.000 0.000 0.481 151 E N -0.168 120.052 120.200 0.033 0.000 2.147 151 E HA -0.286 4.045 4.350 -0.031 0.000 0.199 151 E C 1.874 178.519 176.600 0.075 0.000 1.005 151 E CA 1.585 58.009 56.400 0.041 0.000 0.810 151 E CB -0.150 29.563 29.700 0.022 0.000 0.736 151 E HN 0.623 8.983 8.360 -0.000 0.000 0.460 152 R N -0.997 119.574 120.500 0.118 0.000 2.093 152 R HA -0.101 4.220 4.340 -0.031 0.000 0.224 152 R C 1.516 177.902 176.300 0.143 0.000 1.101 152 R CA 1.357 57.530 56.100 0.121 0.000 0.979 152 R CB -0.381 29.991 30.300 0.118 0.000 0.877 152 R HN 0.248 8.518 8.270 -0.000 0.000 0.441 153 H N 0.415 119.522 119.070 0.061 0.000 2.559 153 H HA 0.090 4.638 4.556 -0.014 0.000 0.273 153 H C 1.186 176.648 175.328 0.224 0.000 1.000 153 H CA 0.914 57.048 56.048 0.143 0.000 1.195 153 H CB 0.271 30.142 29.762 0.182 0.000 1.368 153 H HN 0.281 8.561 8.280 -0.000 0.000 0.592 154 K N 0.111 120.639 120.400 0.215 0.000 2.365 154 K HA 0.073 4.374 4.320 -0.031 0.000 0.197 154 K C 1.516 178.186 176.600 0.116 0.000 1.042 154 K CA 0.249 56.616 56.287 0.133 0.000 0.987 154 K CB 0.308 32.843 32.500 0.058 0.000 0.779 154 K HN 0.161 8.411 8.250 -0.000 0.000 0.484 155 R N 0.898 121.456 120.500 0.096 0.000 2.339 155 R HA 0.104 4.425 4.340 -0.031 0.000 0.199 155 R C 0.216 176.557 176.300 0.068 0.000 1.018 155 R CA 0.327 56.462 56.100 0.058 0.000 1.036 155 R CB -0.077 30.238 30.300 0.025 0.000 0.899 155 R HN 0.115 8.385 8.270 -0.000 0.000 0.473 156 I N 3.913 124.562 120.570 0.132 0.000 2.308 156 I HA 0.144 4.295 4.170 -0.031 0.000 0.293 156 I C -1.960 174.296 176.117 0.232 0.000 1.078 156 I CA -2.200 59.188 61.300 0.148 0.000 1.292 156 I CB 0.674 38.761 38.000 0.143 0.000 1.423 156 I HN -0.202 8.008 8.210 -0.000 0.000 0.493 157 P HA 0.193 4.613 4.420 -0.000 0.000 0.271 157 P C -0.688 176.858 177.300 0.410 0.000 1.218 157 P CA -0.030 63.233 63.100 0.272 0.000 0.780 157 P CB 1.789 33.602 31.700 0.188 0.000 0.901 158 V N 2.837 122.964 119.914 0.354 0.000 3.007 158 V HA 0.442 4.543 4.120 -0.031 0.000 0.311 158 V C -0.432 175.569 176.094 -0.154 0.000 1.120 158 V CA -0.791 61.570 62.300 0.101 0.000 0.980 158 V CB 2.172 34.017 31.823 0.036 0.000 1.033 158 V HN 0.414 8.604 8.190 -0.000 0.000 0.429 159 L N 3.366 124.216 121.223 -0.621 0.000 2.404 159 L HA 0.616 4.937 4.340 -0.031 0.000 0.272 159 L C -0.759 175.767 176.870 -0.573 0.000 0.980 159 L CA -0.003 54.420 54.840 -0.695 0.000 0.836 159 L CB 1.391 42.643 42.059 -1.346 0.000 1.238 159 L HN 0.695 8.925 8.230 -0.000 0.000 0.408 160 H N 6.026 125.044 119.070 -0.088 0.000 2.458 160 H HA 0.642 5.178 4.556 -0.033 0.000 0.330 160 H C -0.998 174.150 175.328 -0.299 0.000 1.111 160 H CA -0.530 55.493 56.048 -0.041 0.000 1.245 160 H CB 1.901 31.861 29.762 0.331 0.000 1.456 160 H HN 0.509 8.789 8.280 -0.000 0.000 0.488 161 L N 2.258 123.389 121.223 -0.153 0.000 2.388 161 L HA 0.459 4.780 4.340 -0.031 0.000 0.264 161 L C -0.595 176.212 176.870 -0.106 0.000 0.998 161 L CA -0.515 54.229 54.840 -0.161 0.000 0.817 161 L CB 2.538 44.643 42.059 0.076 0.000 1.338 161 L HN 0.629 8.859 8.230 -0.000 0.000 0.414 162 H N -0.388 118.584 119.070 -0.163 0.000 3.042 162 H HA 0.585 5.122 4.556 -0.032 0.000 0.346 162 H C -0.545 174.870 175.328 0.146 0.000 1.294 162 H CA -0.423 55.625 56.048 0.000 0.000 1.141 162 H CB 2.152 31.902 29.762 -0.020 0.000 1.872 162 H HN 0.730 9.010 8.280 -0.000 0.000 0.541 163 G N 0.477 109.486 108.800 0.347 0.000 2.356 163 G HA2 0.302 4.243 3.960 -0.031 0.000 0.298 163 G HA3 0.302 4.243 3.960 -0.031 0.000 0.298 163 G C 0.271 175.360 174.900 0.316 0.000 1.145 163 G CA -0.280 45.003 45.100 0.305 0.000 0.850 163 G HN 0.621 8.911 8.290 -0.000 0.000 0.487 164 S N 1.254 117.085 115.700 0.219 0.000 2.402 164 S HA -0.094 4.357 4.470 -0.031 0.000 0.229 164 S C 1.846 176.529 174.600 0.138 0.000 1.021 164 S CA 0.818 59.117 58.200 0.165 0.000 0.974 164 S CB 0.062 63.333 63.200 0.119 0.000 0.800 164 S HN 0.618 8.928 8.310 -0.000 0.000 0.484 165 Q N 1.271 121.155 119.800 0.140 0.000 2.280 165 Q HA 0.218 4.540 4.340 -0.031 0.000 0.202 165 Q C -0.303 175.776 176.000 0.131 0.000 0.903 165 Q CA -0.011 55.859 55.803 0.110 0.000 0.948 165 Q CB -0.502 28.292 28.738 0.092 0.000 1.058 165 Q HN 0.391 8.661 8.270 -0.000 0.000 0.493 166 D N 3.079 123.593 120.400 0.190 0.000 2.389 166 D HA -0.064 4.557 4.640 -0.031 0.000 0.263 166 D C 0.065 176.445 176.300 0.134 0.000 1.255 166 D CA 0.319 54.452 54.000 0.222 0.000 0.914 166 D CB 0.660 41.680 40.800 0.367 0.000 1.116 166 D HN 0.182 8.552 8.370 -0.000 0.000 0.502 167 D N 2.719 123.167 120.400 0.080 0.000 2.525 167 D HA 0.011 4.632 4.640 -0.031 0.000 0.229 167 D C 0.841 177.106 176.300 -0.058 0.000 1.202 167 D CA -0.180 53.825 54.000 0.008 0.000 0.828 167 D CB 0.417 41.216 40.800 -0.002 0.000 1.008 167 D HN 0.200 8.570 8.370 -0.000 0.000 0.493 168 V N -0.933 118.935 119.914 -0.078 0.000 3.251 168 V HA 0.141 4.243 4.120 -0.031 0.000 0.239 168 V C 0.386 176.367 176.094 -0.189 0.000 1.332 168 V CA 0.101 62.262 62.300 -0.232 0.000 1.224 168 V CB 1.563 33.044 31.823 -0.570 0.000 1.004 168 V HN 0.046 8.236 8.190 -0.000 0.000 0.464 169 V N 1.868 121.760 119.914 -0.036 0.000 2.419 169 V HA 0.374 4.475 4.120 -0.031 0.000 0.287 169 V C -0.821 175.373 176.094 0.167 0.000 1.017 169 V CA -0.693 61.640 