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 3kyn_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSHSMRYFSA AVSRPGRGEP RFIAMGYVDD TQFVRFDSDS ASPRMEPRAP DATA SEQUENCE WVEQEGPEYW EEETRNTKAH AQTDRMNLQT LRGYYNQSEA SSHTLQWMIG DATA SEQUENCE cDLGSDGRLI RGYERYAYDG KDYLALNEDL RSWTAADTAA QISKRKCEAA DATA SEQUENCE NVAEQRRAYL EGTcVEWLHR YLENGKEMLQ RADPPKTHVT HHPVFDYEAT DATA SEQUENCE LRcWALGFYP AEIILTWQRD GEDQTQDVEL VETRPAGDGT FQKWAAVVVP DATA SEQUENCE SGEEQRYTcH VQHEGLPEPL MLRWK 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 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.064 176.300 -0.394 0.000 1.140 1 M CA 0.000 55.154 55.300 -0.243 0.000 0.988 1 M CB 0.000 32.530 32.600 -0.116 0.000 1.302 2 S N 1.565 117.035 115.700 -0.382 0.000 2.610 2 S HA 0.666 5.135 4.470 -0.002 0.000 0.273 2 S C -0.999 173.297 174.600 -0.506 0.000 1.274 2 S CA -0.115 57.905 58.200 -0.300 0.000 1.023 2 S CB 0.634 63.743 63.200 -0.151 0.000 0.962 2 S HN 0.731 9.041 8.310 -0.000 0.000 0.523 3 H N 0.655 119.716 119.070 -0.014 0.000 2.851 3 H HA 0.560 5.115 4.556 -0.002 0.000 0.372 3 H C -0.772 174.566 175.328 0.017 0.000 1.158 3 H CA -0.595 55.449 56.048 -0.006 0.000 1.159 3 H CB 1.815 31.551 29.762 -0.043 0.000 1.757 3 H HN 0.676 8.956 8.280 -0.000 0.000 0.546 4 S N 1.839 117.659 115.700 0.201 0.000 2.556 4 S HA 0.603 5.072 4.470 -0.002 0.000 0.271 4 S C -0.733 173.987 174.600 0.200 0.000 1.135 4 S CA -0.971 57.328 58.200 0.165 0.000 0.858 4 S CB 2.698 65.978 63.200 0.133 0.000 1.114 4 S HN 0.581 8.891 8.310 -0.000 0.000 0.468 5 M N 2.380 122.107 119.600 0.212 0.000 2.393 5 M HA 0.645 5.124 4.480 -0.002 0.000 0.316 5 M C -1.420 175.017 176.300 0.229 0.000 1.087 5 M CA -0.421 55.048 55.300 0.282 0.000 0.937 5 M CB 1.470 34.288 32.600 0.363 0.000 1.668 5 M HN 0.760 9.050 8.290 -0.000 0.000 0.438 6 R N 3.528 124.142 120.500 0.189 0.000 2.628 6 R HA 0.436 4.774 4.340 -0.002 0.000 0.288 6 R C -2.087 174.123 176.300 -0.150 0.000 0.980 6 R CA -0.556 55.498 56.100 -0.076 0.000 0.891 6 R CB 1.899 32.034 30.300 -0.274 0.000 1.188 6 R HN 0.729 8.999 8.270 -0.000 0.000 0.450 7 Y N 1.716 121.862 120.300 -0.257 0.000 2.377 7 Y HA 0.502 5.051 4.550 -0.002 0.000 0.339 7 Y C -0.157 175.439 175.900 -0.506 0.000 1.011 7 Y CA -0.386 57.660 58.100 -0.089 0.000 1.093 7 Y CB 1.514 40.069 38.460 0.158 0.000 1.201 7 Y HN 0.398 8.678 8.280 -0.000 0.000 0.455 8 F N 0.925 120.978 119.950 0.172 0.000 2.593 8 F HA 0.746 5.272 4.527 -0.002 0.000 0.320 8 F C -0.109 175.871 175.800 0.300 0.000 1.060 8 F CA -0.846 57.226 58.000 0.120 0.000 0.940 8 F CB 2.346 41.367 39.000 0.036 0.000 1.268 8 F HN 0.383 8.683 8.300 -0.000 0.000 0.475 9 S N 0.878 116.878 115.700 0.501 0.000 2.588 9 S HA 0.928 5.397 4.470 -0.002 0.000 0.269 9 S C -1.668 172.994 174.600 0.103 0.000 1.157 9 S CA -0.711 57.565 58.200 0.127 0.000 0.824 9 S CB 1.789 64.934 63.200 -0.091 0.000 1.126 9 S HN 1.321 9.631 8.310 -0.000 0.000 0.464 10 A N 0.468 123.213 122.820 -0.125 0.000 2.437 10 A HA 0.901 5.220 4.320 -0.002 0.000 0.293 10 A C -0.529 177.082 177.584 0.045 0.000 1.038 10 A CA -0.301 51.756 52.037 0.033 0.000 0.708 10 A CB 1.154 20.166 19.000 0.020 0.000 1.251 10 A HN 2.007 10.157 8.150 -0.000 0.000 0.409 11 A N 1.776 124.730 122.820 0.224 0.000 2.319 11 A HA 0.699 5.018 4.320 -0.002 0.000 0.310 11 A C -0.969 176.734 177.584 0.198 0.000 1.152 11 A CA -0.473 51.742 52.037 0.297 0.000 0.783 11 A CB 1.041 20.276 19.000 0.392 0.000 1.184 11 A HN 1.372 9.522 8.150 -0.000 0.000 0.474 12 V N 3.263 123.269 119.914 0.152 0.000 2.380 12 V HA 0.371 4.489 4.120 -0.002 0.000 0.286 12 V C 0.476 176.624 176.094 0.090 0.000 1.015 12 V CA -0.435 61.926 62.300 0.101 0.000 0.834 12 V CB 1.309 33.169 31.823 0.061 0.000 1.009 12 V HN 1.051 9.241 8.190 -0.000 0.000 0.428 13 S N 4.965 120.722 115.700 0.094 0.000 2.576 13 S HA 0.589 5.058 4.470 -0.002 0.000 0.276 13 S C 0.143 174.764 174.600 0.036 0.000 1.339 13 S CA -0.676 57.571 58.200 0.078 0.000 1.039 13 S CB 0.598 63.865 63.200 0.112 0.000 0.902 13 S HN 0.902 9.212 8.310 -0.000 0.000 0.516 14 R N 0.130 120.648 120.500 0.031 0.000 2.754 14 R HA 0.379 4.718 4.340 -0.002 0.000 0.255 14 R C -3.415 172.893 176.300 0.013 0.000 1.723 14 R CA -1.616 54.491 56.100 0.011 0.000 1.596 14 R CB -0.031 30.276 30.300 0.012 0.000 1.424 14 R HN 0.342 8.612 8.270 -0.000 0.000 0.662 15 P HA 0.063 4.483 4.420 -0.000 0.000 0.264 15 P C 0.835 178.140 177.300 0.009 0.000 1.193 15 P CA 1.209 64.319 63.100 0.017 0.000 0.763 15 P CB 0.940 32.653 31.700 0.021 0.000 0.810 16 G N 2.963 111.769 108.800 0.010 0.000 2.143 16 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.248 16 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.248 16 G C 0.601 175.504 174.900 0.005 0.000 0.991 16 G CA -0.180 44.925 45.100 0.007 0.000 0.689 16 G HN 0.602 8.892 8.290 -0.000 0.000 0.522 17 R N -0.656 119.849 120.500 0.008 0.000 2.569 17 R HA 0.485 4.824 4.340 -0.002 0.000 0.422 17 R C 0.953 177.260 176.300 0.011 0.000 0.980 17 R CA 0.353 56.457 56.100 0.007 0.000 1.164 17 R CB 0.999 31.302 30.300 0.005 0.000 1.520 17 R HN 1.553 9.823 8.270 -0.000 0.000 0.567 18 G N 1.292 110.100 108.800 0.013 0.000 2.498 18 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.651 18 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.651 18 G C -0.868 174.047 174.900 0.024 0.000 1.284 18 G CA -0.944 44.166 45.100 0.016 0.000 0.950 18 G HN 0.155 8.445 8.290 -0.000 0.000 0.511 19 E N 0.881 121.097 120.200 0.027 0.000 2.459 19 E HA 0.209 4.558 4.350 -0.002 0.000 0.264 19 E C -1.873 174.758 176.600 0.051 0.000 1.055 19 E CA -0.664 55.757 56.400 0.035 0.000 0.957 19 E CB 0.312 30.033 29.700 0.035 0.000 0.952 19 E HN 0.214 8.574 8.360 -0.000 0.000 0.448 20 P HA -0.060 4.360 4.420 -0.000 0.000 0.265 20 P C -0.609 176.763 177.300 0.119 0.000 1.193 20 P CA 0.461 63.614 63.100 0.088 0.000 0.765 20 P CB 0.386 32.146 31.700 0.101 0.000 0.823 21 R N 3.166 123.736 120.500 0.116 0.000 2.537 21 R HA 0.246 4.585 4.340 -0.002 0.000 0.280 21 R C -0.914 175.528 176.300 0.236 0.000 1.058 21 R CA 0.063 56.248 56.100 0.141 0.000 1.057 21 R CB -0.070 30.281 30.300 0.085 0.000 0.973 21 R HN 0.388 8.658 8.270 -0.000 0.000 0.438 22 F N 6.590 126.599 119.950 0.098 0.000 2.529 22 F HA 0.439 4.965 4.527 -0.002 0.000 0.320 22 F C -0.741 175.168 175.800 0.182 0.000 1.118 22 F CA -1.010 57.059 58.000 0.115 0.000 0.915 22 F CB 1.107 40.161 39.000 0.089 0.000 1.161 22 F HN 0.410 8.710 8.300 -0.000 0.000 0.445 23 I N 3.314 123.607 120.570 -0.461 0.000 2.545 23 I HA 0.965 5.134 4.170 -0.002 0.000 0.292 23 I C -1.370 174.390 176.117 -0.594 0.000 1.040 23 I CA -0.823 60.301 61.300 -0.294 0.000 1.068 23 I CB 1.755 39.684 38.000 -0.119 0.000 1.251 23 I HN 0.733 8.943 8.210 -0.000 0.000 0.424 24 A N 8.009 130.689 122.820 -0.234 0.000 2.498 24 A HA 0.978 5.297 4.320 -0.002 0.000 0.298 24 A C -0.599 177.043 177.584 0.096 0.000 1.075 24 A CA -0.685 51.286 52.037 -0.110 0.000 0.714 24 A CB 2.232 21.184 19.000 -0.079 0.000 1.299 24 A HN 0.933 9.083 8.150 -0.000 0.000 0.407 25 M N 1.048 120.760 119.600 0.187 0.000 2.426 25 M HA 0.649 5.128 4.480 -0.002 0.000 0.289 25 M C -0.591 175.776 176.300 0.112 0.000 1.168 25 M CA -0.241 55.119 55.300 0.100 0.000 0.933 25 M CB 1.225 33.888 32.600 0.106 0.000 1.750 25 M HN 1.073 9.363 8.290 -0.000 0.000 0.494 26 G N 1.955 110.540 108.800 -0.360 0.000 2.416 26 G HA2 0.738 4.697 3.960 -0.002 0.000 0.329 26 G HA3 0.738 4.697 3.960 -0.002 0.000 0.329 26 G C -2.252 172.384 174.900 -0.439 0.000 1.173 26 G CA -0.419 44.209 45.100 -0.785 0.000 0.929 26 G HN 0.699 8.989 8.290 -0.000 0.000 0.475 27 Y N 0.127 120.475 120.300 0.081 0.000 2.499 27 Y HA 0.498 5.047 4.550 -0.002 0.000 0.347 27 Y C -0.155 176.037 175.900 0.485 0.000 0.987 27 Y CA -0.975 57.353 58.100 0.380 0.000 1.044 27 Y CB 3.014 41.673 38.460 0.333 0.000 1.245 27 Y HN 0.348 8.628 8.280 -0.000 0.000 0.461 28 V N 3.998 124.271 119.914 0.599 0.000 2.357 28 V HA 0.251 4.369 4.120 -0.002 0.000 0.284 28 V C -0.194 176.137 176.094 0.395 0.000 1.018 28 V CA -0.688 61.836 62.300 0.374 0.000 0.841 28 V CB 0.666 32.582 31.823 0.154 0.000 0.991 28 V HN 0.988 9.178 8.190 -0.000 0.000 0.437 29 D N 3.255 123.856 120.400 0.335 0.000 3.845 29 D HA -0.238 4.400 4.640 -0.002 0.000 0.144 29 D C 0.553 177.059 176.300 0.343 0.000 0.889 29 D CA 1.769 55.942 54.000 0.288 0.000 1.096 29 D CB -0.315 40.668 40.800 0.305 0.000 0.515 29 D HN 0.688 9.058 8.370 -0.000 0.000 0.525 30 D N 0.681 121.317 120.400 0.393 0.000 2.368 30 D HA 0.106 4.745 4.640 -0.002 0.000 0.218 30 D C -0.188 176.497 176.300 0.641 0.000 1.112 30 D CA 0.441 54.719 54.000 0.463 0.000 0.834 30 D CB 0.320 41.347 40.800 0.378 0.000 0.953 30 D HN 0.051 8.421 8.370 -0.000 0.000 0.505 31 T N 1.124 116.038 114.554 0.599 0.000 2.756 31 T HA 0.144 4.493 4.350 -0.002 0.000 0.290 31 T C 0.065 174.918 174.700 0.254 0.000 0.985 31 T CA -0.464 61.898 62.100 0.437 0.000 0.955 31 T CB 2.288 71.423 68.868 0.445 0.000 0.930 31 T HN -0.045 8.195 8.240 -0.000 0.000 0.451 32 Q N 2.835 122.543 119.800 -0.152 0.000 2.297 32 Q HA 0.236 4.575 4.340 -0.002 0.000 0.267 32 Q C -0.064 175.802 176.000 -0.223 0.000 1.006 32 Q CA -0.117 55.305 55.803 -0.636 0.000 0.896 32 Q CB 0.272 28.570 28.738 -0.735 0.000 1.186 32 Q HN 0.841 9.111 8.270 -0.000 0.000 0.392 33 F N 2.480 122.214 119.950 -0.361 0.000 2.746 33 F HA 0.497 5.023 4.527 -0.002 0.000 0.313 33 F C -0.599 175.051 175.800 -0.251 0.000 1.095 33 F CA -0.440 57.301 58.000 -0.430 0.000 1.224 33 F CB 0.702 39.289 39.000 -0.689 0.000 1.060 33 F HN 0.254 8.554 8.300 -0.000 0.000 0.584 34 V N 1.031 120.527 119.914 -0.697 0.000 3.012 34 V HA 0.752 4.870 4.120 -0.002 0.000 0.307 34 V C -1.630 174.336 176.094 -0.214 0.000 1.166 34 V CA -0.716 61.370 62.300 -0.357 0.000 0.974 34 