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 1zc1_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFSGFSSFGG GNGFVNMPQT FEEFFRCYPI AMMNDRIRKD DANFGGKIFL DATA SEQUENCE PPSALSKLSM LNIRYPMLFK LTANETGRVT HGGVLEFIAE EGRVYLPQWM DATA SEQUENCE METLGIQPGS LLQISSTDVP LGQFVKLEPQ SVDFLDISDP KAVLENVLRN DATA SEQUENCE FSTLTVDDVI EISYNGKTFK IKILEVKPES SSKSICVIET DLVTDFAPPV DATA SEQUENCE GYVEPDYK 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 4.357 4.480 -0.205 0.000 0.227 1 M C 0.000 176.063 176.300 -0.395 0.000 1.140 1 M CA 0.000 55.189 55.300 -0.185 0.000 0.988 1 M CB 0.000 32.541 32.600 -0.098 0.000 1.302 2 F N 1.100 121.015 119.950 -0.060 0.000 2.495 2 F HA 0.277 4.761 4.527 -0.071 0.000 0.327 2 F C -0.701 174.976 175.800 -0.206 0.000 1.103 2 F CA -0.541 57.402 58.000 -0.095 0.000 0.949 2 F CB 1.488 40.450 39.000 -0.063 0.000 1.142 2 F HN -0.274 8.130 8.300 0.174 0.000 0.457 3 S N 1.637 117.185 115.700 -0.252 0.000 2.502 3 S HA 0.169 4.431 4.470 -0.345 0.000 0.304 3 S C 0.579 174.687 174.600 -0.819 0.000 1.097 3 S CA -0.945 56.876 58.200 -0.632 0.000 1.045 3 S CB 1.135 63.736 63.200 -0.998 0.000 1.019 3 S HN 0.118 8.292 8.310 -0.226 0.000 0.481 4 G N 4.932 113.490 108.800 -0.403 0.000 2.443 4 G HA2 -0.186 3.725 3.960 -0.083 0.000 0.219 4 G HA3 -0.186 3.724 3.960 -0.083 0.000 0.219 4 G C 0.025 174.898 174.900 -0.046 0.000 1.131 4 G CA 0.341 45.339 45.100 -0.171 0.000 0.775 4 G HN 0.569 8.688 8.290 -0.285 0.000 0.547 5 F N -3.706 116.275 119.950 0.051 0.000 3.057 5 F HA -0.474 4.076 4.527 0.040 0.000 0.287 5 F C -1.073 174.753 175.800 0.043 0.000 0.834 5 F CA 0.238 58.264 58.000 0.043 0.000 1.147 5 F CB -2.601 36.424 39.000 0.040 0.000 1.245 5 F HN -0.505 7.525 8.300 -0.410 0.024 0.509 6 S N -1.494 114.298 115.700 0.152 0.000 2.538 6 S HA 0.177 4.729 4.470 0.137 0.000 0.288 6 S C -0.849 173.819 174.600 0.113 0.000 1.108 6 S CA -0.802 57.475 58.200 0.128 0.000 0.971 6 S CB 2.276 65.543 63.200 0.111 0.000 1.041 6 S HN -0.536 7.798 8.310 0.085 0.027 0.483 7 S N 3.390 119.160 115.700 0.117 0.000 2.519 7 S HA 0.181 4.723 4.470 0.121 0.000 0.309 7 S C -0.665 174.029 174.600 0.156 0.000 1.100 7 S CA -0.251 58.019 58.200 0.116 0.000 1.059 7 S CB 1.127 64.370 63.200 0.073 0.000 1.008 7 S HN 0.104 8.480 8.310 0.110 0.000 0.478 8 F N 7.848 127.809 119.950 0.019 0.000 2.449 8 F HA 0.105 4.641 4.527 0.014 0.000 0.342 8 F C 0.037 175.846 175.800 0.015 0.000 1.127 8 F CA -0.115 57.895 58.000 0.015 0.000 0.975 8 F CB 1.309 40.317 