62.300 0.054 0.000 0.844 169 V CB 1.521 33.456 31.823 0.186 0.000 1.011 169 V HN 0.336 8.526 8.190 -0.000 0.000 0.429 170 D N 7.016 127.434 120.400 0.030 0.000 2.502 170 D HA 0.035 4.656 4.640 -0.031 0.000 0.249 170 D C -1.424 174.847 176.300 -0.049 0.000 1.188 170 D CA -0.982 53.021 54.000 0.005 0.000 0.890 170 D CB 1.975 42.755 40.800 -0.033 0.000 1.140 170 D HN 0.220 8.590 8.370 -0.000 0.000 0.505 171 P HA -0.206 4.214 4.420 -0.000 0.000 0.217 171 P C 0.897 178.053 177.300 -0.240 0.000 1.148 171 P CA 1.685 64.543 63.100 -0.404 0.000 0.834 171 P CB 0.223 31.849 31.700 -0.123 0.000 0.783 172 A N -0.811 121.927 122.820 -0.137 0.000 1.877 172 A HA -0.171 4.130 4.320 -0.031 0.000 0.216 172 A C 2.190 179.724 177.584 -0.084 0.000 1.186 172 A CA 1.406 53.371 52.037 -0.119 0.000 0.620 172 A CB -1.571 17.380 19.000 -0.082 0.000 0.822 172 A HN 0.130 8.280 8.150 -0.000 0.000 0.443 173 L N -0.677 120.526 121.223 -0.034 0.000 2.131 173 L HA -0.133 4.189 4.340 -0.031 0.000 0.210 173 L C 2.744 179.670 176.870 0.094 0.000 1.092 173 L CA 0.901 55.768 54.840 0.044 0.000 0.759 173 L CB -0.667 41.430 42.059 0.063 0.000 0.903 173 L HN 0.535 8.765 8.230 -0.000 0.000 0.435 174 G N -0.292 108.541 108.800 0.056 0.000 2.414 174 G HA2 -0.289 3.652 3.960 -0.031 0.000 0.215 174 G HA3 -0.289 3.652 3.960 -0.031 0.000 0.215 174 G C 1.681 176.684 174.900 0.172 0.000 1.188 174 G CA 0.572 45.787 45.100 0.191 0.000 0.783 174 G HN 0.178 8.468 8.290 -0.000 0.000 0.537 175 R N 0.905 121.328 120.500 -0.130 0.000 2.081 175 R HA 0.091 4.412 4.340 -0.031 0.000 0.235 175 R C 2.835 178.992 176.300 -0.239 0.000 1.131 175 R CA 1.658 57.431 56.100 -0.544 0.000 0.960 175 R CB -0.792 29.020 30.300 -0.812 0.000 0.856 175 R HN 0.261 8.531 8.270 -0.000 0.000 0.436 176 A N 0.533 123.277 122.820 -0.126 0.000 1.894 176 A HA -0.296 4.005 4.320 -0.031 0.000 0.220 176 A C 2.415 180.007 177.584 0.013 0.000 1.237 176 A CA 2.606 54.616 52.037 -0.044 0.000 0.660 176 A CB -1.532 17.468 19.000 0.001 0.000 0.835 176 A HN 0.528 8.678 8.150 -0.000 0.000 0.461 177 A N -1.445 121.401 122.820 0.044 0.000 1.917 177 A HA -0.294 4.007 4.320 -0.031 0.000 0.219 177 A C 2.169 179.771 177.584 0.029 0.000 1.182 177 A CA 2.220 54.313 52.037 0.095 0.000 0.633 177 A CB -1.017 18.030 19.000 0.078 0.000 0.819 177 A HN 0.851 9.001 8.150 -0.000 0.000 0.448 178 H N 0.261 119.089 119.070 -0.403 0.000 2.293 178 H HA -0.133 4.404 4.556 -0.030 0.000 0.300 178 H C 1.389 176.573 175.328 -0.240 0.000 1.082 178 H CA 1.960 57.604 56.048 -0.673 0.000 1.308 178 H CB -0.403 28.957 29.762 -0.671 0.000 1.375 178 H HN 0.401 8.681 8.280 -0.000 0.000 0.495 179 D