V CB 2.431 34.012 31.823 -0.403 0.000 1.040 34 V HN 0.341 8.531 8.190 -0.000 0.000 0.428 35 R N 3.730 124.222 120.500 -0.015 0.000 2.561 35 R HA 0.597 4.936 4.340 -0.002 0.000 0.266 35 R C -2.427 173.956 176.300 0.139 0.000 1.091 35 R CA -0.371 55.743 56.100 0.023 0.000 0.927 35 R CB 1.705 31.976 30.300 -0.048 0.000 1.240 35 R HN 0.654 8.924 8.270 -0.000 0.000 0.449 36 F N 3.201 123.154 119.950 0.005 0.000 2.540 36 F HA 0.588 5.113 4.527 -0.002 0.000 0.317 36 F C -1.418 174.385 175.800 0.005 0.000 1.104 36 F CA -0.526 57.494 58.000 0.034 0.000 0.913 36 F CB 2.042 41.097 39.000 0.092 0.000 1.170 36 F HN 0.529 8.829 8.300 -0.000 0.000 0.450 37 D N 2.809 122.950 120.400 -0.431 0.000 2.736 37 D HA 0.143 4.782 4.640 -0.002 0.000 0.243 37 D C 0.328 176.413 176.300 -0.358 0.000 1.304 37 D CA -0.081 53.788 54.000 -0.218 0.000 0.934 37 D CB 2.080 42.799 40.800 -0.134 0.000 1.382 37 D HN 0.552 8.922 8.370 -0.000 0.000 0.571 38 S N 2.228 117.891 115.700 -0.062 0.000 2.507 38 S HA -0.123 4.346 4.470 -0.002 0.000 0.235 38 S C 0.900 175.480 174.600 -0.034 0.000 0.988 38 S CA 0.688 58.891 58.200 0.004 0.000 0.944 38 S CB 0.152 63.500 63.200 0.247 0.000 0.762 38 S HN 0.348 8.658 8.310 -0.000 0.000 0.526 39 D N 1.286 121.661 120.400 -0.043 0.000 2.349 39 D HA 0.222 4.861 4.640 -0.002 0.000 0.215 39 D C 1.556 177.814 176.300 -0.070 0.000 1.016 39 D CA 0.265 54.241 54.000 -0.040 0.000 0.870 39 D CB -0.165 40.621 40.800 -0.023 0.000 0.917 39 D HN 0.357 8.727 8.370 -0.000 0.000 0.524 40 S N 0.135 115.764 115.700 -0.118 0.000 2.440 40 S HA -0.100 4.368 4.470 -0.002 0.000 0.238 40 S C 1.639 176.183 174.600 -0.093 0.000 1.010 40 S CA 1.055 59.182 58.200 -0.121 0.000 0.972 40 S CB 0.092 63.183 63.200 -0.181 0.000 0.774 40 S HN 0.480 8.790 8.310 -0.000 0.000 0.501 41 A N -0.470 122.302 122.820 -0.081 0.000 3.614 41 A HA -0.135 4.184 4.320 -0.002 0.000 0.246 41 A C 0.933 178.482 177.584 -0.059 0.000 1.044 41 A CA 0.864 52.867 52.037 -0.057 0.000 1.548 41 A CB -1.692 17.278 19.000 -0.050 0.000 0.974 41 A HN 0.929 9.079 8.150 -0.000 0.000 0.844 42 S N 0.138 115.788 115.700 -0.084 0.000 2.777 42 S HA 0.521 4.990 4.470 -0.002 0.000 0.140 42 S C -3.172 171.353 174.600 -0.125 0.000 1.233 42 S CA -0.184 57.971 58.200 -0.075 0.000 1.157 42 S CB 0.266 63.432 63.200 -0.057 0.000 1.600 42 S HN 0.236 8.546 8.310 -0.000 0.000 0.432 43 P HA 0.269 4.689 4.420 -0.000 0.000 0.261 43 P C -0.392 176.755 177.300 -0.256 0.000 1.183 43 P CA 0.358 63.208 63.100 -0.415 0.000 0.761 43 P CB 0.159 31.606 31.700 -0.422 0.000 0.785 44 R N 1.747 122.068 120.500 -0.298 0.000 2.712 44 R HA 0.646 4.985 4.340 -0.002 0.000 0.272 44 R C -1.093 175.332 176.300 0.209 0.000 1.032 44 R CA -1.274 54.888 56.100 0.102 0.000 0.874 44 R CB 0.510 30.858 30.300 0.080 0.000 1.256 44 R HN 0.158 8.428 8.270 -0.000 0.000 0.468 45 M N 1.813 121.663 119.600 0.417 0.000 2.217 45 M HA 0.218 4.697 4.480 -0.002 0.000 0.352 45 M C -0.985 175.499 176.300 0.307 0.000 1.376 45 M CA 0.976 56.521 55.300 0.409 0.000 1.107 45 M CB 0.464 33.319 32.600 0.425 0.000 1.723 45 M HN 0.591 8.881 8.290 -0.000 0.000 0.461 46 E N 6.197 126.504 120.200 0.180 0.000 2.256 46 E HA 0.503 4.852 4.350 -0.002 0.000 0.267 46 E C -2.540 174.069 176.600 0.015 0.000 0.892 46 E CA -2.246 54.127 56.400 -0.045 0.000 0.775 46 E CB 1.252 30.894 29.700 -0.097 0.000 1.207 46 E HN 0.439 8.799 8.360 -0.000 0.000 0.420 47 P HA -0.006 4.413 4.420 -0.000 0.000 0.265 47 P C -0.049 177.204 177.300 -0.079 0.000 1.193 47 P CA 0.083 63.182 63.100 -0.002 0.000 0.765 47 P CB 0.629 32.251 31.700 -0.130 0.000 0.823 48 R N 0.915 121.349 120.500 -0.110 0.000 2.531 48 R HA 0.471 4.810 4.340 -0.002 0.000 0.316 48 R C 0.064 176.243 176.300 -0.201 0.000 0.955 48 R CA -0.104 55.903 56.100 -0.154 0.000 1.120 48 R CB 0.907 31.101 30.300 -0.177 0.000 1.361 48 R HN 0.520 8.790 8.270 -0.000 0.000 0.534 49 A N 0.993 123.622 122.820 -0.319 0.000 2.498 49 A HA 0.609 4.928 4.320 -0.002 0.000 0.298 49 A C -2.238 175.058 177.584 -0.480 0.000 1.075 49 A CA -1.233 50.519 52.037 -0.475 0.000 0.714 49 A CB 1.858 20.323 19.000 -0.892 0.000 1.299 49 A HN -0.198 7.952 8.150 -0.000 0.000 0.407 50 P HA -0.091 4.329 4.420 -0.000 0.000 0.221 50 P C 1.260 178.537 177.300 -0.039 0.000 1.150 50 P CA 1.186 64.223 63.100 -0.104 0.000 0.800 50 P CB -0.110 31.596 31.700 0.010 0.000 0.787 51 W N -0.953 120.384 121.300 0.061 0.000 2.699 51 W HA 0.146 4.805 4.660 -0.002 0.000 0.249 51 W C 1.066 177.642 176.519 0.096 0.000 1.280 51 W CA 0.042 57.422 57.345 0.060 0.000 1.345 51 W CB -1.295 28.181 29.460 0.028 0.000 1.128 51 W HN -0.196 7.984 8.180 -0.000 0.000 0.642 52 V N 1.470 121.331 119.914 -0.088 0.000 3.506 52 V HA -0.047 4.072 4.120 -0.002 0.000 0.263 52 V C 1.931 178.202 176.094 0.295 0.000 1.203 52 V CA 1.132 63.486 62.300 0.091 0.000 1.133 52 V CB -0.031 31.776 31.823 -0.027 0.000 0.802 52 V HN -0.008 8.182 8.190 -0.000 0.000 0.459 53 E N 0.316 120.649 120.200 0.222 0.000 2.409 53 E HA -0.242 4.107 4.350 -0.002 0.000 0.198 53 E C 1.868 178.625 176.600 0.263 0.000 1.024 53 E CA 1.108 57.660 56.400 0.254 0.000 0.861 53 E CB 0.039 29.787 29.700 0.080 0.000 0.788 53 E HN 0.847 9.207 8.360 -0.000 0.000 0.521 54 Q N 0.777 120.710 119.800 0.221 0.000 2.444 54 Q HA 0.029 4.368 4.340 -0.002 0.000 0.206 54 Q C 0.074 176.187 176.000 0.187 0.000 0.948 54 Q CA 0.290 56.202 55.803 0.182 0.000 0.946 54 Q CB 0.179 29.004 28.738 0.144 0.000 1.027 54 Q HN 0.000 8.270 8.270 -0.000 0.000 0.513 55 E N 1.782 122.105 120.200 0.205 0.000 2.373 55 E HA 0.211 4.559 4.350 -0.002 0.000 0.267 55 E C 0.223 177.016 176.600 0.322 0.000 1.032 55 E CA 0.319 56.755 56.400 0.060 0.000 0.889 55 E CB 0.984 30.314 29.700 -0.617 0.000 0.984 55 E HN 0.367 8.727 8.360 -0.000 0.000 0.425 56 G N 2.572 111.524 108.800 0.252 0.000 2.621 56 G HA2 0.161 4.119 3.960 -0.002 0.000 0.271 56 G HA3 0.161 4.119 3.960 -0.002 0.000 0.271 56 G C -1.436 173.724 174.900 0.433 0.000 1.236 56 G CA -0.910 44.374 45.100 0.307 0.000 0.958 56 G HN 0.308 8.598 8.290 -0.000 0.000 0.512 57 P HA -0.093 4.327 4.420 -0.000 0.000 0.219 57 P C 1.186 178.664 177.300 0.296 0.000 1.146 57 P CA 1.023 64.337 63.100 0.357 0.000 0.808 57 P CB 0.280 32.111 31.700 0.218 0.000 0.779 58 E N -0.538 119.804 120.200 0.236 0.000 2.072 58 E HA -0.199 4.149 4.350 -0.002 0.000 0.191 58 E C 2.190 178.886 176.600 0.160 0.000 0.985 58 E CA 1.017 57.523 56.400 0.177 0.000 0.801 58 E CB -1.320 28.474 29.700 0.157 0.000 0.750 58 E HN 0.394 8.754 8.360 -0.000 0.000 0.452 59 Y N 0.335 120.655 120.300 0.033 0.000 2.128 59 Y HA -0.250 4.299 4.550 -0.002 0.000 0.284 59 Y C 2.040 177.829 175.900 -0.185 0.000 1.154 59 Y CA 1.840 59.864 58.100 -0.127 0.000 1.149 59 Y CB -0.510 37.820 38.460 -0.217 0.000 0.976 59 Y HN -0.027 8.253 8.280 -0.000 0.000 0.505 60 W N 0.868 122.306 121.300 0.230 0.000 2.388 60 W HA -0.075 4.584 4.660 -0.002 0.000 0.294 60 W C 2.335 178.868 176.519 0.024 0.000 1.212 60 W CA 1.402 58.816 57.345 0.114 0.000 1.271 60 W CB -0.324 29.251 29.460 0.191 0.000 1.126 60 W HN 0.093 8.273 8.180 -0.000 0.000 0.535 61 E N 0.275 120.615 120.200 0.233 0.000 2.051 61 E HA -0.261 4.088 4.350 -0.002 0.000 0.192 61 E C 1.913 178.539 176.600 0.044 0.000 0.991 61 E CA 1.568 58.049 56.400 0.135 0.000 0.799 61 E CB -0.266 29.506 29.700 0.121 0.000 0.748 61 E HN 0.369 8.729 8.360 -0.000 0.000 0.449 62 E N 0.500 120.685 120.200 -0.025 0.000 2.106 62 E HA -0.198 4.150 4.350 -0.002 0.000 0.192 62 E C 1.830 178.333 176.600 -0.162 0.000 0.984 62 E CA 0.794 57.138 56.400 -0.093 0.000 0.806 62 E CB 0.246 29.877 29.700 -0.115 0.000 0.750 62 E HN 0.096 8.456 8.360 -0.000 0.000 0.458 63 E N 0.027 120.069 120.200 -0.262 0.000 2.072 63 E HA -0.120 4.229 4.350 -0.002 0.000 0.191 63 E C 2.166 178.726 176.600 -0.067 0.000 0.985 63 E CA 1.404 57.647 56.400 -0.261 0.000 0.801 63 E CB -0.481 28.958 29.700 -0.435 0.000 0.750 63 E HN 0.253 8.613 8.360 -0.000 0.000 0.452 64 T N 1.075 115.659 114.554 0.050 0.000 2.821 64 T HA -0.119 4.229 4.350 -0.002 0.000 0.267 64 T C 1.940 176.668 174.700 0.046 0.000 1.046 64 T CA 1.166 63.348 62.100 0.136 0.000 1.139 64 T CB -0.000 68.993 68.868 0.209 0.000 0.871 64 T HN 0.116 8.356 8.240 -0.000 0.000 0.454 65 R N 0.990 121.492 120.500 0.004 0.000 2.066 65 R HA -0.063 4.275 4.340 -0.002 0.000 0.232 65 R C 2.144 178.397 176.300 -0.078 0.000 1.131 65 R CA 1.356 57.442 56.100 -0.024 0.000 0.955 65 R CB -0.134 30.153 30.300 -0.022 0.000 0.851 65 R HN 0.247 8.517 8.270 -0.000 0.000 0.432 66 N N -0.349 118.288 118.700 -0.106 0.000 2.188 66 N HA -0.095 4.644 4.740 -0.002 0.000 0.184 66 N C 1.559 176.971 175.510 -0.163 0.000 1.018 66 N CA 1.737 54.705 53.050 -0.138 0.000 0.858 66 N CB -0.405 37.985 38.487 -0.160 0.000 0.989 66 N HN 0.225 8.605 8.380 -0.000 0.000 0.426 67 T N 1.042 115.481 114.554 -0.192 0.000 2.857 67 T HA 0.006 4.355 4.350 -0.002 0.000 0.266 67 T C 1.835 176.233 174.700 -0.504 0.000 1.048 67 T CA 0.849 62.763 62.100 -0.310 0.000 1.139 67 T CB 0.086 68.735 68.868 -0.365 0.000 0.874 67 T HN 0.242 8.482 8.240 -0.000 0.000 0.455 68 K N 1.210 121.377 120.400 -0.388 0.000 2.057 68 K HA -0.006 4.313 4.320 -0.002 0.000 0.207 68 K C 2.673 179.123 176.600 -0.250 0.000 1.049 68 K CA 1.198 57.323 56.287 -0.270 0.000 0.931 68 K CB -0.314 32.156 32.500 -0.050 0.000 0.714 68 K HN 0.273 8.523 8.250 -0.000 0.000 0.440 69 A N 0.766 123.468 122.820 -0.196 0.000 1.908 69 A HA -0.260 4.059 4.320 -0.002 0.000 0.218 69 A C 1.950 179.400 177.584 -0.225 0.000 1.181 69 A CA 1.854 53.783 52.037 -0.180 0.000 0.627 69 A CB -0.862 18.050 19.000 -0.147 0.000 0.818 69 A HN 0.501 8.651 8.150 -0.000 0.000 0.445 70 H N -0.902 117.919 119.070 -0.416 0.000 2.357 70 H HA 0.055 4.610 4.556 -0.002 0.000 0.301 70 H C 2.340 177.167 175.328 -0.834 0.000 1.082 