39.000 0.013 0.000 1.146 8 F HN 0.255 8.705 8.300 0.250 0.000 0.444 9 G N 4.627 113.076 108.800 -0.585 0.000 2.622 9 G HA2 -0.371 3.346 3.960 -0.404 0.000 0.307 9 G HA3 -0.371 3.365 3.960 -0.373 0.000 0.307 9 G C 0.012 174.845 174.900 -0.112 0.000 1.226 9 G CA -0.420 44.452 45.100 -0.380 0.000 0.997 9 G HN 0.175 8.013 8.290 -0.755 0.000 0.551 10 G N -2.637 106.150 108.800 -0.022 0.000 2.217 10 G HA2 -0.159 3.839 3.960 0.063 0.000 0.246 10 G HA3 -0.159 3.821 3.960 0.033 0.000 0.246 10 G C 0.948 175.873 174.900 0.042 0.000 0.990 10 G CA 1.660 46.779 45.100 0.033 0.000 0.627 10 G HN 1.301 9.585 8.290 -0.010 0.000 0.522 11 G N 0.981 109.778 108.800 -0.004 0.000 2.394 11 G HA2 -0.245 3.717 3.960 0.003 0.000 0.215 11 G HA3 -0.245 3.696 3.960 -0.032 0.000 0.215 11 G C 1.255 176.208 174.900 0.088 0.000 1.165 11 G CA 0.476 45.584 45.100 0.012 0.000 0.784 11 G HN -0.014 8.160 8.290 -0.050 0.086 0.535 12 N N 1.140 119.874 118.700 0.057 0.000 2.166 12 N HA -0.194 4.587 4.740 0.068 0.000 0.186 12 N C 1.534 177.097 175.510 0.089 0.000 1.019 12 N CA 1.387 54.477 53.050 0.066 0.000 0.856 12 N CB -0.365 38.149 38.487 0.044 0.000 0.993 12 N HN 0.028 8.424 8.380 0.025 0.000 0.426 13 G N -4.334 104.523 108.800 0.096 0.000 2.776 13 G HA2 -0.160 3.835 3.960 0.059 0.000 0.209 13 G HA3 -0.160 3.850 3.960 0.084 0.000 0.209 13 G C -1.101 173.871 174.900 0.120 0.000 1.145 13 G CA -0.215 44.938 45.100 0.088 0.000 0.791 13 G HN -0.215 8.118 8.290 0.088 0.009 0.530 14 F N 1.736 121.690 119.950 0.006 0.000 2.408 14 F HA 0.168 4.700 4.527 0.009 0.000 0.344 14 F C -1.356 174.448 175.800 0.007 0.000 1.112 14 F CA -0.246 57.758 58.000 0.006 0.000 1.096 14 F CB 1.569 40.571 39.000 0.003 0.000 1.129 14 F HN -0.629 7.607 8.300 0.256 0.218 0.486 15 V N 8.664 128.216 119.914 -0.604 0.000 2.398 15 V HA 0.108 4.142 4.120 -0.143 0.000 0.286 15 V C -0.901 174.890 176.094 -0.505 0.000 1.026 15 V CA -1.182 60.895 62.300 -0.372 0.000 0.868 15 V CB 0.988 32.666 31.823 -0.242 0.000 0.982 15 V HN 0.144 7.811 8.190 -0.871 0.000 0.443 16 N N 6.068 124.686 118.700 -0.137 0.000 2.520 16 N HA 0.060 4.817 4.740 0.028 0.000 0.273 16 N C -1.052 174.436 175.510 -0.036 0.000 1.155 16 N CA -0.122 52.926 53.050 -0.003 0.000 0.967 16 N CB 0.673 39.232 38.487 0.120 0.000 1.092 16 N HN 0.170 8.531 8.380 -0.031 0.000 0.457 17 M N 4.759 124.352 119.600 -0.011 0.000 2.088 17 M HA 0.283 4.752 4.480 -0.018 0.000 0.346 17 M C -2.226 174.094 176.300 0.033 0.000 1.111 17 M CA -1.886 