N 0.758 121.241 120.400 0.137 0.000 2.144 179 D HA -0.095 4.526 4.640 -0.031 0.000 0.199 179 D C 2.260 178.550 176.300 -0.016 0.000 0.984 179 D CA 1.207 55.252 54.000 0.076 0.000 0.834 179 D CB -0.431 40.359 40.800 -0.016 0.000 0.955 179 D HN 0.508 8.878 8.370 -0.000 0.000 0.465 180 A N 0.906 123.729 122.820 0.005 0.000 1.858 180 A HA -0.146 4.156 4.320 -0.031 0.000 0.216 180 A C 2.427 179.942 177.584 -0.115 0.000 1.190 180 A CA 1.047 53.081 52.037 -0.004 0.000 0.617 180 A CB -0.870 18.218 19.000 0.147 0.000 0.827 180 A HN 0.193 8.343 8.150 -0.000 0.000 0.443 181 L N -0.916 120.220 121.223 -0.145 0.000 2.046 181 L HA -0.246 4.075 4.340 -0.031 0.000 0.208 181 L C 2.910 179.642 176.870 -0.231 0.000 1.077 181 L CA 1.839 56.496 54.840 -0.304 0.000 0.747 181 L CB -0.598 41.273 42.059 -0.313 0.000 0.896 181 L HN 0.622 8.852 8.230 -0.000 0.000 0.432 182 Q N 0.371 120.050 119.800 -0.202 0.000 2.077 182 Q HA -0.266 4.055 4.340 -0.031 0.000 0.206 182 Q C 2.221 178.158 176.000 -0.105 0.000 0.989 182 Q CA 2.121 57.825 55.803 -0.166 0.000 0.853 182 Q CB -0.186 28.450 28.738 -0.170 0.000 0.907 182 Q HN 0.507 8.777 8.270 -0.000 0.000 0.418 183 A N 0.241 123.006 122.820 -0.092 0.000 2.125 183 A HA -0.155 4.146 4.320 -0.031 0.000 0.219 183 A C 1.615 179.150 177.584 -0.082 0.000 1.156 183 A CA 1.229 53.223 52.037 -0.072 0.000 0.671 183 A CB -0.195 18.768 19.000 -0.060 0.000 0.794 183 A HN 0.492 8.642 8.150 -0.000 0.000 0.459 184 Q N -1.032 118.700 119.800 -0.114 0.000 2.280 184 Q HA 0.224 4.545 4.340 -0.031 0.000 0.201 184 Q C 0.668 176.616 176.000 -0.087 0.000 0.890 184 Q CA 0.475 56.211 55.803 -0.112 0.000 0.947 184 Q CB 0.164 28.802 28.738 -0.166 0.000 1.081 184 Q HN 0.878 9.148 8.270 -0.000 0.000 0.502 185 G N 1.113 109.868 108.800 -0.076 0.000 2.368 185 G HA2 -0.209 3.732 3.960 -0.031 0.000 0.290 185 G HA3 -0.209 3.732 3.960 -0.031 0.000 0.290 185 G C -0.324 174.551 174.900 -0.043 0.000 1.098 185 G CA -0.014 45.057 45.100 -0.048 0.000 1.073 185 G HN 0.172 8.462 8.290 -0.000 0.000 0.511 186 V N 0.596 120.471 119.914 -0.065 0.000 2.495 186 V HA 0.440 4.541 4.120 -0.031 0.000 0.298 186 V C 0.689 176.779 176.094 -0.007 0.000 1.031 186 V CA -0.832 61.445 62.300 -0.039 0.000 0.871 186 V CB 2.015 33.756 31.823 -0.136 0.000 0.988 186 V HN 0.594 8.784 8.190 -0.000 0.000 0.432 187 E N 4.133 124.362 120.200 0.048 0.000 2.383 187 E HA 0.311 4.642 4.350 -0.031 0.000 0.257 187 E C -0.656 176.012 176.600 0.112 0.000 1.079 187 E CA -0.106 56.341 56.400 0.078 0.000 0.934 187 E CB 0.779 30.537 29.700 0.097 0.000 0.978 187 E HN 0.637 8.997 8.360 -0.000 0.000 0.462 188 V N 1.180 121.143 119.914 