70 H CA 0.991 56.730 56.048 -0.515 0.000 1.342 70 H CB -0.056 29.438 29.762 -0.446 0.000 1.389 70 H HN 0.461 8.741 8.280 -0.000 0.000 0.511 71 A N 1.017 123.170 122.820 -1.111 0.000 1.873 71 A HA -0.258 4.061 4.320 -0.002 0.000 0.218 71 A C 2.318 179.536 177.584 -0.609 0.000 1.193 71 A CA 1.896 53.058 52.037 -1.459 0.000 0.629 71 A CB -0.580 17.882 19.000 -0.898 0.000 0.826 71 A HN 0.510 8.660 8.150 -0.000 0.000 0.447 72 Q N -0.692 118.888 119.800 -0.367 0.000 2.124 72 Q HA -0.124 4.215 4.340 -0.002 0.000 0.202 72 Q C 2.230 178.117 176.000 -0.188 0.000 0.977 72 Q CA 2.026 57.702 55.803 -0.212 0.000 0.850 72 Q CB -1.119 27.527 28.738 -0.154 0.000 0.901 72 Q HN 0.710 8.980 8.270 -0.000 0.000 0.429 73 T N 1.437 115.866 114.554 -0.209 0.000 2.821 73 T HA -0.111 4.238 4.350 -0.002 0.000 0.267 73 T C 1.151 175.765 174.700 -0.144 0.000 1.046 73 T CA 1.423 63.417 62.100 -0.176 0.000 1.139 73 T CB -0.116 68.628 68.868 -0.207 0.000 0.871 73 T HN 0.166 8.406 8.240 -0.000 0.000 0.454 74 D N 0.562 120.888 120.400 -0.122 0.000 2.249 74 D HA 0.073 4.712 4.640 -0.002 0.000 0.205 74 D C 2.344 178.633 176.300 -0.017 0.000 0.962 74 D CA 0.450 54.447 54.000 -0.005 0.000 0.860 74 D CB -0.074 40.842 40.800 0.193 0.000 0.955 74 D HN 0.280 8.650 8.370 -0.000 0.000 0.505 75 R N -0.239 120.220 120.500 -0.068 0.000 2.096 75 R HA -0.100 4.239 4.340 -0.002 0.000 0.235 75 R C 1.981 178.245 176.300 -0.060 0.000 1.127 75 R CA 0.948 57.026 56.100 -0.037 0.000 0.968 75 R CB -0.192 30.080 30.300 -0.047 0.000 0.861 75 R HN 0.129 8.399 8.270 -0.000 0.000 0.440 76 M N 1.173 120.716 119.600 -0.094 0.000 2.175 76 M HA -0.066 4.413 4.480 -0.002 0.000 0.264 76 M C 1.320 177.529 176.300 -0.151 0.000 1.063 76 M CA 1.577 56.809 55.300 -0.114 0.000 1.119 76 M CB -0.329 32.200 32.600 -0.119 0.000 1.377 76 M HN -0.033 8.257 8.290 -0.000 0.000 0.415 77 N N 0.127 118.731 118.700 -0.161 0.000 2.166 77 N HA -0.088 4.651 4.740 -0.002 0.000 0.186 77 N C 1.781 177.144 175.510 -0.246 0.000 1.019 77 N CA 1.292 54.203 53.050 -0.233 0.000 0.856 77 N CB -0.480 37.861 38.487 -0.244 0.000 0.993 77 N HN 0.405 8.785 8.380 -0.000 0.000 0.426 78 L N 0.904 122.057 121.223 -0.117 0.000 2.042 78 L HA -0.221 4.118 4.340 -0.002 0.000 0.210 78 L C 2.593 179.397 176.870 -0.110 0.000 1.076 78 L CA 1.319 56.130 54.840 -0.049 0.000 0.749 78 L CB -0.386 41.712 42.059 0.066 0.000 0.893 78 L HN 0.259 8.489 8.230 -0.000 0.000 0.432 79 Q N -0.603 119.126 119.800 -0.119 0.000 2.050 79 Q HA -0.193 4.146 4.340 -0.002 0.000 0.202 79 Q C 2.096 177.956 176.000 -0.234 0.000 0.980 79 Q CA 2.270 57.996 55.803 -0.128 0.000 0.840 79 Q CB 0.035 28.711 28.738 -0.103 0.000 0.898 79 Q HN 0.418 8.688 8.270 -0.000 0.000 0.424 80 T N 1.424 115.780 114.554 -0.330 0.000 2.708 80 T HA -0.119 4.230 4.350 -0.002 0.000 0.266 80 T C 1.721 175.888 174.700 -0.887 0.000 1.037 80 T CA 1.184 62.955 62.100 -0.548 0.000 1.146 80 T CB -0.140 68.405 68.868 -0.538 0.000 0.865 80 T HN 0.249 8.489 8.240 -0.000 0.000 0.435 81 L N 0.499 121.271 121.223 -0.751 0.000 2.156 81 L HA 0.037 4.375 4.340 -0.002 0.000 0.208 81 L C 2.826 179.473 176.870 -0.372 0.000 1.095 81 L CA 1.049 55.439 54.840 -0.750 0.000 0.770 81 L CB -0.667 40.814 42.059 -0.964 0.000 0.914 81 L HN 0.212 8.442 8.230 -0.000 0.000 0.439 82 R N 0.730 121.077 120.500 -0.255 0.000 2.091 82 R HA -0.160 4.179 4.340 -0.002 0.000 0.238 82 R C 2.238 178.509 176.300 -0.048 0.000 1.136 82 R CA 1.668 57.711 56.100 -0.096 0.000 0.959 82 R CB -0.381 29.881 30.300 -0.063 0.000 0.856 82 R HN 0.357 8.627 8.270 -0.000 0.000 0.437 83 G N -0.165 108.555 108.800 -0.133 0.000 2.433 83 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.216 83 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.216 83 G C 0.969 175.871 174.900 0.003 0.000 1.186 83 G CA 0.662 45.717 45.100 -0.075 0.000 0.779 83 G HN 0.299 8.589 8.290 -0.000 0.000 0.543 84 Y N 0.137 120.325 120.300 -0.188 0.000 2.193 84 Y HA -0.124 4.425 4.550 -0.002 0.000 0.285 84 Y C 2.349 178.032 175.900 -0.361 0.000 1.166 84 Y CA 0.427 58.332 58.100 -0.324 0.000 1.181 84 Y CB -0.943 37.200 38.460 -0.528 0.000 0.976 84 Y HN 0.341 8.621 8.280 -0.000 0.000 0.520 85 Y N -0.887 119.488 120.300 0.124 0.000 2.466 85 Y HA 0.115 4.664 4.550 -0.002 0.000 0.272 85 Y C 0.963 176.901 175.900 0.064 0.000 1.169 85 Y CA -0.074 58.083 58.100 0.094 0.000 1.285 85 Y CB -0.357 38.168 38.460 0.109 0.000 1.078 85 Y HN 0.044 8.324 8.280 -0.000 0.000 0.523 86 N N 1.649 120.437 118.700 0.147 0.000 2.727 86 N HA -0.221 4.518 4.740 -0.002 0.000 0.251 86 N C -0.939 174.639 175.510 0.113 0.000 1.040 86 N CA 0.512 53.622 53.050 0.101 0.000 0.712 86 N CB -1.006 37.531 38.487 0.083 0.000 0.912 86 N HN 0.494 8.874 8.380 -0.000 0.000 0.545 87 Q N -0.412 119.457 119.800 0.116 0.000 2.205 87 Q HA 0.527 4.866 4.340 -0.002 0.000 0.249 87 Q C 0.403 176.471 176.000 0.113 0.000 0.948 87 Q CA -0.610 55.269 55.803 0.128 0.000 0.895 87 Q CB 1.105 29.915 28.738 0.120 0.000 1.249 87 Q HN 0.502 8.772 8.270 -0.000 0.000 0.458 88 S N -0.079 115.699 115.700 0.130 0.000 2.601 88 S HA 0.100 4.569 4.470 -0.002 0.000 0.271 88 S C 0.541 175.206 174.600 0.107 0.000 1.305 88 S CA -0.594 57.663 58.200 0.096 0.000 1.022 88 S CB 0.952 64.198 63.200 0.075 0.000 0.940 88 S HN 0.662 8.972 8.310 -0.000 0.000 0.525 89 E N 1.325 121.568 120.200 0.072 0.000 2.204 89 E HA -0.108 4.241 4.350 -0.002 0.000 0.195 89 E C 2.021 178.658 176.600 0.062 0.000 0.990 89 E CA 1.062 57.501 56.400 0.065 0.000 0.821 89 E CB -0.351 29.372 29.700 0.039 0.000 0.750 89 E HN 0.845 9.205 8.360 -0.000 0.000 0.477 90 A N 1.538 124.389 122.820 0.051 0.000 2.119 90 A HA -0.043 4.275 4.320 -0.002 0.000 0.217 90 A C 1.416 179.013 177.584 0.021 0.000 1.153 90 A CA 0.499 52.555 52.037 0.032 0.000 0.692 90 A CB -0.134 18.879 19.000 0.023 0.000 0.799 90 A HN 0.241 8.391 8.150 -0.000 0.000 0.458 91 S N -0.834 114.892 115.700 0.043 0.000 2.617 91 S HA 0.619 5.088 4.470 -0.002 0.000 0.283 91 S C -0.060 174.463 174.600 -0.128 0.000 1.189 91 S CA -0.463 57.715 58.200 -0.036 0.000 1.036 91 S CB 1.456 64.663 63.200 0.011 0.000 1.014 91 S HN 0.119 8.429 8.310 -0.000 0.000 0.522 92 S N 1.768 117.269 115.700 -0.332 0.000 2.565 92 S HA 0.587 5.056 4.470 -0.002 0.000 0.290 92 S C -0.734 173.438 174.600 -0.713 0.000 1.150 92 S CA -0.670 57.338 58.200 -0.320 0.000 1.058 92 S CB 0.330 63.422 63.200 -0.180 0.000 1.032 92 S HN 0.770 9.080 8.310 -0.000 0.000 0.510 93 H N 0.314 119.370 119.070 -0.023 0.000 3.016 93 H HA 0.436 4.991 4.556 -0.002 0.000 0.362 93 H C -1.025 174.277 175.328 -0.043 0.000 1.233 93 H CA -0.585 55.408 56.048 -0.092 0.000 1.124 93 H CB 1.817 31.552 29.762 -0.046 0.000 1.850 93 H HN 0.463 8.743 8.280 -0.000 0.000 0.549 94 T N 2.332 116.889 114.554 0.005 0.000 2.812 94 T HA 0.331 4.680 4.350 -0.002 0.000 0.282 94 T C -0.502 174.290 174.700 0.152 0.000 0.990 94 T CA -0.635 61.503 62.100 0.064 0.000 0.960 94 T CB 1.372 70.248 68.868 0.015 0.000 0.948 94 T HN 0.180 8.420 8.240 -0.000 0.000 0.438 95 L N 3.765 125.148 121.223 0.268 0.000 2.319 95 L HA 0.524 4.863 4.340 -0.002 0.000 0.281 95 L C -0.588 176.506 176.870 0.374 0.000 1.005 95 L CA -0.142 54.924 54.840 0.377 0.000 0.828 95 L CB 1.389 43.666 42.059 0.363 0.000 1.227 95 L HN 0.618 8.848 8.230 -0.000 0.000 0.415 96 Q N 3.514 123.545 119.800 0.385 0.000 2.306 96 Q HA 0.539 4.878 4.340 -0.002 0.000 0.265 96 Q C -1.817 174.419 176.000 0.393 0.000 1.022 96 Q CA -0.456 55.551 55.803 0.339 0.000 0.853 96 Q CB 2.649 31.527 28.738 0.234 0.000 1.327 96 Q HN 0.711 8.981 8.270 -0.000 0.000 0.449 97 W N 2.710 124.036 121.300 0.043 0.000 3.107 97 W HA 0.678 5.337 4.660 -0.002 0.000 0.331 97 W C -1.956 174.522 176.519 -0.068 0.000 1.204 97 W CA -0.769 56.455 57.345 -0.201 0.000 1.184 97 W CB 1.573 30.785 29.460 -0.413 0.000 1.421 97 W HN 0.572 8.752 8.180 -0.000 0.000 0.544 98 M N 7.015 126.075 119.600 -0.901 0.000 2.324 98 M HA 0.518 4.997 4.480 -0.002 0.000 0.288 98 M C -2.025 173.518 176.300 -1.263 0.000 1.097 98 M CA -0.624 54.065 55.300 -1.018 0.000 0.928 98 M CB 1.743 34.039 32.600 -0.507 0.000 1.648 98 M HN 0.510 8.800 8.290 -0.000 0.000 0.460 99 I N 3.020 122.850 120.570 -1.233 0.000 2.647 99 I HA 0.954 5.123 4.170 -0.002 0.000 0.295 99 I C -0.654 175.323 176.117 -0.234 0.000 1.078 99 I CA -0.234 60.729 61.300 -0.562 0.000 1.048 99 I CB 2.121 39.894 38.000 -0.379 0.000 1.239 99 I HN 0.782 8.992 8.210 -0.000 0.000 0.421 100 G N 4.771 113.587 108.800 0.027 0.000 2.547 100 G HA2 0.521 4.480 3.960 -0.002 0.000 0.291 100 G HA3 0.521 4.480 3.960 -0.002 0.000 0.291 100 G C -1.802 173.240 174.900 0.236 0.000 1.471 100 G CA -0.533 44.649 45.100 0.136 0.000 0.798 100 G HN 0.837 9.127 8.290 -0.000 0.000 0.504 101 c N -0.110 118.610 118.600 0.199 0.000 2.563 101 c HA 0.877 5.446 4.570 -0.002 0.000 0.314 101 c C -1.159 173.023 174.090 0.153 0.000 1.199 101 c CA -1.310 55.107 56.329 0.147 0.000 1.564 101 c CB 1.571 44.127 42.510 0.076 0.000 2.173 101 c HN 0.604 8.834 8.230 -0.000 0.000 0.485 102 D N 1.796 122.272 120.400 0.126 0.000 2.278 102 D HA 0.466 5.104 4.640 -0.002 0.000 0.245 102 D C 0.665 176.999 176.300 0.057 0.000 1.052 102 D CA -0.500 53.565 54.000 0.107 0.000 0.834 102 D CB 1.934 42.811 40.800 0.128 0.000 1.194 102 D HN 0.580 8.950 8.370 -0.000 0.000 0.481 103 L N 1.132 122.386 121.223 0.051 0.000 2.130 103 L HA 0.256 4.595 4.340 -0.002 0.000 0.200 103 L C 0.982 177.870 176.870 0.031 0.000 1.075 103 L CA 0.718 55.580 54.840 0.037 0.000 0.768 103 L CB -0.252 41.813 42.059 0.010 0.000 0.933 103 L HN 0.680 8.910 8.230 -0.000 0.000 0.451 104 G N -0.858 107.953 108.800 0.020 0.000 2.907 104 G HA2 -0.193 3.766 3.960 -0.002 0.000 0.686 104 G HA3 -0.193 3.766 3.960 -0.002 0.000 0.686 104 G C 0.377 175.283 174.900 0.011 0.000 1.115 104 G CA -0.195 44.907 