53.412 55.300 -0.002 0.000 1.017 17 M CB 0.720 33.317 32.600 -0.005 0.000 1.568 17 M HN -0.050 8.254 8.290 0.023 0.000 0.445 18 P HA -0.023 4.490 4.420 0.049 -0.063 0.270 18 P C -1.275 176.064 177.300 0.065 0.000 1.227 18 P CA -0.426 62.704 63.100 0.049 0.000 0.788 18 P CB 0.674 32.404 31.700 0.049 0.000 0.926 19 Q N 0.473 120.320 119.800 0.078 0.000 2.314 19 Q HA 0.207 4.606 4.340 0.098 0.000 0.259 19 Q C -1.116 174.966 176.000 0.136 0.000 0.951 19 Q CA -0.965 54.899 55.803 0.101 0.000 0.909 19 Q CB 1.493 30.288 28.738 0.094 0.000 1.236 19 Q HN 0.117 8.431 8.270 0.072 0.000 0.444 20 T N 4.237 118.882 114.554 0.152 0.000 2.792 20 T HA 0.657 5.300 4.350 0.193 -0.177 0.280 20 T C -1.292 173.559 174.700 0.250 0.000 0.990 20 T CA -1.559 60.646 62.100 0.176 0.000 0.960 20 T CB 1.196 70.133 68.868 0.114 0.000 0.939 20 T HN 0.228 8.549 8.240 0.136 0.000 0.439 21 F N 8.011 128.022 119.950 0.102 0.000 2.556 21 F HA 0.318 4.893 4.527 0.080 0.000 0.314 21 F C -2.500 173.355 175.800 0.092 0.000 1.106 21 F CA -1.231 56.830 58.000 0.102 0.000 0.911 21 F CB 4.299 43.382 39.000 0.137 0.000 1.190 21 F HN 0.658 9.071 8.300 0.338 0.089 0.448 22 E N 6.304 126.255 120.200 -0.415 0.000 2.199 22 E HA 0.206 4.530 4.350 -0.044 0.000 0.269 22 E C -2.016 174.399 176.600 -0.309 0.000 0.899 22 E CA -1.225 55.038 56.400 -0.228 0.000 0.772 22 E CB 2.670 32.269 29.700 -0.168 0.000 1.155 22 E HN 0.284 8.142 8.360 -0.837 0.000 0.408 23 E N 2.821 122.956 120.200 -0.108 0.000 2.356 23 E HA 0.342 4.515 4.350 -0.295 0.000 0.275 23 E C -1.725 174.723 176.600 -0.255 0.000 0.904 23 E CA -1.912 54.371 56.400 -0.196 0.000 0.757 23 E CB 4.348 34.084 29.700 0.061 0.000 1.232 23 E HN -0.139 8.197 8.360 -0.039 0.000 0.442 24 F N -0.503 119.056 119.950 -0.653 0.000 2.493 24 F HA 0.418 4.756 4.527 -0.316 0.000 0.329 24 F C -2.053 173.197 175.800 -0.917 0.000 1.126 24 F CA -1.185 56.483 58.000 -0.553 0.000 0.937 24 F CB 1.765 40.542 39.000 -0.372 0.000 1.146 24 F HN 0.007 7.504 8.300 -1.338 0.000 0.442 25 F N 1.595 121.524 119.950 -0.035 0.000 2.662 25 F HA 0.260 4.731 4.527 -0.094 0.000 0.312 25 F C -1.546 174.183 175.800 -0.118 0.000 1.113 25 F CA -1.142 56.793 58.000 -0.109 0.000 0.951 25 F CB 3.887 42.785 39.000 -0.171 0.000 1.344 25 F HN -0.076 8.234 8.300 0.018 0.000 0.462 26 R N 0.687 121.197 120.500 0.017 0.000 2.297 26 R HA 0.288 4.524 4.340 -0.172 0.000 0.308 26 R C -1.159 174.837 176.300 -0.506 0.000 1.029 26 R CA -0.523 55.432 56.100 -0.241 0.000 0.929 26 R