0.081 0.000 3.040 188 V HA 0.938 5.039 4.120 -0.031 0.000 0.312 188 V C 0.025 176.224 176.094 0.174 0.000 1.115 188 V CA -0.424 61.933 62.300 0.096 0.000 0.998 188 V CB 1.877 33.660 31.823 -0.067 0.000 1.042 188 V HN 0.600 8.790 8.190 -0.000 0.000 0.433 189 G N 1.022 109.955 108.800 0.222 0.000 2.563 189 G HA2 0.627 4.568 3.960 -0.031 0.000 0.302 189 G HA3 0.627 4.568 3.960 -0.031 0.000 0.302 189 G C -1.900 173.188 174.900 0.314 0.000 1.301 189 G CA -0.648 44.571 45.100 0.199 0.000 0.965 189 G HN 1.069 9.359 8.290 -0.000 0.000 0.480 190 W N 1.623 122.881 121.300 -0.070 0.000 2.883 190 W HA 0.672 5.312 4.660 -0.032 0.000 0.335 190 W C -1.725 174.565 176.519 -0.381 0.000 1.083 190 W CA -0.677 56.598 57.345 -0.116 0.000 1.233 190 W CB 1.870 31.230 29.460 -0.166 0.000 1.412 190 W HN 0.681 8.861 8.180 -0.000 0.000 0.490 191 H N 2.987 121.504 119.070 -0.922 0.000 3.083 191 H HA 0.162 4.699 4.556 -0.030 0.000 0.339 191 H C -1.059 173.625 175.328 -1.074 0.000 1.020 191 H CA -0.686 54.905 56.048 -0.761 0.000 1.360 191 H CB 1.956 31.500 29.762 -0.365 0.000 1.811 191 H HN 0.323 8.603 8.280 -0.000 0.000 0.493 192 D N 1.382 121.338 120.400 -0.740 0.000 2.350 192 D HA 0.491 5.113 4.640 -0.031 0.000 0.238 192 D C -1.072 174.812 176.300 -0.694 0.000 0.989 192 D CA -0.581 53.134 54.000 -0.475 0.000 0.921 192 D CB 1.768 42.593 40.800 0.043 0.000 1.297 192 D HN 0.265 8.635 8.370 -0.000 0.000 0.490 193 Y N -1.879 118.447 120.300 0.043 0.000 2.562 193 Y HA 0.420 4.951 4.550 -0.032 0.000 0.345 193 Y C -2.401 173.531 175.900 0.055 0.000 1.045 193 Y CA -2.749 55.371 58.100 0.034 0.000 1.028 193 Y CB 2.047 40.509 38.460 0.004 0.000 1.297 193 Y HN 0.249 8.529 8.280 -0.000 0.000 0.463 194 P HA 0.149 4.569 4.420 -0.000 0.000 0.268 194 P C -0.870 176.506 177.300 0.127 0.000 1.485 194 P CA 0.512 63.688 63.100 0.128 0.000 1.102 194 P CB -0.133 31.622 31.700 0.092 0.000 1.501 195 M N 0.921 120.605 119.600 0.139 0.000 3.069 195 M HA 0.689 5.150 4.480 -0.031 0.000 0.274 195 M C -0.846 175.537 176.300 0.139 0.000 1.146 195 M CA -0.866 54.504 55.300 0.117 0.000 0.807 195 M CB 0.884 33.545 32.600 0.102 0.000 1.621 195 M HN 0.058 8.348 8.290 -0.000 0.000 0.521 196 G N -0.993 107.886 108.800 0.132 0.000 2.890 196 G HA2 0.448 4.389 3.960 -0.031 0.000 0.189 196 G HA3 0.448 4.389 3.960 -0.031 0.000 0.189 196 G C -1.231 173.803 174.900 0.224 0.000 1.342 196 G CA -0.502 44.700 45.100 0.169 0.000 1.026 196 G HN 0.889 9.179 8.290 -0.000 0.000 0.579 197 H N 1.257 120.414 119.070 0.145 0.000 3.681 197 H HA 0.269 4.806 4.556 -0.032 0.000 0.242 197 H C 0.501 176.024 175.328 0.325 0.000 1.428 197 H CA 0.827 57.011 