45.100 0.004 0.000 0.760 104 G HN 0.039 8.329 8.290 -0.000 0.000 0.620 105 S N 0.890 116.584 115.700 -0.010 0.000 2.407 105 S HA -0.169 4.300 4.470 -0.002 0.000 0.244 105 S C 0.939 175.555 174.600 0.027 0.000 1.077 105 S CA 3.099 61.298 58.200 -0.000 0.000 1.159 105 S CB -0.362 62.828 63.200 -0.018 0.000 1.045 105 S HN 1.725 10.035 8.310 -0.000 0.000 0.438 106 D N -2.682 117.730 120.400 0.021 0.000 2.787 106 D HA 0.572 5.211 4.640 -0.002 0.000 0.215 106 D C -0.425 175.884 176.300 0.016 0.000 1.246 106 D CA 0.108 54.126 54.000 0.031 0.000 0.798 106 D CB 0.832 41.654 40.800 0.036 0.000 1.649 106 D HN 0.478 8.848 8.370 -0.000 0.000 0.507 107 G N 0.181 108.990 108.800 0.016 0.000 2.361 107 G HA2 0.407 4.366 3.960 -0.002 0.000 0.305 107 G HA3 0.407 4.366 3.960 -0.002 0.000 0.305 107 G C -1.452 173.462 174.900 0.025 0.000 1.367 107 G CA -1.184 43.934 45.100 0.030 0.000 0.951 107 G HN 0.543 8.833 8.290 -0.000 0.000 0.615 108 R N -1.120 119.402 120.500 0.037 0.000 2.893 108 R HA 0.794 5.133 4.340 -0.002 0.000 0.245 108 R C -0.162 176.161 176.300 0.039 0.000 1.192 108 R CA -0.739 55.400 56.100 0.066 0.000 1.077 108 R CB 1.289 31.677 30.300 0.146 0.000 1.253 108 R HN 1.507 9.777 8.270 -0.000 0.000 0.505 109 L N 1.877 123.124 121.223 0.041 0.000 3.546 109 L HA -0.154 4.185 4.340 -0.002 0.000 0.668 109 L C 0.281 177.145 176.870 -0.010 0.000 1.139 109 L CA 0.373 55.222 54.840 0.015 0.000 1.122 109 L CB -0.569 41.494 42.059 0.006 0.000 1.545 109 L HN 0.782 9.012 8.230 -0.000 0.000 0.851 110 I N -0.857 119.706 120.570 -0.011 0.000 2.676 110 I HA 0.050 4.219 4.170 -0.002 0.000 0.259 110 I C 1.172 177.246 176.117 -0.072 0.000 1.194 110 I CA 0.713 61.994 61.300 -0.032 0.000 1.473 110 I CB -0.292 37.696 38.000 -0.021 0.000 1.096 110 I HN 0.531 8.741 8.210 -0.000 0.000 0.443 111 R N 1.082 121.528 120.500 -0.090 0.000 2.560 111 R HA 0.472 4.811 4.340 -0.002 0.000 0.267 111 R C -0.806 175.342 176.300 -0.252 0.000 1.150 111 R CA -0.298 55.669 56.100 -0.223 0.000 0.997 111 R CB 2.111 32.240 30.300 -0.284 0.000 1.250 111 R HN 0.244 8.514 8.270 -0.000 0.000 0.433 112 G N 1.661 110.275 108.800 -0.310 0.000 2.441 112 G HA2 0.673 4.632 3.960 -0.002 0.000 0.334 112 G HA3 0.673 4.632 3.960 -0.002 0.000 0.334 112 G C -1.481 173.167 174.900 -0.421 0.000 1.161 112 G CA -0.133 44.833 45.100 -0.224 0.000 0.935 112 G HN 0.361 8.651 8.290 -0.000 0.000 0.488 113 Y N -0.965 119.322 120.300 -0.022 0.000 2.513 113 Y HA 0.578 5.127 4.550 -0.002 0.000 0.340 113 Y C -0.192 175.678 175.900 -0.050 0.000 1.055 113 Y CA -0.906 57.166 58.100 -0.045 0.000 1.020 113 Y CB 2.936 41.352 38.460 -0.073 0.000 1.301 113 Y HN 0.646 8.926 8.280 -0.000 0.000 0.453 114 E N 3.097 123.384 120.200 0.146 0.000 2.397 114 E HA 0.592 4.941 4.350 -0.002 0.000 0.293 114 E C -1.785 174.907 176.600 0.154 0.000 0.930 114 E CA -0.761 55.687 56.400 0.080 0.000 0.793 114 E CB 1.393 31.204 29.700 0.185 0.000 1.259 114 E HN 0.758 9.118 8.360 -0.000 0.000 0.406 115 R N 2.947 123.471 120.500 0.040 0.000 2.668 115 R HA 0.436 4.775 4.340 -0.002 0.000 0.272 115 R C -1.618 174.779 176.300 0.161 0.000 1.019 115 R CA -0.910 55.293 56.100 0.171 0.000 0.894 115 R CB 1.616 31.986 30.300 0.116 0.000 1.228 115 R HN 0.386 8.656 8.270 -0.000 0.000 0.460 116 Y N 0.096 120.613 120.300 0.361 0.000 2.446 116 Y HA 0.669 5.218 4.550 -0.002 0.000 0.345 116 Y C -0.328 175.798 175.900 0.376 0.000 0.984 116 Y CA -0.473 57.875 58.100 0.412 0.000 1.058 116 Y CB 2.573 41.312 38.460 0.464 0.000 1.220 116 Y HN 0.769 9.049 8.280 -0.000 0.000 0.455 117 A N 2.796 125.921 122.820 0.507 0.000 2.386 117 A HA 0.675 4.994 4.320 -0.002 0.000 0.311 117 A C -2.400 175.427 177.584 0.404 0.000 1.068 117 A CA -0.629 51.650 52.037 0.403 0.000 0.743 117 A CB 0.957 20.117 19.000 0.266 0.000 1.258 117 A HN 0.627 8.777 8.150 -0.000 0.000 0.429 118 Y N 1.588 122.002 120.300 0.189 0.000 2.326 118 Y HA 0.407 4.955 4.550 -0.002 0.000 0.329 118 Y C -0.350 175.588 175.900 0.064 0.000 0.973 118 Y CA -1.000 57.147 58.100 0.077 0.000 1.162 118 Y CB 1.056 39.488 38.460 -0.047 0.000 1.147 118 Y HN 0.884 9.164 8.280 -0.000 0.000 0.456 119 D N 4.735 124.901 120.400 -0.389 0.000 2.689 119 D HA -0.189 4.450 4.640 -0.002 0.000 0.237 119 D C 1.233 177.473 176.300 -0.099 0.000 1.148 119 D CA 1.889 55.710 54.000 -0.298 0.000 0.656 119 D CB -1.083 39.450 40.800 -0.446 0.000 1.050 119 D HN 1.248 9.618 8.370 -0.000 0.000 0.426 120 G N -0.492 108.300 108.800 -0.013 0.000 2.184 120 G HA2 -0.384 3.575 3.960 -0.002 0.000 0.264 120 G HA3 -0.384 3.575 3.960 -0.002 0.000 0.264 120 G C 0.394 175.334 174.900 0.066 0.000 0.975 120 G CA 0.835 45.952 45.100 0.028 0.000 0.642 120 G HN 0.544 8.834 8.290 -0.000 0.000 0.536 121 K N 0.874 121.332 120.400 0.097 0.000 2.206 121 K HA 0.375 4.694 4.320 -0.002 0.000 0.264 121 K C -0.648 176.086 176.600 0.223 0.000 0.967 121 K CA -0.882 55.488 56.287 0.138 0.000 0.844 121 K CB 0.610 33.189 32.500 0.132 0.000 1.099 121 K HN 0.041 8.291 8.250 -0.000 0.000 0.441 122 D N 2.604 123.123 120.400 0.198 0.000 2.586 122 D HA -0.123 4.516 4.640 -0.002 0.000 0.234 122 D C 0.068 176.552 176.300 0.308 0.000 1.132 122 D CA 0.814 54.955 54.000 0.235 0.000 0.860 122 D CB 0.386 41.285 40.800 0.165 0.000 1.159 122 D HN 0.482 8.852 8.370 -0.000 0.000 0.490 123 Y N 3.177 123.620 120.300 0.238 0.000 2.583 123 Y HA 0.328 4.877 4.550 -0.002 0.000 0.270 123 Y C -0.422 175.607 175.900 0.216 0.000 1.113 123 Y CA -0.013 58.237 58.100 0.250 0.000 1.307 123 Y CB 0.467 39.107 38.460 0.301 0.000 1.369 123 Y HN 0.351 8.631 8.280 -0.000 0.000 0.506 124 L N 0.813 122.186 121.223 0.251 0.000 2.482 124 L HA 0.813 5.151 4.340 -0.002 0.000 0.263 124 L C -1.646 175.453 176.870 0.381 0.000 0.957 124 L CA -0.625 54.333 54.840 0.198 0.000 0.836 124 L CB 1.867 44.029 42.059 0.173 0.000 1.324 124 L HN 0.212 8.442 8.230 -0.000 0.000 0.406 125 A N 3.720 126.765 122.820 0.374 0.000 2.475 125 A HA 0.745 5.064 4.320 -0.002 0.000 0.301 125 A C -1.816 175.999 177.584 0.385 0.000 1.059 125 A CA -0.584 51.667 52.037 0.357 0.000 0.710 125 A CB 1.505 20.638 19.000 0.222 0.000 1.288 125 A HN 0.723 8.873 8.150 -0.000 0.000 0.408 126 L N 1.848 123.192 121.223 0.203 0.000 2.331 126 L HA 0.301 4.640 4.340 -0.002 0.000 0.278 126 L C 0.255 177.036 176.870 -0.149 0.000 1.106 126 L CA 0.193 54.885 54.840 -0.246 0.000 0.824 126 L CB -0.013 41.842 42.059 -0.341 0.000 1.142 126 L HN 0.794 9.024 8.230 -0.000 0.000 0.443 127 N N 3.046 121.617 118.700 -0.214 0.000 2.424 127 N HA 0.027 4.766 4.740 -0.002 0.000 0.257 127 N C 0.622 176.036 175.510 -0.160 0.000 1.250 127 N CA -0.216 52.758 53.050 -0.127 0.000 0.946 127 N CB 0.566 38.990 38.487 -0.106 0.000 1.175 127 N HN 0.721 9.101 8.380 -0.000 0.000 0.477 128 E N 0.512 120.632 120.200 -0.133 0.000 2.171 128 E HA -0.268 4.080 4.350 -0.002 0.000 0.197 128 E C 0.687 177.196 176.600 -0.152 0.000 0.997 128 E CA 1.495 57.795 56.400 -0.166 0.000 0.810 128 E CB 0.041 29.660 29.700 -0.136 0.000 0.738 128 E HN 0.628 8.988 8.360 -0.000 0.000 0.467 129 D N -0.089 120.233 120.400 -0.129 0.000 2.348 129 D HA -0.174 4.465 4.640 -0.002 0.000 0.216 129 D C 1.017 177.236 176.300 -0.134 0.000 0.970 129 D CA 0.452 54.384 54.000 -0.114 0.000 0.889 129 D CB -0.403 40.344 40.800 -0.089 0.000 0.912 129 D HN 0.357 8.727 8.370 -0.000 0.000 0.524 130 L N -1.576 119.537 121.223 -0.183 0.000 4.001 130 L HA -0.273 4.065 4.340 -0.002 0.000 0.413 130 L C 0.670 177.407 176.870 -0.223 0.000 1.185 130 L CA 0.502 55.213 54.840 -0.215 0.000 0.963 130 L CB -1.805 40.167 42.059 -0.143 0.000 1.976 130 L HN 0.189 8.419 8.230 -0.000 0.000 0.939 131 R N -0.810 119.549 120.500 -0.235 0.000 2.549 131 R HA 0.285 4.624 4.340 -0.002 0.000 0.361 131 R C 0.108 176.284 176.300 -0.207 0.000 0.969 131 R CA 0.714 56.708 56.100 -0.177 0.000 1.158 131 R CB 1.249 31.492 30.300 -0.095 0.000 1.456 131 R HN 0.462 8.732 8.270 -0.000 0.000 0.540 132 S N -1.272 114.196 115.700 -0.386 0.000 2.578 132 S HA 0.502 4.971 4.470 -0.002 0.000 0.272 132 S C -1.695 172.635 174.600 -0.449 0.000 1.145 132 S CA -1.092 56.944 58.200 -0.274 0.000 0.835 132 S CB 1.096 64.241 63.200 -0.092 0.000 1.104 132 S HN 0.205 8.515 8.310 -0.000 0.000 0.458 133 W N 0.447 121.759 121.300 0.020 0.000 2.781 133 W HA 0.688 5.347 4.660 -0.002 0.000 0.345 133 W C -0.493 176.034 176.519 0.014 0.000 1.085 133 W CA -0.525 56.836 57.345 0.027 0.000 1.198 133 W CB 2.251 31.727 29.460 0.027 0.000 1.423 133 W HN 0.656 8.836 8.180 -0.000 0.000 0.532 134 T N 2.226 116.939 114.554 0.266 0.000 2.786 134 T HA 0.678 5.027 4.350 -0.002 0.000 0.283 134 T C -0.512 174.265 174.700 0.129 0.000 0.992 134 T CA -0.490 61.701 62.100 0.152 0.000 0.954 134 T CB 1.016 69.948 68.868 0.105 0.000 0.934 134 T HN 0.494 8.734 8.240 -0.000 0.000 0.440 135 A N 1.895 124.745 122.820 0.050 0.000 2.304 135 A HA 0.778 5.097 4.320 -0.002 0.000 0.323 135 A C 1.177 178.736 177.584 -0.041 0.000 1.195 135 A CA -0.646 51.359 52.037 -0.053 0.000 0.826 135 A CB 0.753 19.683 19.000 -0.118 0.000 1.184 135 A HN 0.954 9.104 8.150 -0.000 0.000 0.496 136 A N 1.860 124.649 122.820 -0.053 0.000 2.123 136 A HA 0.367 4.686 4.320 -0.002 0.000 0.214 136 A C 0.615 178.216 177.584 0.028 0.000 1.152 136 A CA 1.606 53.656 52.037 0.021 0.000 0.728 136 A CB -0.346 18.704 19.000 0.084 0.000 0.814 136 A HN 0.960 9.110 8.150 -0.000 0.000 0.464 137 D N -4.661 115.732 120.400 -0.012 0.000 2.946 137 D HA 0.208 4.847 4.640 -0.002 0.000 0.337 137 D C 0.689 176.961 176.300 -0.046 0.000 1.332 137 D CA 0.372 54.386 54.000 0.022 0.000 0.935 137 D CB -0.279 40.600 40.800 0.132 0.000 1.440 137 D HN -0.058 8.312 8.370 -0.000 0.000 0.540 138 T N -2.680 111.853 114.554 -0.035 0.000 2.857 138 T HA 0.098 4.447 4.350 -0.002 0.000 0.266 138 T C 2.005 176.584 174.700 -0.202 0.000 1.048 138 T CA 1.404 