CB 1.168 31.291 30.300 -0.294 0.000 1.046 26 R HN 0.721 9.045 8.270 0.089 0.000 0.461 27 C N 2.317 121.326 119.300 -0.485 0.000 2.366 27 C HA 0.959 5.246 4.460 -0.516 -0.136 0.345 27 C C -1.372 173.244 174.990 -0.623 0.000 1.209 27 C CA -2.778 55.946 59.018 -0.490 0.000 2.050 27 C CB 2.352 29.957 27.740 -0.226 0.000 2.359 27 C HN -0.013 8.015 8.230 -0.337 0.000 0.527 28 Y N 1.370 121.504 120.300 -0.278 0.000 2.512 28 Y HA 0.280 4.753 4.550 -0.129 0.000 0.348 28 Y C -2.508 173.338 175.900 -0.090 0.000 0.990 28 Y CA -2.924 55.047 58.100 -0.215 0.000 1.033 28 Y CB 2.821 41.084 38.460 -0.327 0.000 1.259 28 Y HN 0.852 8.866 8.280 -0.442 0.000 0.461 29 P HA 0.207 4.674 4.420 0.080 0.000 0.274 29 P C 0.073 177.475 177.300 0.170 0.000 1.291 29 P CA -0.164 63.006 63.100 0.117 0.000 0.815 29 P CB -0.108 31.638 31.700 0.076 0.000 0.897 30 I N 5.553 126.241 120.570 0.196 0.000 2.454 30 I HA -0.485 3.863 4.170 0.296 0.000 0.254 30 I C 1.392 177.564 176.117 0.091 0.000 1.156 30 I CA 3.243 64.664 61.300 0.201 0.000 1.433 30 I CB -0.693 37.412 38.000 0.175 0.000 1.082 30 I HN -0.272 8.035 8.210 0.161 0.000 0.432 31 A N -1.114 121.741 122.820 0.057 0.000 1.940 31 A HA -0.303 4.023 4.320 0.010 0.000 0.219 31 A C 0.803 178.406 177.584 0.031 0.000 1.176 31 A CA 2.647 54.700 52.037 0.026 0.000 0.631 31 A CB -0.548 18.459 19.000 0.012 0.000 0.814 31 A HN 0.129 8.280 8.150 0.058 0.034 0.446 32 M N -6.023 113.602 119.600 0.042 0.000 2.374 32 M HA -0.186 4.306 4.480 0.020 0.000 0.264 32 M C 0.514 176.827 176.300 0.023 0.000 1.067 32 M CA 1.288 56.605 55.300 0.029 0.000 1.103 32 M CB 0.164 32.779 32.600 0.025 0.000 1.402 32 M HN -0.808 7.506 8.290 0.058 0.011 0.444 33 M N 0.373 119.994 119.600 0.034 0.000 2.248 33 M HA -0.172 4.308 4.480 0.001 0.000 0.345 33 M C -0.979 175.317 176.300 -0.008 0.000 1.243 33 M CA 0.587 55.890 55.300 0.005 0.000 1.090 33 M CB 0.277 32.866 32.600 -0.019 0.000 1.683 33 M HN -0.724 7.446 8.290 0.059 0.155 0.450 34 N N 2.134 120.823 118.700 -0.020 0.000 2.454 34 N HA -0.120 4.616 4.740 -0.005 0.000 0.254 34 N C -0.111 175.390 175.510 -0.014 0.000 1.228 34 N CA 0.046 53.087 53.050 -0.015 0.000 0.900 34 N CB 0.501 38.976 38.487 -0.020 0.000 1.089 34 N HN 0.004 8.368 8.380 -0.027 0.000 0.449 35 D N 2.263 122.663 120.400 0.001 0.000 2.149 35 D HA -0.277 4.373 4.640 0.016 0.000 0.198 35 D C 2.229 178.530 176.300 0.000 0.000 0.990 35 D CA 3.685 57.691 54.000 0.010 0.000 0.839 35 D CB -0.080 40.734 40.800 0.022 0.000 0.948 