56.048 0.226 0.000 1.560 197 H CB -0.774 29.106 29.762 0.197 0.000 1.762 197 H HN 0.563 8.843 8.280 -0.000 0.000 0.592 198 E N 0.198 120.529 120.200 0.218 0.000 2.415 198 E HA 0.478 4.809 4.350 -0.031 0.000 0.271 198 E C -1.700 174.924 176.600 0.041 0.000 1.094 198 E CA -1.118 55.324 56.400 0.070 0.000 0.881 198 E CB 1.006 30.726 29.700 0.033 0.000 1.581 198 E HN 0.081 8.441 8.360 -0.000 0.000 0.460 199 V N 0.987 120.850 119.914 -0.086 0.000 2.715 199 V HA 0.642 4.743 4.120 -0.031 0.000 0.310 199 V C -0.514 175.505 176.094 -0.125 0.000 1.054 199 V CA -0.181 62.074 62.300 -0.075 0.000 0.928 199 V CB 1.770 33.550 31.823 -0.072 0.000 1.007 199 V HN 0.803 8.993 8.190 -0.000 0.000 0.437 200 S N 2.840 118.423 115.700 -0.194 0.000 2.568 200 S HA 0.536 4.987 4.470 -0.031 0.000 0.293 200 S C 0.307 174.756 174.600 -0.251 0.000 1.089 200 S CA -0.596 57.469 58.200 -0.223 0.000 0.945 200 S CB 1.842 64.876 63.200 -0.276 0.000 1.077 200 S HN 0.560 8.870 8.310 -0.000 0.000 0.485 201 L N 1.300 122.387 121.223 -0.226 0.000 2.042 201 L HA -0.006 4.315 4.340 -0.031 0.000 0.210 201 L C 2.451 179.017 176.870 -0.507 0.000 1.076 201 L CA 2.117 56.789 54.840 -0.279 0.000 0.749 201 L CB -0.913 41.002 42.059 -0.240 0.000 0.893 201 L HN 1.012 9.242 8.230 -0.000 0.000 0.432 202 E N -0.618 119.311 120.200 -0.451 0.000 2.077 202 E HA -0.294 4.037 4.350 -0.031 0.000 0.193 202 E C 2.077 178.487 176.600 -0.316 0.000 0.989 202 E CA 1.332 57.492 56.400 -0.400 0.000 0.800 202 E CB -0.059 29.549 29.700 -0.154 0.000 0.746 202 E HN 0.707 9.067 8.360 -0.000 0.000 0.452 203 E N 0.303 120.168 120.200 -0.558 0.000 2.058 203 E HA -0.208 4.123 4.350 -0.031 0.000 0.194 203 E C 2.064 178.571 176.600 -0.155 0.000 0.997 203 E CA 1.211 57.227 56.400 -0.640 0.000 0.801 203 E CB 0.006 29.148 29.700 -0.931 0.000 0.746 203 E HN 0.199 8.559 8.360 -0.000 0.000 0.450 204 I N 1.248 121.768 120.570 -0.085 0.000 2.226 204 I HA -0.245 3.906 4.170 -0.031 0.000 0.245 204 I C 2.221 178.462 176.117 0.207 0.000 1.100 204 I CA 1.585 62.942 61.300 0.095 0.000 1.374 204 I CB -1.835 36.227 38.000 0.104 0.000 1.057 204 I HN 0.310 8.520 8.210 -0.000 0.000 0.413 205 H N 0.626 119.703 119.070 0.012 0.000 2.352 205 H HA -0.175 4.362 4.556 -0.032 0.000 0.299 205 H C 1.858 177.229 175.328 0.072 0.000 1.097 205 H CA 1.136 57.207 56.048 0.039 0.000 1.311 205 H CB 0.099 29.874 29.762 0.020 0.000 1.377 205 H HN 0.375 8.655 8.280 -0.000 0.000 0.504 206 D N 0.845 121.353 120.400 0.180 0.000 2.104 206 D HA -0.145 4.476 4.640 -0.031 0.000 0.194 206 D C 2.240 178.681 176.300 0.236 0.000 0.994 206 D CA 1.049 55.141 54.000 0.154 0.000 0.830 206 D