63.443 62.100 -0.101 0.000 1.139 138 T CB -0.757 68.066 68.868 -0.075 0.000 0.874 138 T HN 0.588 8.828 8.240 -0.000 0.000 0.455 139 A N 2.303 124.992 122.820 -0.219 0.000 1.865 139 A HA 0.178 4.497 4.320 -0.002 0.000 0.217 139 A C 2.826 180.187 177.584 -0.371 0.000 1.191 139 A CA 2.153 53.950 52.037 -0.401 0.000 0.623 139 A CB -1.486 17.210 19.000 -0.506 0.000 0.826 139 A HN 0.721 8.871 8.150 -0.000 0.000 0.444 140 A N -0.932 121.686 122.820 -0.336 0.000 1.972 140 A HA -0.200 4.119 4.320 -0.002 0.000 0.219 140 A C 2.052 179.408 177.584 -0.381 0.000 1.169 140 A CA 1.598 53.247 52.037 -0.647 0.000 0.635 140 A CB -0.579 17.874 19.000 -0.911 0.000 0.810 140 A HN 0.688 8.838 8.150 -0.000 0.000 0.446 141 Q N -0.449 119.185 119.800 -0.278 0.000 2.181 141 Q HA -0.162 4.176 4.340 -0.002 0.000 0.205 141 Q C 1.904 177.766 176.000 -0.229 0.000 0.980 141 Q CA 1.566 57.244 55.803 -0.207 0.000 0.862 141 Q CB -0.410 28.237 28.738 -0.152 0.000 0.905 141 Q HN 0.788 9.058 8.270 -0.000 0.000 0.429 142 I N 0.064 120.443 120.570 -0.318 0.000 2.202 142 I HA -0.256 3.913 4.170 -0.002 0.000 0.242 142 I C 2.236 178.220 176.117 -0.223 0.000 1.091 142 I CA 0.905 62.009 61.300 -0.327 0.000 1.368 142 I CB -0.268 37.362 38.000 -0.617 0.000 1.058 142 I HN 0.071 8.281 8.210 -0.000 0.000 0.410 143 S N 0.621 116.209 115.700 -0.186 0.000 2.368 143 S HA -0.237 4.232 4.470 -0.002 0.000 0.225 143 S C 1.980 176.416 174.600 -0.272 0.000 1.030 143 S CA 1.564 59.687 58.200 -0.129 0.000 0.999 143 S CB -0.275 62.929 63.200 0.008 0.000 0.844 143 S HN 0.379 8.689 8.310 -0.000 0.000 0.459 144 K N 1.369 121.596 120.400 -0.288 0.000 2.002 144 K HA -0.073 4.246 4.320 -0.002 0.000 0.209 144 K C 2.315 178.761 176.600 -0.256 0.000 1.048 144 K CA 1.166 57.255 56.287 -0.329 0.000 0.930 144 K CB -0.143 32.261 32.500 -0.161 0.000 0.714 144 K HN 0.145 8.395 8.250 -0.000 0.000 0.438 145 R N 0.595 120.996 120.500 -0.166 0.000 2.105 145 R HA -0.152 4.187 4.340 -0.002 0.000 0.239 145 R C 2.473 178.704 176.300 -0.115 0.000 1.135 145 R CA 1.690 57.723 56.100 -0.112 0.000 0.967 145 R CB -0.203 30.037 30.300 -0.099 0.000 0.861 145 R HN 0.273 8.543 8.270 -0.000 0.000 0.442 146 K N 0.410 120.723 120.400 -0.145 0.000 2.057 146 K HA -0.138 4.181 4.320 -0.002 0.000 0.206 146 K C 2.003 178.518 176.600 -0.142 0.000 1.050 146 K CA 1.515 57.728 56.287 -0.123 0.000 0.935 146 K CB -0.015 32.416 32.500 -0.115 0.000 0.715 146 K HN 0.196 8.446 8.250 -0.000 0.000 0.439 147 C N 1.207 120.351 119.300 -0.260 0.000 2.446 147 C HA -0.016 4.443 4.460 -0.002 0.000 0.277 147 C C 2.288 177.249 174.990 -0.050 0.000 1.275 147 C CA 0.601 59.453 59.018 -0.278 0.000 1.727 147 C CB -0.693 26.529 27.740 -0.863 0.000 2.010 147 C HN 0.571 8.801 8.230 -0.000 0.000 0.486 148 E N 1.189 121.365 120.200 -0.041 0.000 2.038 148 E HA -0.200 4.148 4.350 -0.002 0.000 0.195 148 E C 2.355 178.986 176.600 0.053 0.000 1.000 148 E CA 1.548 58.002 56.400 0.090 0.000 0.803 148 E CB -0.287 29.456 29.700 0.073 0.000 0.750 148 E HN 0.662 9.022 8.360 -0.000 0.000 0.448 149 A N 0.948 123.771 122.820 0.005 0.000 2.015 149 A HA 0.007 4.326 4.320 -0.002 0.000 0.219 149 A C 2.177 179.767 177.584 0.009 0.000 1.163 149 A CA 1.437 53.476 52.037 0.003 0.000 0.646 149 A CB -0.237 18.753 19.000 -0.017 0.000 0.806 149 A HN 0.265 8.415 8.150 -0.000 0.000 0.448 150 A N -1.314 121.510 122.820 0.007 0.000 2.275 150 A HA 0.234 4.553 4.320 -0.002 0.000 0.212 150 A C 0.782 178.394 177.584 0.046 0.000 1.201 150 A CA 0.365 52.410 52.037 0.013 0.000 0.843 150 A CB -0.378 18.617 19.000 -0.008 0.000 0.873 150 A HN 0.467 8.617 8.150 -0.000 0.000 0.492 151 N N -0.939 117.806 118.700 0.075 0.000 2.725 151 N HA -0.179 4.559 4.740 -0.002 0.000 0.249 151 N C 1.059 176.660 175.510 0.152 0.000 1.103 151 N CA 0.945 54.062 53.050 0.110 0.000 0.707 151 N CB -1.663 36.868 38.487 0.073 0.000 1.043 151 N HN 0.895 9.275 8.380 -0.000 0.000 0.553 152 V N -2.472 117.564 119.914 0.204 0.000 2.626 152 V HA -0.011 4.108 4.120 -0.002 0.000 0.252 152 V C 2.329 178.615 176.094 0.320 0.000 1.067 152 V CA 1.983 64.424 62.300 0.235 0.000 1.081 152 V CB -0.509 31.438 31.823 0.208 0.000 0.686 152 V HN 0.377 8.567 8.190 -0.000 0.000 0.468 153 A N 0.669 123.729 122.820 0.401 0.000 1.903 153 A HA -0.341 3.977 4.320 -0.002 0.000 0.219 153 A C 2.289 179.924 177.584 0.085 0.000 1.191 153 A CA 2.470 54.612 52.037 0.175 0.000 0.638 153 A CB -0.900 18.097 19.000 -0.004 0.000 0.823 153 A HN 0.758 8.908 8.150 -0.000 0.000 0.451 154 E N -0.561 119.693 120.200 0.091 0.000 2.118 154 E HA -0.275 4.074 4.350 -0.002 0.000 0.195 154 E C 2.139 178.787 176.600 0.079 0.000 0.992 154 E CA 1.543 57.981 56.400 0.063 0.000 0.804 154 E CB -0.147 29.588 29.700 0.058 0.000 0.741 154 E HN 0.799 9.159 8.360 -0.000 0.000 0.458 155 Q N -0.641 119.222 119.800 0.105 0.000 2.172 155 Q HA -0.077 4.262 4.340 -0.002 0.000 0.200 155 Q C 2.163 178.247 176.000 0.141 0.000 0.964 155 Q CA 0.694 56.563 55.803 0.109 0.000 0.855 155 Q CB 0.153 28.950 28.738 0.098 0.000 0.918 155 Q HN 0.102 8.372 8.270 -0.000 0.000 0.444 156 R N 0.534 121.129 120.500 0.158 0.000 2.073 156 R HA -0.060 4.279 4.340 -0.002 0.000 0.229 156 R C 2.020 178.422 176.300 0.170 0.000 1.120 156 R CA 1.137 57.351 56.100 0.189 0.000 0.967 156 R CB -0.675 29.738 30.300 0.189 0.000 0.862 156 R HN 0.216 8.486 8.270 -0.000 0.000 0.436 157 R N 0.817 121.369 120.500 0.087 0.000 2.105 157 R HA -0.064 4.275 4.340 -0.002 0.000 0.239 157 R C 2.038 178.378 176.300 0.066 0.000 1.135 157 R CA 1.553 57.681 56.100 0.045 0.000 0.967 157 R CB -0.223 30.079 30.300 0.002 0.000 0.861 157 R HN 0.235 8.505 8.270 -0.000 0.000 0.442 158 A N -0.163 122.712 122.820 0.091 0.000 1.898 158 A HA -0.207 4.112 4.320 -0.002 0.000 0.216 158 A C 1.988 179.644 177.584 0.120 0.000 1.181 158 A CA 1.295 53.386 52.037 0.090 0.000 0.620 158 A CB -0.813 18.241 19.000 0.090 0.000 0.819 158 A HN 0.627 8.777 8.150 -0.000 0.000 0.442 159 Y N 0.532 120.868 120.300 0.060 0.000 2.163 159 Y HA -0.129 4.420 4.550 -0.002 0.000 0.288 159 Y C 1.895 177.848 175.900 0.087 0.000 1.136 159 Y CA 1.836 59.981 58.100 0.074 0.000 1.147 159 Y CB -0.347 38.158 38.460 0.075 0.000 0.987 159 Y HN 0.198 8.478 8.280 -0.000 0.000 0.509 160 L N 0.092 121.320 121.223 0.008 0.000 2.046 160 L HA -0.195 4.143 4.340 -0.002 0.000 0.208 160 L C 2.352 179.168 176.870 -0.089 0.000 1.077 160 L CA 1.894 56.688 54.840 -0.076 0.000 0.747 160 L CB -0.510 41.580 42.059 0.052 0.000 0.896 160 L HN 0.266 8.496 8.230 -0.000 0.000 0.432 161 E N -0.501 119.675 120.200 -0.040 0.000 2.158 161 E HA -0.059 4.289 4.350 -0.002 0.000 0.191 161 E C 1.903 178.488 176.600 -0.025 0.000 0.982 161 E CA 0.778 57.162 56.400 -0.026 0.000 0.823 161 E CB 0.012 29.705 29.700 -0.011 0.000 0.766 161 E HN 0.549 8.909 8.360 -0.000 0.000 0.468 162 G N 0.487 109.269 108.800 -0.030 0.000 2.571 162 G HA2 -0.099 3.860 3.960 -0.002 0.000 0.225 162 G HA3 -0.099 3.860 3.960 -0.002 0.000 0.225 162 G C 1.476 176.372 174.900 -0.007 0.000 1.731 162 G CA 0.470 45.567 45.100 -0.004 0.000 0.858 162 G HN 0.054 8.344 8.290 -0.000 0.000 0.611 163 T N 0.388 114.935 114.554 -0.013 0.000 2.699 163 T HA -0.229 4.120 4.350 -0.002 0.000 0.268 163 T C 2.287 176.988 174.700 0.002 0.000 1.036 163 T CA 1.527 63.674 62.100 0.079 0.000 1.147 163 T CB -0.612 68.323 68.868 0.111 0.000 0.862 163 T HN 0.335 8.575 8.240 -0.000 0.000 0.446 164 c N 1.012 119.368 118.600 -0.407 0.000 2.429 164 c HA -0.028 4.541 4.570 -0.002 0.000 0.277 164 c C 2.781 176.887 174.090 0.026 0.000 1.262 164 c CA 0.528 56.698 56.329 -0.265 0.000 1.733 164 c CB -1.216 41.027 42.510 -0.445 0.000 2.010 164 c HN 0.391 8.621 8.230 -0.000 0.000 0.483 165 V N 0.581 120.503 119.914 0.014 0.000 2.270 165 V HA -0.189 3.930 4.120 -0.002 0.000 0.245 165 V C 2.512 178.711 176.094 0.174 0.000 1.043 165 V CA 2.344 64.703 62.300 0.098 0.000 1.014 165 V CB -0.908 30.964 31.823 0.082 0.000 0.645 165 V HN 0.627 8.817 8.190 -0.000 0.000 0.447 166 E N -0.988 119.276 120.200 0.106 0.000 2.077 166 E HA -0.268 4.081 4.350 -0.002 0.000 0.193 166 E C 2.051 178.587 176.600 -0.107 0.000 0.989 166 E CA 1.963 58.362 56.400 -0.001 0.000 0.800 166 E CB -0.179 29.479 29.700 -0.071 0.000 0.746 166 E HN 0.708 9.068 8.360 -0.000 0.000 0.452 167 W N 0.395 121.634 121.300 -0.102 0.000 2.436 167 W HA -0.059 4.600 4.660 -0.002 0.000 0.284 167 W C 2.131 178.398 176.519 -0.420 0.000 1.225 167 W CA 0.152 57.310 57.345 -0.312 0.000 1.271 167 W CB -0.387 28.956 29.460 -0.194 0.000 1.114 167 W HN 0.211 8.391 8.180 -0.000 0.000 0.559 168 L N -0.046 121.230 121.223 0.089 0.000 2.012 168 L HA -0.252 4.087 4.340 -0.002 0.000 0.210 168 L C 2.436 179.230 176.870 -0.125 0.000 1.073 168 L CA 2.116 56.989 54.840 0.055 0.000 0.748 168 L CB -1.342 40.742 42.059 0.043 0.000 0.891 168 L HN 0.107 8.337 8.230 -0.000 0.000 0.431 169 H N -0.546 118.456 119.070 -0.113 0.000 2.352 169 H HA -0.160 4.395 4.556 -0.002 0.000 0.299 169 H C 2.409 177.605 175.328 -0.219 0.000 1.097 169 H CA 1.773 57.728 56.048 -0.156 0.000 1.311 169 H CB 0.006 29.681 29.762 -0.145 0.000 1.377 169 H HN 0.362 8.642 8.280 -0.000 0.000 0.504 170 R N 0.337 120.710 120.500 -0.211 0.000 2.080 170 R HA -0.176 4.163 4.340 -0.002 0.000 0.236 170 R C 2.025 178.206 176.300 -0.197 0.000 1.137 170 R CA 1.561 57.474 56.100 -0.312 0.000 0.943 170 R CB -0.225 29.713 30.300 -0.602 0.000 0.846 170 R HN 0.243 8.513 8.270 -0.000 0.000 0.431 171 Y N 0.861 121.085 120.300 -0.127 0.000 2.224 171 Y HA -0.138 4.411 4.550 -0.002 0.000 0.289 171 Y C 2.220 177.789 175.900 -0.552 0.000 1.146 171 Y CA 0.800 58.726 58.100 -0.290 0.000 1.182 171 Y CB -0.563 37.710 38.460 -0.311 0.000 0.983 171 Y HN 0.071 8.351 8.280 -0.000 0.000 0.524 172 L N -0.501 120.557 121.223 -0.275 0.000 2.141 172 L HA -0.165 4.174 4.340 -0.002 