35 D HN 0.360 8.733 8.370 0.005 0.000 0.460 36 R N -1.725 118.772 120.500 -0.007 0.000 2.105 36 R HA -0.245 4.091 4.340 -0.005 0.000 0.239 36 R C 1.494 177.779 176.300 -0.025 0.000 1.135 36 R CA 2.606 58.699 56.100 -0.012 0.000 0.967 36 R CB -0.329 29.964 30.300 -0.013 0.000 0.861 36 R HN 0.257 8.514 8.270 -0.006 0.010 0.442 37 I N -6.760 113.786 120.570 -0.040 0.000 3.793 37 I HA 0.076 4.209 4.170 -0.063 0.000 0.315 37 I C -0.726 175.334 176.117 -0.094 0.000 1.275 37 I CA -0.220 61.039 61.300 -0.069 0.000 1.214 37 I CB -0.070 37.880 38.000 -0.084 0.000 1.018 37 I HN -0.497 7.682 8.210 -0.036 0.010 0.439 38 R N -0.983 119.482 120.500 -0.059 0.000 2.888 38 R HA 0.273 4.558 4.340 -0.090 0.000 0.266 38 R C -1.538 174.766 176.300 0.006 0.000 1.020 38 R CA -2.276 53.794 56.100 -0.050 0.000 0.963 38 R CB 2.597 32.870 30.300 -0.045 0.000 1.197 38 R HN -0.760 7.288 8.270 -0.035 0.200 0.481 39 K N 0.369 120.794 120.400 0.042 0.000 2.185 39 K HA 0.146 4.498 4.320 0.053 0.000 0.269 39 K C -0.008 176.652 176.600 0.100 0.000 0.987 39 K CA -1.182 55.146 56.287 0.069 0.000 0.865 39 K CB 1.485 34.035 32.500 0.083 0.000 1.090 39 K HN 0.154 8.435 8.250 0.050 0.000 0.450 40 D N 6.412 126.878 120.400 0.110 0.000 2.117 40 D HA -0.311 4.449 4.640 0.200 0.000 0.197 40 D C 1.180 177.629 176.300 0.248 0.000 0.987 40 D CA 3.694 57.802 54.000 0.180 0.000 0.829 40 D CB -0.454 40.433 40.800 0.145 0.000 0.961 40 D HN 0.596 9.016 8.370 0.083 0.000 0.460 41 D N -1.390 119.109 120.400 0.165 0.000 2.144 41 D HA -0.249 4.509 4.640 0.196 0.000 0.199 41 D C 2.183 178.586 176.300 0.172 0.000 0.984 41 D CA 3.227 57.324 54.000 0.161 0.000 0.834 41 D CB -0.775 40.075 40.800 0.085 0.000 0.955 41 D HN 0.172 8.604 8.370 0.116 0.009 0.465 42 A N -1.570 121.332 122.820 0.136 0.000 1.902 42 A HA -0.206 4.155 4.320 0.069 0.000 0.217 42 A C 2.511 180.182 177.584 0.145 0.000 1.181 42 A CA 2.678 54.786 52.037 0.119 0.000 0.623 42 A CB -0.621 18.471 19.000 0.152 0.000 0.818 42 A HN 0.041 8.174 8.150 0.126 0.094 0.443 43 N N -1.530 117.255 118.700 0.142 0.000 2.120 43 N HA -0.251 4.507 4.740 0.030 0.000 0.188 43 N C 0.877 176.387 175.510 0.001 0.000 1.024 43 N CA 2.688 55.756 53.050 0.030 0.000 0.852 43 N CB 0.006 38.463 38.487 -0.051 0.000 1.003 43 N HN -0.510 7.873 8.380 0.160 0.094 0.424 44 F N -4.675 115.411 119.950 0.226 0.000 2.664 44 F HA 0.050 4.789 4.527 0.354 0.000 0.303 44 F C -0.490 175.460 175.800 0.250 0.000 1.092 44 F CA 0.268 58.413 58.000 0.242 0.000 