CB -0.145 40.693 40.800 0.063 0.000 0.959 206 D HN 0.404 8.774 8.370 -0.000 0.000 0.452 207 I N 1.108 121.804 120.570 0.210 0.000 2.179 207 I HA -0.170 3.981 4.170 -0.031 0.000 0.242 207 I C 2.683 178.992 176.117 0.321 0.000 1.088 207 I CA 1.341 62.785 61.300 0.240 0.000 1.357 207 I CB -0.521 37.619 38.000 0.234 0.000 1.051 207 I HN 0.001 8.211 8.210 -0.000 0.000 0.409 208 G N 0.493 109.451 108.800 0.264 0.000 2.418 208 G HA2 -0.232 3.709 3.960 -0.031 0.000 0.217 208 G HA3 -0.232 3.709 3.960 -0.031 0.000 0.217 208 G C 1.877 176.906 174.900 0.216 0.000 1.158 208 G CA 0.859 46.097 45.100 0.229 0.000 0.771 208 G HN 0.486 8.776 8.290 -0.000 0.000 0.545 209 A N 0.204 123.151 122.820 0.213 0.000 1.851 209 A HA -0.145 4.156 4.320 -0.031 0.000 0.216 209 A C 2.190 179.915 177.584 0.235 0.000 1.195 209 A CA 1.781 53.932 52.037 0.190 0.000 0.622 209 A CB -1.026 18.089 19.000 0.192 0.000 0.831 209 A HN 0.560 8.710 8.150 -0.000 0.000 0.444 210 W N 0.485 121.851 121.300 0.109 0.000 2.321 210 W HA -0.203 4.437 4.660 -0.034 0.000 0.306 210 W C 1.876 178.439 176.519 0.074 0.000 1.217 210 W CA 2.110 59.514 57.345 0.099 0.000 1.257 210 W CB -0.264 29.265 29.460 0.114 0.000 1.145 210 W HN 0.297 8.477 8.180 -0.000 0.000 0.509 211 L N -0.059 121.370 121.223 0.343 0.000 2.005 211 L HA -0.193 4.128 4.340 -0.031 0.000 0.207 211 L C 2.680 179.569 176.870 0.032 0.000 1.072 211 L CA 1.702 56.648 54.840 0.176 0.000 0.744 211 L CB -0.956 41.270 42.059 0.278 0.000 0.895 211 L HN -0.155 8.075 8.230 -0.000 0.000 0.433 212 R N -0.025 120.517 120.500 0.071 0.000 2.154 212 R HA -0.242 4.079 4.340 -0.031 0.000 0.248 212 R C 2.260 178.546 176.300 -0.024 0.000 1.155 212 R CA 1.552 57.671 56.100 0.031 0.000 0.979 212 R CB -0.237 30.090 30.300 0.046 0.000 0.869 212 R HN 0.255 8.525 8.270 -0.000 0.000 0.452 213 K N 0.037 120.399 120.400 -0.062 0.000 2.296 213 K HA -0.038 4.263 4.320 -0.031 0.000 0.200 213 K C 1.520 178.010 176.600 -0.184 0.000 1.048 213 K CA 0.919 57.138 56.287 -0.114 0.000 0.966 213 K CB 0.290 32.709 32.500 -0.135 0.000 0.754 213 K HN 0.105 8.355 8.250 -0.000 0.000 0.466 214 R N -0.898 119.453 120.500 -0.247 0.000 2.373 214 R HA 0.278 4.599 4.340 -0.031 0.000 0.221 214 R C 0.262 176.467 176.300 -0.158 0.000 0.893 214 R CA -0.085 55.851 56.100 -0.272 0.000 1.049 214 R CB 0.689 30.681 30.300 -0.512 0.000 1.119 214 R HN 0.024 8.294 8.270 -0.000 0.000 0.535 215 L N 0.000 121.165 121.223 -0.096 0.000 2.949 215 L HA 0.000 4.321 4.340 -0.031 0.000 0.249 215 L CA 0.000 54.809 54.840 -0.051 0.000 0.813 215 L CB 0.000 42.046 42.059 -0.022 0.000 0.961 215 L HN 0.000 8.230 8.230 -0.000 0.000 0.502