0.000 0.209 172 L C 2.299 179.002 176.870 -0.278 0.000 1.094 172 L CA 1.123 55.744 54.840 -0.365 0.000 0.763 172 L CB -0.277 41.556 42.059 -0.377 0.000 0.908 172 L HN 0.162 8.392 8.230 -0.000 0.000 0.437 173 E N -0.040 120.048 120.200 -0.187 0.000 2.051 173 E HA -0.105 4.244 4.350 -0.002 0.000 0.189 173 E C 1.927 178.456 176.600 -0.118 0.000 0.979 173 E CA 0.763 57.086 56.400 -0.129 0.000 0.803 173 E CB -0.323 29.323 29.700 -0.091 0.000 0.761 173 E HN 0.437 8.797 8.360 -0.000 0.000 0.451 174 N N 0.458 119.102 118.700 -0.094 0.000 2.223 174 N HA -0.089 4.650 4.740 -0.002 0.000 0.185 174 N C 1.450 176.933 175.510 -0.044 0.000 1.016 174 N CA 1.351 54.398 53.050 -0.006 0.000 0.863 174 N CB -0.283 38.283 38.487 0.132 0.000 0.983 174 N HN 0.163 8.543 8.380 -0.000 0.000 0.429 175 G N 0.186 108.774 108.800 -0.353 0.000 3.820 175 G HA2 0.039 3.998 3.960 -0.002 0.000 0.293 175 G HA3 0.039 3.998 3.960 -0.002 0.000 0.293 175 G C 1.115 175.767 174.900 -0.414 0.000 1.152 175 G CA -0.394 44.350 45.100 -0.594 0.000 0.921 175 G HN 0.167 8.457 8.290 -0.000 0.000 0.544 176 K N 0.566 120.824 120.400 -0.238 0.000 2.127 176 K HA -0.193 4.125 4.320 -0.002 0.000 0.208 176 K C 1.955 178.492 176.600 -0.105 0.000 1.047 176 K CA 1.781 57.970 56.287 -0.163 0.000 0.927 176 K CB 0.018 32.461 32.500 -0.096 0.000 0.716 176 K HN 0.438 8.688 8.250 -0.000 0.000 0.450 177 E N -0.091 120.065 120.200 -0.072 0.000 2.152 177 E HA -0.153 4.196 4.350 -0.002 0.000 0.192 177 E C 1.937 178.516 176.600 -0.034 0.000 0.983 177 E CA 1.197 57.580 56.400 -0.028 0.000 0.818 177 E CB -0.007 29.692 29.700 -0.001 0.000 0.758 177 E HN 0.402 8.762 8.360 -0.000 0.000 0.467 178 M N 0.096 119.659 119.600 -0.061 0.000 2.334 178 M HA -0.018 4.461 4.480 -0.002 0.000 0.266 178 M C 1.486 177.715 176.300 -0.119 0.000 1.082 178 M CA 1.255 56.513 55.300 -0.070 0.000 1.141 178 M CB 0.384 33.018 32.600 0.055 0.000 1.380 178 M HN 0.058 8.348 8.290 -0.000 0.000 0.440 179 L N -0.897 120.242 121.223 -0.140 0.000 2.388 179 L HA 0.099 4.438 4.340 -0.002 0.000 0.209 179 L C 1.396 178.305 176.870 0.065 0.000 1.061 179 L CA 0.384 55.184 54.840 -0.067 0.000 0.834 179 L CB -0.031 41.844 42.059 -0.307 0.000 1.029 179 L HN 0.218 8.448 8.230 -0.000 0.000 0.473 180 Q N 1.216 121.011 119.800 -0.008 0.000 2.237 180 Q HA 0.118 4.457 4.340 -0.002 0.000 0.252 180 Q C 0.090 176.156 176.000 0.110 0.000 0.877 180 Q CA -0.244 55.601 55.803 0.071 0.000 1.011 180 Q CB 0.373 29.104 28.738 -0.011 0.000 1.118 180 Q HN 0.379 8.649 8.270 -0.000 0.000 0.458 181 R N -0.791 119.795 120.500 0.144 0.000 2.541 181 R HA 0.708 5.046 4.340 -0.002 0.000 0.254 181 R C -0.479 175.973 176.300 0.254 0.000 1.130 181 R CA -0.343 55.854 56.100 0.162 0.000 1.152 181 R CB 0.705 31.081 30.300 0.126 0.000 1.222 181 R HN -0.056 8.214 8.270 -0.000 0.000 0.579 182 A N 1.689 124.654 122.820 0.242 0.000 3.474 182 A HA 0.202 4.521 4.320 -0.002 0.000 0.251 182 A C -1.442 176.343 177.584 0.336 0.000 1.062 182 A CA -0.791 51.412 52.037 0.277 0.000 0.945 182 A CB 0.143 19.231 19.000 0.146 0.000 1.296 182 A HN 0.713 8.863 8.150 -0.000 0.000 0.592 183 D N 3.632 124.257 120.400 0.374 0.000 2.479 183 D HA 0.186 4.825 4.640 -0.002 0.000 0.257 183 D C -2.095 174.407 176.300 0.338 0.000 1.230 183 D CA -0.119 54.065 54.000 0.306 0.000 0.912 183 D CB 0.720 41.687 40.800 0.278 0.000 1.130 183 D HN 0.316 8.686 8.370 -0.000 0.000 0.515 184 P HA 0.171 4.591 4.420 -0.000 0.000 0.274 184 P C -2.597 174.738 177.300 0.058 0.000 1.237 184 P CA -1.436 61.750 63.100 0.144 0.000 0.793 184 P CB -0.058 31.728 31.700 0.144 0.000 0.977 185 P HA 0.172 4.592 4.420 -0.000 0.000 0.275 185 P C -0.469 176.891 177.300 0.099 0.000 1.227 185 P CA -0.035 63.110 63.100 0.074 0.000 0.781 185 P CB 0.641 32.278 31.700 -0.105 0.000 0.906 186 K N 1.508 122.001 120.400 0.154 0.000 2.297 186 K HA 0.357 4.676 4.320 -0.002 0.000 0.286 186 K C 0.536 177.253 176.600 0.196 0.000 1.053 186 K CA -0.093 56.281 56.287 0.144 0.000 0.940 186 K CB 0.370 32.946 32.500 0.127 0.000 1.019 186 K HN 0.519 8.769 8.250 -0.000 0.000 0.475 187 T N 0.539 115.198 114.554 0.175 0.000 2.876 187 T HA 0.459 4.807 4.350 -0.002 0.000 0.289 187 T C -0.689 174.170 174.700 0.265 0.000 1.014 187 T CA -0.954 61.261 62.100 0.193 0.000 0.986 187 T CB 1.402 70.320 68.868 0.083 0.000 1.021 187 T HN 0.805 9.045 8.240 -0.000 0.000 0.458 188 H N -0.275 118.898 119.070 0.172 0.000 3.014 188 H HA 0.653 5.208 4.556 -0.001 0.000 0.337 188 H C -2.096 173.401 175.328 0.280 0.000 1.320 188 H CA -1.020 55.131 56.048 0.172 0.000 1.128 188 H CB 1.183 31.014 29.762 0.115 0.000 1.862 188 H HN 0.560 8.840 8.280 -0.000 0.000 0.536 189 V N 2.153 122.229 119.914 0.271 0.000 2.448 189 V HA 0.359 4.478 4.120 -0.002 0.000 0.295 189 V C 0.527 176.843 176.094 0.370 0.000 1.025 189 V CA -0.324 62.161 62.300 0.308 0.000 0.859 189 V CB 1.385 33.453 31.823 0.408 0.000 0.988 189 V HN 0.994 9.184 8.190 -0.000 0.000 0.431 190 T N 0.950 115.675 114.554 0.285 0.000 2.929 190 T HA 0.638 4.986 4.350 -0.002 0.000 0.284 190 T C -0.676 173.864 174.700 -0.267 0.000 1.014 190 T CA -0.576 61.590 62.100 0.109 0.000 1.051 190 T CB 1.547 70.528 68.868 0.188 0.000 1.028 190 T HN 0.756 8.996 8.240 -0.000 0.000 0.485 191 H N 0.826 119.486 119.070 -0.683 0.000 2.547 191 H HA 0.423 4.978 4.556 -0.002 0.000 0.342 191 H C -0.968 173.808 175.328 -0.921 0.000 1.048 191 H CA -0.802 54.694 56.048 -0.920 0.000 1.204 191 H CB 0.705 29.703 29.762 -1.273 0.000 1.493 191 H HN 0.728 9.008 8.280 -0.000 0.000 0.511 192 H N 6.121 124.723 119.070 -0.779 0.000 2.791 192 H HA 0.243 4.798 4.556 -0.002 0.000 0.272 192 H C -2.592 172.341 175.328 -0.658 0.000 1.188 192 H CA -2.007 53.710 56.048 -0.550 0.000 1.436 192 H CB 0.850 30.416 29.762 -0.326 0.000 1.467 192 H HN 0.571 8.851 8.280 -0.000 0.000 0.500 193 P HA -0.001 4.419 4.420 -0.000 0.000 0.268 193 P C -0.169 176.976 177.300 -0.258 0.000 1.208 193 P CA -0.202 62.655 63.100 -0.405 0.000 0.777 193 P CB 1.079 32.663 31.700 -0.192 0.000 0.875 194 V N 3.706 123.437 119.914 -0.305 0.000 2.419 194 V HA 0.216 4.335 4.120 -0.002 0.000 0.287 194 V C -0.287 175.653 176.094 -0.256 0.000 1.017 194 V CA -0.645 61.480 62.300 -0.291 0.000 0.844 194 V CB 0.673 32.196 31.823 -0.501 0.000 1.011 194 V HN 0.460 8.650 8.190 -0.000 0.000 0.429 195 F N 5.472 125.355 119.950 -0.112 0.000 2.602 195 F HA 0.166 4.691 4.527 -0.002 0.000 0.385 195 F C 0.834 176.736 175.800 0.171 0.000 1.063 195 F CA 0.523 58.524 58.000 0.002 0.000 1.233 195 F CB 0.671 39.693 39.000 0.036 0.000 1.067 195 F HN 0.746 9.046 8.300 -0.000 0.000 0.564 196 D N 3.973 124.266 120.400 -0.178 0.000 2.804 196 D HA 0.020 4.659 4.640 -0.002 0.000 0.308 196 D C -0.054 176.100 176.300 -0.243 0.000 1.371 196 D CA -0.132 53.455 54.000 -0.688 0.000 0.823 196 D CB -0.910 38.933 40.800 -1.596 0.000 1.126 196 D HN 0.585 8.955 8.370 -0.000 0.000 0.467 197 Y N 0.001 120.190 120.300 -0.185 0.000 2.607 197 Y HA 0.397 4.946 4.550 -0.002 0.000 0.276 197 Y C 0.347 176.191 175.900 -0.094 0.000 1.117 197 Y CA -0.332 57.700 58.100 -0.115 0.000 1.273 197 Y CB 0.141 38.560 38.460 -0.069 0.000 1.282 197 Y HN 0.060 8.340 8.280 -0.000 0.000 0.514 198 E N 0.910 120.750 120.200 -0.599 0.000 2.458 198 E HA 0.821 5.170 4.350 -0.002 0.000 0.278 198 E C -1.557 174.776 176.600 -0.446 0.000 1.004 198 E CA -1.299 54.853 56.400 -0.412 0.000 0.823 198 E CB 1.987 31.507 29.700 -0.299 0.000 1.396 198 E HN 0.217 8.577 8.360 -0.000 0.000 0.463 199 A N 0.419 123.017 122.820 -0.370 0.000 2.594 199 A HA 0.673 4.992 4.320 -0.002 0.000 0.291 199 A C -1.061 176.278 177.584 -0.408 0.000 1.105 199 A CA -0.714 51.059 52.037 -0.440 0.000 0.694 199 A CB 2.106 20.771 19.000 -0.559 0.000 1.291 199 A HN 0.446 8.596 8.150 -0.000 0.000 0.410 200 T N 1.657 115.975 114.554 -0.394 0.000 2.767 200 T HA 0.548 4.897 4.350 -0.002 0.000 0.284 200 T C -0.502 174.001 174.700 -0.329 0.000 0.973 200 T CA -0.019 61.897 62.100 -0.307 0.000 0.996 200 T CB 0.242 69.006 68.868 -0.174 0.000 0.927 200 T HN 0.407 8.647 8.240 -0.000 0.000 0.456 201 L N 3.802 124.791 121.223 -0.390 0.000 2.272 201 L HA 0.564 4.903 4.340 -0.002 0.000 0.289 201 L C 0.453 177.295 176.870 -0.048 0.000 1.032 201 L CA -0.660 53.995 54.840 -0.309 0.000 0.810 201 L CB 1.201 42.860 42.059 -0.666 0.000 1.205 201 L HN 0.379 8.609 8.230 -0.000 0.000 0.422 202 R N 3.042 123.616 120.500 0.124 0.000 2.360 202 R HA 0.353 4.692 4.340 -0.002 0.000 0.318 202 R C -1.185 175.237 176.300 0.203 0.000 0.950 202 R CA -0.475 55.696 56.100 0.118 0.000 0.837 202 R CB 1.428 31.616 30.300 -0.188 0.000 1.165 202 R HN 0.662 8.932 8.270 -0.000 0.000 0.458 203 c N 6.642 125.399 118.600 0.263 0.000 2.373 203 c HA 0.424 4.992 4.570 -0.002 0.000 0.354 203 c C -0.739 173.327 174.090 -0.040 0.000 1.249 203 c CA -0.580 55.771 56.329 0.036 0.000 1.784 203 c CB -0.763 41.566 42.510 -0.301 0.000 2.408 203 c HN 0.851 9.081 8.230 -0.000 0.000 0.542 204 W N 4.580 125.835 121.300 -0.074 0.000 2.433 204 W HA 0.581 5.241 4.660 -0.000 0.000 0.315 204 W C 0.053 176.586 176.519 0.023 0.000 1.087 204 W CA -0.379 56.953 57.345 -0.022 0.000 1.205 204 W CB 1.233 30.524 29.460 -0.282 0.000 1.288 204 W HN 0.869 9.049 8.180 -0.000 0.000 0.504 205 A N 5.094 128.127 122.820 0.355 0.000 2.304 205 A HA 0.879 5.198 4.320 -0.002 0.000 0.314 205 A C -1.344 176.573 177.584 0.555 0.000 1.187 205 A CA -0.576 51.632 52.037 0.285 0.000 0.810 205 A CB 0.584 19.581 19.000 -0.005 0.000 1.183 205 A HN 0.704 8.854 8.150 -0.000 0.000 0.487 206 L N 1.382 122.901 121.223 0.494 0.000 2.388 206 L HA 0.679 5.018 4.340 -0.002 0.000 0.264 206 L C 1.037 178.102 176.870 0.325 0.000 0.998 206 L CA -0.280 54.811 54.840 0.419 0.000 0.817 206 L CB 2.218 44.462 42.059 0.309 0.000 1.338 206 L HN 1.231 9.461 8.230 -0.000 0.000 0.414 207 G N 