1.305 44 F CB 0.438 39.502 39.000 0.106 0.000 1.054 44 F HN -0.836 7.624 8.300 0.424 0.095 0.565 45 G N -2.386 106.610 108.800 0.326 0.000 2.531 45 G HA2 0.180 4.132 3.960 -0.014 0.000 0.313 45 G HA3 0.180 4.174 3.960 -0.008 -0.039 0.313 45 G C -1.291 173.648 174.900 0.065 0.000 1.238 45 G CA -1.528 43.619 45.100 0.079 0.000 0.994 45 G HN -0.732 7.516 8.290 0.283 0.212 0.493 46 G N -4.169 104.349 108.800 -0.470 0.000 3.707 46 G HA2 0.171 4.246 3.960 0.193 0.000 0.286 46 G HA3 0.171 3.648 3.960 -0.805 0.000 0.286 46 G C -1.502 173.301 174.900 -0.161 0.000 1.112 46 G CA -0.596 44.330 45.100 -0.291 0.000 0.861 46 G HN 0.262 8.103 8.290 -0.748 0.000 0.534 47 K N -0.354 119.943 120.400 -0.172 0.000 2.159 47 K HA 0.188 4.438 4.320 -0.179 -0.037 0.266 47 K C -1.342 175.134 176.600 -0.206 0.000 0.975 47 K CA -0.763 55.402 56.287 -0.204 0.000 0.865 47 K CB 2.014 34.352 32.500 -0.270 0.000 1.087 47 K HN -0.481 7.598 8.250 -0.154 0.078 0.446 48 I N -2.518 117.926 120.570 -0.211 0.000 2.846 48 I HA 0.542 4.770 4.170 -0.048 -0.087 0.307 48 I C -1.513 174.431 176.117 -0.289 0.000 1.053 48 I CA -2.564 58.656 61.300 -0.134 0.000 1.050 48 I CB 3.625 41.627 38.000 0.003 0.000 1.239 48 I HN -0.003 8.094 8.210 -0.188 0.000 0.439 49 F N 1.383 121.352 119.950 0.031 0.000 2.420 49 F HA 0.469 5.070 4.527 -0.116 -0.144 0.342 49 F C -0.888 174.879 175.800 -0.054 0.000 1.113 49 F CA -0.945 57.051 58.000 -0.007 0.000 1.059 49 F CB 1.703 40.766 39.000 0.104 0.000 1.128 49 F HN -0.438 8.093 8.300 0.386 0.000 0.475 50 L N 1.617 122.819 121.223 -0.034 0.000 2.309 50 L HA 0.770 5.121 4.340 -0.196 -0.129 0.261 50 L C -2.266 174.738 176.870 0.223 0.000 1.021 50 L CA -3.988 50.805 54.840 -0.079 0.000 0.823 50 L CB 3.790 45.786 42.059 -0.105 0.000 1.366 50 L HN -0.285 7.836 8.230 -0.183 0.000 0.423 51 P HA 0.618 5.231 4.420 0.122 -0.119 0.278 51 P C -1.021 176.331 177.300 0.087 0.000 1.238 51 P CA -2.365 60.767 63.100 0.053 0.000 0.794 51 P CB -0.420 31.191 31.700 -0.149 0.000 0.955 52 P HA -0.153 3.971 4.420 -0.493 0.000 0.222 52 P C 1.403 178.553 177.300 -0.250 0.000 1.147 52 P CA 2.168 65.143 63.100 -0.208 0.000 0.790 52 P CB -0.082 31.592 31.700 -0.044 0.000 0.780 53 S N -0.443 115.195 115.700 -0.104 0.000 2.383 53 S HA -0.308 4.134 4.470 -0.046 0.000 0.229 53 S C 1.714 176.291 174.600 -0.038 0.000 1.030 53 S CA 4.409 62.585 58.200 -0.040 0.000 1.002 53 S CB -0.551 62.674 63.200 0.041 0.000 0.829 53 S HN 0.339 8.583 8.310 -0.050 0.036 0.467 54 A N 