2.019 110.915 108.800 0.160 0.000 2.273 207 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.280 207 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.280 207 G C -0.416 174.571 174.900 0.145 0.000 1.047 207 G CA 0.642 45.794 45.100 0.085 0.000 0.869 207 G HN 0.538 8.828 8.290 -0.000 0.000 0.502 208 F N -1.576 118.442 119.950 0.113 0.000 2.470 208 F HA 0.877 5.402 4.527 -0.002 0.000 0.329 208 F C -0.331 175.663 175.800 0.323 0.000 1.072 208 F CA -2.724 55.319 58.000 0.072 0.000 0.989 208 F CB 1.402 40.239 39.000 -0.272 0.000 1.193 208 F HN 0.155 8.455 8.300 -0.000 0.000 0.481 209 Y N 3.218 123.798 120.300 0.467 0.000 2.482 209 Y HA 0.515 5.063 4.550 -0.002 0.000 0.334 209 Y C -2.867 173.338 175.900 0.508 0.000 1.091 209 Y CA -2.383 55.998 58.100 0.469 0.000 1.027 209 Y CB 2.469 41.105 38.460 0.292 0.000 1.306 209 Y HN 0.529 8.809 8.280 -0.000 0.000 0.446 210 P HA 0.181 4.601 4.420 -0.000 0.000 0.286 210 P C -0.019 177.247 177.300 -0.057 0.000 1.293 210 P CA 0.493 63.091 63.100 -0.836 0.000 0.770 210 P CB 0.833 32.098 31.700 -0.725 0.000 1.206 211 A N -0.860 121.760 122.820 -0.333 0.000 1.933 211 A HA -0.168 4.151 4.320 -0.002 0.000 0.218 211 A C 1.242 178.836 177.584 0.016 0.000 1.175 211 A CA 1.055 52.851 52.037 -0.402 0.000 0.628 211 A CB -1.306 17.107 19.000 -0.978 0.000 0.814 211 A HN 0.686 8.836 8.150 -0.000 0.000 0.444 212 E N -0.113 120.049 120.200 -0.062 0.000 2.498 212 E HA 0.320 4.669 4.350 -0.002 0.000 0.252 212 E C -0.752 175.867 176.600 0.032 0.000 1.025 212 E CA 0.076 56.446 56.400 -0.050 0.000 0.938 212 E CB -0.016 29.618 29.700 -0.110 0.000 0.947 212 E HN 0.476 8.836 8.360 -0.000 0.000 0.478 213 I N 4.571 125.134 120.570 -0.012 0.000 3.004 213 I HA 0.400 4.569 4.170 -0.002 0.000 0.305 213 I C -1.535 174.523 176.117 -0.098 0.000 1.312 213 I CA -0.895 60.352 61.300 -0.088 0.000 0.992 213 I CB 1.742 39.519 38.000 -0.373 0.000 1.282 213 I HN 0.484 8.694 8.210 -0.000 0.000 0.449 214 I N 6.879 127.386 120.570 -0.105 0.000 2.478 214 I HA 0.406 4.574 4.170 -0.002 0.000 0.287 214 I C -1.225 174.836 176.117 -0.093 0.000 1.042 214 I CA -0.529 60.720 61.300 -0.084 0.000 1.067 214 I CB 1.787 39.749 38.000 -0.063 0.000 1.233 214 I HN 0.276 8.486 8.210 -0.000 0.000 0.431 215 L N 5.873 127.040 121.223 -0.093 0.000 2.322 215 L HA 0.722 5.061 4.340 -0.002 0.000 0.281 215 L C -0.247 176.579 176.870 -0.074 0.000 1.014 215 L CA -0.428 54.347 54.840 -0.109 0.000 0.815 215 L CB 2.218 44.204 42.059 -0.122 0.000 1.247 215 L HN 0.655 8.885 8.230 -0.000 0.000 0.421 216 T N -2.042 112.463 114.554 -0.081 0.000 2.993 216 T HA 0.413 4.762 4.350 -0.002 0.000 0.312 216 T C -1.305 173.394 174.700 -0.001 0.000 1.115 216 T CA -0.712 61.387 62.100 -0.001 0.000 1.027 216 T CB 0.922 69.805 68.868 0.026 0.000 1.116 216 T HN 0.409 8.649 8.240 -0.000 0.000 0.464 217 W N 2.221 123.583 121.300 0.104 0.000 2.376 217 W HA 0.571 5.230 4.660 -0.002 0.000 0.322 217 W C 0.315 176.926 176.519 0.153 0.000 1.160 217 W CA -0.425 57.006 57.345 0.143 0.000 1.218 217 W CB 1.488 31.033 29.460 0.141 0.000 1.205 217 W HN 0.898 9.078 8.180 -0.000 0.000 0.559 218 Q N 2.420 122.546 119.800 0.543 0.000 2.379 218 Q HA 0.571 4.910 4.340 -0.002 0.000 0.278 218 Q C -1.145 174.981 176.000 0.211 0.000 1.068 218 Q CA -1.337 54.651 55.803 0.309 0.000 0.816 218 Q CB 2.572 31.450 28.738 0.233 0.000 1.387 218 Q HN 0.468 8.738 8.270 -0.000 0.000 0.413 219 R N 1.417 121.907 120.500 -0.017 0.000 2.337 219 R HA 0.234 4.573 4.340 -0.002 0.000 0.319 219 R C -0.935 175.257 176.300 -0.180 0.000 0.954 219 R CA 0.083 55.978 56.100 -0.342 0.000 0.840 219 R CB 0.479 30.367 30.300 -0.686 0.000 1.164 219 R HN 0.918 9.188 8.270 -0.000 0.000 0.472 220 D N 1.443 121.763 120.400 -0.133 0.000 2.330 220 D HA -0.119 4.519 4.640 -0.002 0.000 0.168 220 D C -0.053 176.243 176.300 -0.007 0.000 0.992 220 D CA 1.730 55.692 54.000 -0.062 0.000 1.025 220 D CB -0.952 39.808 40.800 -0.067 0.000 1.089 220 D HN 0.688 9.058 8.370 -0.000 0.000 0.487 221 G N 0.359 109.173 108.800 0.023 0.000 2.416 221 G HA2 0.592 4.551 3.960 -0.002 0.000 0.324 221 G HA3 0.592 4.551 3.960 -0.002 0.000 0.324 221 G C 0.060 174.980 174.900 0.033 0.000 1.194 221 G CA -0.303 44.818 45.100 0.035 0.000 0.922 221 G HN 0.018 8.308 8.290 -0.000 0.000 0.467 222 E N 1.562 121.773 120.200 0.019 0.000 3.105 222 E HA 0.123 4.472 4.350 -0.002 0.000 0.198 222 E C -0.931 175.689 176.600 0.033 0.000 0.976 222 E CA -0.572 55.838 56.400 0.017 0.000 1.219 222 E CB 0.675 30.375 29.700 0.001 0.000 1.081 222 E HN 0.491 8.851 8.360 -0.000 0.000 0.464 223 D N 3.298 123.738 120.400 0.067 0.000 3.908 223 D HA -0.133 4.506 4.640 -0.002 0.000 0.237 223 D C -0.610 175.742 176.300 0.087 0.000 1.091 223 D CA 0.817 54.869 54.000 0.087 0.000 1.147 223 D CB -0.343 40.483 40.800 0.045 0.000 0.857 223 D HN 0.261 8.631 8.370 -0.000 0.000 0.410 224 Q N 0.645 120.521 119.800 0.127 0.000 2.400 224 Q HA 0.384 4.723 4.340 -0.002 0.000 0.255 224 Q C 0.444 176.515 176.000 0.117 0.000 1.008 224 Q CA -0.499 55.369 55.803 0.108 0.000 0.841 224 Q CB 1.016 29.819 28.738 0.109 0.000 1.220 224 Q HN 0.136 8.406 8.270 -0.000 0.000 0.474 225 T N 1.530 116.133 114.554 0.082 0.000 2.985 225 T HA -0.088 4.261 4.350 -0.002 0.000 0.266 225 T C 1.435 176.168 174.700 0.054 0.000 1.076 225 T CA 0.815 62.957 62.100 0.070 0.000 1.135 225 T CB 0.247 69.141 68.868 0.043 0.000 0.890 225 T HN 0.381 8.621 8.240 -0.000 0.000 0.480 226 Q N 1.692 121.519 119.800 0.045 0.000 2.096 226 Q HA -0.091 4.247 4.340 -0.002 0.000 0.204 226 Q C 1.619 177.639 176.000 0.033 0.000 0.982 226 Q CA 1.297 57.120 55.803 0.033 0.000 0.850 226 Q CB -0.357 28.398 28.738 0.029 0.000 0.901 226 Q HN 0.607 8.877 8.270 -0.000 0.000 0.422 227 D N -0.334 120.090 120.400 0.040 0.000 2.339 227 D HA 0.045 4.684 4.640 -0.002 0.000 0.217 227 D C 0.103 176.421 176.300 0.031 0.000 1.050 227 D CA 0.013 54.030 54.000 0.028 0.000 0.856 227 D CB 0.838 41.650 40.800 0.020 0.000 0.922 227 D HN -0.017 8.353 8.370 -0.000 0.000 0.518 228 V N 1.648 121.598 119.914 0.060 0.000 2.555 228 V HA 0.034 4.152 4.120 -0.002 0.000 0.286 228 V C 0.510 176.652 176.094 0.080 0.000 1.044 228 V CA -0.367 61.989 62.300 0.094 0.000 1.026 228 V CB 1.522 33.438 31.823 0.156 0.000 0.981 228 V HN 0.017 8.207 8.190 -0.000 0.000 0.480 229 E N 4.212 124.479 120.200 0.112 0.000 2.115 229 E HA 0.450 4.799 4.350 -0.002 0.000 0.282 229 E C -1.270 175.349 176.600 0.032 0.000 0.987 229 E CA -0.690 55.764 56.400 0.090 0.000 0.797 229 E CB 1.225 31.035 29.700 0.184 0.000 1.086 229 E HN 0.522 8.882 8.360 -0.000 0.000 0.397 230 L N 6.847 128.004 121.223 -0.109 0.000 2.342 230 L HA 0.301 4.640 4.340 -0.002 0.000 0.276 230 L C -0.759 175.876 176.870 -0.391 0.000 0.997 230 L CA -0.851 53.860 54.840 -0.216 0.000 0.838 230 L CB 1.441 43.438 42.059 -0.103 0.000 1.224 230 L HN 0.445 8.675 8.230 -0.000 0.000 0.416 231 V N 1.489 120.958 119.914 -0.743 0.000 3.003 231 V HA 0.398 4.517 4.120 -0.002 0.000 0.305 231 V C 0.436 176.312 176.094 -0.364 0.000 1.078 231 V CA -0.781 61.123 62.300 -0.660 0.000 1.083 231 V CB 0.875 32.101 31.823 -0.995 0.000 1.039 231 V HN 0.896 9.086 8.190 -0.000 0.000 0.481 232 E N 1.267 121.322 120.200 -0.241 0.000 2.392 232 E HA 0.135 4.484 4.350 -0.002 0.000 0.264 232 E C -0.149 176.392 176.600 -0.098 0.000 1.024 232 E CA -0.361 55.957 56.400 -0.137 0.000 0.903 232 E CB 0.633 30.277 29.700 -0.093 0.000 0.963 232 E HN 0.884 9.244 8.360 -0.000 0.000 0.432 233 T N 5.265 119.796 114.554 -0.039 0.000 2.902 233 T HA 0.094 4.443 4.350 -0.002 0.000 0.301 233 T C 0.031 174.790 174.700 0.099 0.000 1.012 233 T CA 0.116 62.249 62.100 0.056 0.000 1.151 233 T CB 0.114 69.016 68.868 0.057 0.000 0.946 233 T HN 0.441 8.681 8.240 -0.000 0.000 0.542 234 R N 3.280 123.891 120.500 0.185 0.000 2.807 234 R HA 0.594 4.933 4.340 -0.002 0.000 0.276 234 R C -3.247 173.211 176.300 0.263 0.000 0.979 234 R CA -2.523 53.695 56.100 0.197 0.000 0.928 234 R CB 1.347 31.712 30.300 0.108 0.000 1.191 234 R HN 0.259 8.529 8.270 -0.000 0.000 0.471 235 P HA 0.085 4.505 4.420 -0.000 0.000 0.276 235 P C -0.071 177.142 177.300 -0.146 0.000 1.230 235 P CA -0.131 62.861 63.100 -0.180 0.000 0.776 235 P CB 1.604 33.228 31.700 -0.127 0.000 0.888 236 A N 3.052 125.729 122.820 -0.239 0.000 2.016 236 A HA 0.290 4.608 4.320 -0.002 0.000 0.217 236 A C 1.687 179.209 177.584 -0.103 0.000 1.162 236 A CA 1.541 53.505 52.037 -0.122 0.000 0.662 236 A CB -1.151 17.775 19.000 -0.124 0.000 0.812 236 A HN 0.684 8.834 8.150 -0.000 0.000 0.450 237 G N -0.008 108.704 108.800 -0.147 0.000 2.259 237 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.217 237 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.217 237 G C 0.395 175.234 174.900 -0.103 0.000 1.001 237 G CA 0.731 45.770 45.100 -0.101 0.000 0.627 237 G HN 0.809 9.099 8.290 -0.000 0.000 0.501 238 D N 0.286 120.616 120.400 -0.117 0.000 2.388 238 D HA 0.457 5.096 4.640 -0.002 0.000 0.221 238 D C 1.703 177.929 176.300 -0.122 0.000 1.133 238 D CA 0.628 54.570 54.000 -0.097 0.000 0.831 238 D CB -0.214 40.544 40.800 -0.071 0.000 0.962 238 D HN 1.612 9.982 8.370 -0.000 0.000 0.502 239 G N 0.098 108.789 108.800 -0.182 0.000 2.258 239 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.233 239 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.233 239 G C 0.609 175.356 174.900 -0.255 0.000 1.006 239 G CA 0.367 45.352 45.100 -0.192 0.000 0.620 239 G HN 0.793 9.083 8.290 -0.000 0.000 0.511 240 T N -1.005 113.393 114.554 -0.260 0.000 2.881 240 T HA 0.749 5.098 4.350 -0.002 0.000 0.278 240 T C 0.030 174.378 174.700 -0.588 0.000 0.982 240 T CA -0.480 61.488 62.100 -0.220 0.000 0.989 240 T CB 1.868 70.681 68.868 -0.090 0.000 1.058 240 T HN 0.351 8.591 8.240 -0.000 0.000 0.529 241 F N -0.239 119.419 119.950 -0.486 0.000 2.594 241 F HA 0.601 5.127 4.527 -0.002 0.000 0.335 241 F C 0.558 175.786 175.800 -0.953 0.000 1.058 241 F CA -0.969 56.608 58.000 -0.703 0.000 0.981 241 F CB 2.224 40.795 39.000 -0.714 0.000 1.289 241 F HN 0.552 8.852 8.300 -0.000 0.000 0.490 242 Q N 1.001 120.705 119.800 -0.159 0.000 2.421 242 Q HA 0.619 4.958 4.340 -0.002 0.000 0.280 242 Q C -1.430 174.813 176.000 0.405 0.000 1.085 242 Q CA -1.267 54.675 55.803 0.232 0.000 0.807 242 Q CB 3.713 32.609 28.738 0.264 0.000 1.405 242 Q HN 0.512 8.782 8.270 -0.000 0.000 0.419 243 K N 1.427 122.109 120.400 0.470 0.000 2.610 243 K HA 0.459 4.777 4.320 -0.002 0.000 0.278 243 K C -2.015 174.656 176.600 0.118 0.000 0.964 243 K CA -0.591 55.808 56.287 0.187 0.000 0.859 243 K CB 1.821 34.428 32.500 0.179 0.000 1.434 243 K HN 0.751 9.001 8.250 -0.000 0.000 0.410 244 W N 0.751 121.949 121.300 -0.170 0.000 3.062 244 W HA 0.820 5.479 4.660 -0.002 0.000 0.336 244 W C -1.953 174.436 176.519 -0.216 0.000 1.224 244 W CA -1.105 56.025 57.345 -0.358 0.000 1.159 244 W CB 1.420 30.310 29.460 -0.950 0.000 1.454 244 W HN 0.675 8.855 8.180 -0.000 0.000 0.569 245 A N 1.494 124.490 122.820 0.293 0.000 2.375 245 A HA 0.781 5.100 4.320 -0.002 0.000 0.295 245 A C -1.204 176.725 177.584 0.576 0.000 1.066 245 A CA -0.496 51.742 52.037 0.334 0.000 0.722 245 A CB 0.977 20.076 19.000 0.165 0.000 1.206 245 A HN 1.170 9.320 8.150 -0.000 0.000 0.435 246 A N 1.350 124.488 122.820 0.531 0.000 2.340 246 A HA 0.853 5.172 4.320 -0.002 0.000 0.331 246 A C -0.823 176.799 177.584 0.064 0.000 1.140 246 A CA -0.678 51.527 52.037 0.281 0.000 0.801 246 A CB 1.570 20.671 19.000 0.168 0.000 1.234 246 A HN 2.025 10.175 8.150 -0.000 0.000 0.469 247 V N 2.876 122.625 119.914 -0.275 0.000 2.733 247 V HA 0.501 4.620 4.120 -0.002 0.000 0.306 247 V C -1.093 174.729 176.094 -0.454 0.000 1.084 247 V CA -0.466 61.590 62.300 -0.406 0.000 0.905 247 V CB 2.080 33.501 31.823 -0.671 0.000 1.010 247 V HN 0.766 8.956 8.190 -0.000 0.000 0.424 248 V N 7.663 127.392 119.914 -0.308 0.000 2.389 248 V HA 0.415 4.534 4.120 -0.002 0.000 0.264 248 V C 0.277 176.171 176.094 -0.334 0.000 1.049 248 V CA 0.149 62.274 62.300 -0.291 0.000 0.932 248 V CB 1.142 32.863 31.823 -0.170 0.000 1.011 248 V HN 0.861 9.051 8.190 -0.000 0.000 0.475 249 V N 4.448 124.098 119.914 -0.439 0.000 2.881 249 V HA 0.774 4.893 4.120 -0.002 0.000 0.316 249 V C -2.665 173.301 176.094 -0.212 0.000 1.070 249 V CA -2.904 59.139 62.300 -0.427 0.000 0.976 249 V CB 1.862 33.183 31.823 -0.837 0.000 1.038 249 V HN 0.610 8.800 8.190 -0.000 0.000 0.446 250 P HA 0.213 4.633 4.420 -0.000 0.000 0.271 250 P C -0.202 177.072 177.300 -0.044 0.000 1.218 250 P CA 0.172 63.256 63.100 -0.026 0.000 0.780 250 P CB 0.628 32.353 31.700 0.042 0.000 0.901 251 S N 1.221 116.887 115.700 -0.056 0.000 2.564 251 S HA 0.412 4.881 4.470 -0.002 0.000 0.278 251 S C 1.389 175.989 174.600 -0.001 0.000 1.333 251 S CA 0.950 59.118 58.200 -0.054 0.000 1.048 251 S CB -0.987 62.154 63.200 -0.097 0.000 0.900 251 S HN 0.866 9.176 8.310 -0.000 0.000 0.505 252 G N 3.313 112.130 108.800 0.030 0.000 2.179 252 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.260 252 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.260 252 G C 0.299 175.249 174.900 0.083 0.000 0.977 252 G CA 0.618 45.752 45.100 0.057 0.000 0.641 252 G HN 0.669 8.959 8.290 -0.000 0.000 0.533 253 E N -0.356 119.904 120.200 0.099 0.000 2.583 253 E HA 0.393 4.742 4.350 -0.002 0.000 0.213 253 E C 1.791 178.539 176.600 0.248 0.000 0.989 253 E CA 0.516 57.011 56.400 0.158 0.000 0.991 253 E CB 0.231 30.039 29.700 0.179 0.000 1.040 253 E HN 0.474 8.834 8.360 -0.000 0.000 0.481 254 E N 0.040 120.363 120.200 0.205 0.000 2.106 254 E HA -0.108 4.241 4.350 -0.002 0.000 0.192 254 E C 1.259 178.061 176.600 0.337 0.000 0.984 254 E CA 0.839 57.383 56.400 0.240 0.000 0.806 254 E CB 0.097 29.970 29.700 0.288 0.000 0.750 254 E HN 0.134 8.494 8.360 -0.000 0.000 0.458 255 Q N 0.142 120.100 119.800 0.263 0.000 2.482 255 Q HA 0.046 4.385 4.340 -0.002 0.000 0.209 255 Q C 1.150 177.250 176.000 0.167 0.000 0.961 255 Q CA 0.435 56.359 55.803 0.200 0.000 0.945 255 Q CB 0.215 29.019 28.738 0.110 0.000 1.012 255 Q HN 0.277 8.547 8.270 -0.000 0.000 0.515 256 R N -0.910 119.697 120.500 0.178 0.000 2.297 256 R HA 0.099 4.438 4.340 -0.002 0.000 0.197 256 R C -0.102 176.179 176.300 -0.031 0.000 0.943 256 R CA 0.159 56.283 56.100 0.040 0.000 1.038 256 R CB 0.463 30.729 30.300 -0.056 0.000 0.957 256 R HN 0.146 8.416 8.270 -0.000 0.000 0.484 257 Y N 0.136 120.518 120.300 0.137 0.000 2.420 257 Y HA 0.290 4.839 4.550 -0.002 0.000 0.334 257 Y C 0.442 176.591 175.900 0.415 0.000 1.094 257 Y CA -0.711 57.524 58.100 0.224 0.000 1.126 257 Y CB 2.096 40.587 38.460 0.052 0.000 1.217 257 Y HN -0.137 8.143 8.280 -0.000 0.000 0.462 258 T N -1.200 113.744 114.554 0.650 0.000 2.952 258 T HA 0.388 4.736 4.350 -0.002 0.000 0.305 258 T C -1.270 173.511 174.700 0.134 0.000 1.064 258 T CA -0.846 61.482 62.100 0.381 0.000 1.008 258 T CB 0.947 69.896 68.868 0.135 0.000 1.078 258 T HN 0.796 9.036 8.240 -0.000 0.000 0.459 259 c N 3.351 121.681 118.600 -0.451 0.000 2.307 259 c HA 0.627 5.196 4.570 -0.002 0.000 0.340 259 c C -0.132 173.704 174.090 -0.425 0.000 1.275 259 c CA -0.255 55.575 56.329 -0.830 0.000 1.811 259 c CB -1.323 40.375 42.510 -1.353 0.000 2.372 259 c HN 1.042 9.272 8.230 -0.000 0.000 0.531 260 H N 2.834 121.745 119.070 -0.265 0.000 2.489 260 H HA 0.586 5.141 4.556 -0.002 0.000 0.322 260 H C -0.370 174.859 175.328 -0.165 0.000 1.091 260 H CA 0.121 56.077 56.048 -0.154 0.000 1.291 260 H CB 1.326 31.035 29.762 -0.089 0.000 1.436 260 H HN 0.574 8.854 8.280 -0.000 0.000 0.480 261 V N 4.397 124.293 119.914 -0.030 0.000 2.444 261 V HA 0.300 4.419 4.120 -0.002 0.000 0.294 261 V C -0.554 175.532 176.094 -0.013 0.000 1.022 261 V CA -0.868 61.396 62.300 -0.059 0.000 0.850 261 V CB 1.568 33.328 31.823 -0.105 0.000 0.992 261 V HN 0.776 8.966 8.190 -0.000 0.000 0.426 262 Q N 3.000 122.787 119.800 -0.021 0.000 2.340 262 Q HA 0.764 5.103 4.340 -0.002 0.000 0.268 262 Q C -1.044 174.966 176.000 0.017 0.000 1.031 262 Q CA -0.626 55.177 55.803 -0.001 0.000 0.804 262 Q CB 2.580 31.308 28.738 -0.016 0.000 1.286 262 Q HN 0.908 9.178 8.270 -0.000 0.000 0.448 263 H N -0.241 118.776 119.070 -0.088 0.000 3.121 263 H HA 0.121 4.676 4.556 -0.002 0.000 0.337 263 H C -0.241 175.062 175.328 -0.043 0.000 1.198 263 H CA -0.311 55.679 56.048 -0.095 0.000 1.274 263 H CB 1.300 30.973 29.762 -0.148 0.000 1.954 263 H HN 0.673 8.953 8.280 -0.000 0.000 0.531 264 E N 2.474 122.299 120.200 -0.626 0.000 2.130 264 E HA -0.152 4.197 4.350 -0.002 0.000 0.196 264 E C 1.725 178.242 176.600 -0.139 0.000 0.998 264 E CA 1.341 57.535 56.400 -0.343 0.000 0.806 264 E CB -0.108 29.375 29.700 -0.362 0.000 0.738 264 E HN 0.758 9.118 8.360 -0.000 0.000 0.459 265 G N 0.701 109.481 108.800 -0.034 0.000 2.625 265 G HA2 -0.055 3.903 3.960 -0.002 0.000 0.214 265 G HA3 -0.055 3.903 3.960 -0.002 0.000 0.214 265 G C 0.608 175.611 174.900 0.173 0.000 1.132 265 G CA 0.005 45.224 45.100 0.198 0.000 0.782 265 G HN 0.005 8.295 8.290 -0.000 0.000 0.538 266 L N -0.047 121.262 121.223 0.143 0.000 2.418 266 L HA 0.237 4.576 4.340 -0.002 0.000 0.265 266 L C -0.798 176.103 176.870 0.051 0.000 1.143 266 L CA -1.793 53.102 54.840 0.092 0.000 0.809 266 L CB 1.284 43.393 42.059 0.083 0.000 1.124 266 L HN -0.083 8.147 8.230 -0.000 0.000 0.456 267 P HA -0.219 4.201 4.420 -0.000 0.000 0.213 267 P C -0.481 176.830 177.300 0.018 0.000 1.176 267 P CA 0.966 64.084 63.100 0.028 0.000 0.919 267 P CB 0.088 31.803 31.700 0.026 0.000 0.791 268 E N -1.139 119.071 120.200 0.017 0.000 3.117 268 E HA -0.116 4.232 4.350 -0.002 0.000 0.156 268 E C -1.922 174.692 176.600 0.024 0.000 1.699 268 E CA -0.478 55.934 56.400 0.020 0.000 0.728 268 E CB -0.788 28.922 29.700 0.018 0.000 1.091 268 E HN 0.297 8.657 8.360 -0.000 0.000 0.369 269 P HA -0.061 4.359 4.420 -0.000 0.000 0.268 269 P C -0.418 176.896 177.300 0.024 0.000 1.189 269 P CA -0.069 63.055 63.100 0.039 0.000 0.771 269 P CB 0.556 32.297 31.700 0.068 0.000 0.822 270 L N 2.402 123.625 121.223 -0.001 0.000 2.322 270 L HA 0.546 4.885 4.340 -0.002 0.000 0.279 270 L C 0.063 176.837 176.870 -0.161 0.000 1.036 270 L CA -0.592 54.215 54.840 -0.054 0.000 0.807 270 L CB 1.021 43.053 42.059 -0.045 0.000 1.226 270 L HN 0.468 8.698 8.230 -0.000 0.000 0.433 271 M N 5.336 124.819 119.600 -0.194 0.000 2.259 271 M HA 0.544 5.023 4.480 -0.002 0.000 0.304 271 M C -1.917 174.277 176.300 -0.178 0.000 1.019 271 M CA -0.380 54.728 55.300 -0.319 0.000 0.922 271 M CB 1.175 33.574 32.600 -0.335 0.000 1.600 271 M HN 0.468 8.758 8.290 -0.000 0.000 0.433 272 L N 3.849 124.962 121.223 -0.182 0.000 2.341 272 L HA 0.748 5.087 4.340 -0.002 0.000 0.267 272 L C -0.577 176.300 176.870 0.011 0.000 1.009 272 L CA -0.938 53.855 54.840 -0.078 0.000 0.819 272 L CB 2.442 44.443 42.059 -0.096 0.000 1.323 272 L HN 0.735 8.965 8.230 -0.000 0.000 0.425 273 R N 0.430 120.996 120.500 0.110 0.000 2.643 273 R HA 0.209 4.547 4.340 -0.002 0.000 0.269 273 R C -1.960 174.496 176.300 0.260 0.000 1.037 273 R CA -0.739 55.494 56.100 0.221 0.000 0.894 273 R CB 2.152 32.533 30.300 0.135 0.000 1.238 273 R HN 0.590 8.860 8.270 -0.000 0.000 0.459 274 W N 5.209 126.602 121.300 0.155 0.000 2.419 274 W HA 0.369 5.027 4.660 -0.002 0.000 0.312 274 W C -0.753 175.776 176.519 0.018 0.000 1.323 274 W CA 0.334 57.733 57.345 0.089 0.000 1.293 274 W CB 0.331 29.824 29.460 0.056 0.000 1.324 274 W HN 0.487 8.667 8.180 -0.000 0.000 0.512 275 K N 0.000 120.037 120.400 -0.604 0.000 2.780 275 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 275 K CA 0.000 55.734 56.287 -0.922 0.000 0.838 275 K CB 0.000 32.148 32.500 -0.586 0.000 1.064 275 K HN 0.000 8.250 8.250 -0.000 0.000 0.543