1.051 123.854 122.820 -0.029 0.000 1.898 54 A HA -0.270 4.177 4.320 0.211 0.000 0.216 54 A C 1.478 178.980 177.584 -0.136 0.000 1.181 54 A CA 2.782 54.866 52.037 0.078 0.000 0.620 54 A CB -0.697 18.448 19.000 0.240 0.000 0.819 54 A HN -0.715 7.389 8.150 -0.063 0.008 0.442 55 L N -0.870 120.024 121.223 -0.547 0.000 2.046 55 L HA -0.254 3.870 4.340 -0.359 0.000 0.208 55 L C 1.923 178.615 176.870 -0.297 0.000 1.077 55 L CA 2.486 56.963 54.840 -0.605 0.000 0.747 55 L CB -0.423 40.894 42.059 -1.238 0.000 0.896 55 L HN -0.630 7.113 8.230 -0.811 0.000 0.432 56 S N -1.279 114.277 115.700 -0.240 0.000 2.368 56 S HA -0.346 4.049 4.470 -0.126 0.000 0.225 56 S C 2.102 176.653 174.600 -0.082 0.000 1.030 56 S CA 3.471 61.594 58.200 -0.130 0.000 0.999 56 S CB -0.759 62.387 63.200 -0.090 0.000 0.844 56 S HN -0.183 7.958 8.310 -0.283 0.000 0.459 57 K N 2.198 122.567 120.400 -0.051 0.000 2.057 57 K HA -0.249 4.098 4.320 0.044 0.000 0.207 57 K C 2.341 178.873 176.600 -0.112 0.000 1.049 57 K CA 2.896 59.196 56.287 0.021 0.000 0.931 57 K CB -0.199 32.426 32.500 0.208 0.000 0.714 57 K HN -0.829 7.380 8.250 -0.054 0.009 0.440 58 L N -1.751 119.287 121.223 -0.308 0.000 2.083 58 L HA -0.401 3.466 4.340 -0.789 0.000 0.209 58 L C 2.163 178.915 176.870 -0.198 0.000 1.083 58 L CA 2.882 57.450 54.840 -0.453 0.000 0.752 58 L CB -0.324 41.515 42.059 -0.366 0.000 0.899 58 L HN -0.368 7.628 8.230 -0.252 0.083 0.433 59 S N -0.625 115.001 115.700 -0.123 0.000 2.370 59 S HA -0.360 4.077 4.470 -0.054 0.000 0.226 59 S C 2.345 176.921 174.600 -0.040 0.000 1.033 59 S CA 3.374 61.534 58.200 -0.067 0.000 1.011 59 S CB -0.181 62.983 63.200 -0.061 0.000 0.852 59 S HN -0.447 7.688 8.310 -0.135 0.095 0.457 60 M N -0.551 119.031 119.600 -0.030 0.000 2.149 60 M HA -0.206 4.277 4.480 0.005 0.000 0.261 60 M C 1.506 177.818 176.300 0.019 0.000 1.064 60 M CA 2.255 57.558 55.300 0.005 0.000 1.102 60 M CB -1.141 31.476 32.600 0.028 0.000 1.369 60 M HN -0.682 7.487 8.290 -0.044 0.095 0.408 61 L N -3.444 117.783 121.223 0.008 0.000 2.610 61 L HA -0.040 4.342 4.340 0.070 0.000 0.232 61 L C -0.761 176.121 176.870 0.019 0.000 1.149 61 L CA 0.282 55.145 54.840 0.037 0.000 0.872 61 L CB -0.332 41.759 42.059 0.054 0.000 0.992 61 L HN -0.779 7.308 8.230 -0.035 0.122 0.447 62 N N -3.313 115.387 118.700 -0.000 0.000 2.756 62 N HA -0.399 4.403 4.740 0.002 -0.061 0.248 62 N C -1.366 174.149 175.510 0.008 0.000 1.062 62 N CA 1.278 54.333 53.050 0.007 0.000 0.696 62 N CB -2.227 36.273 38.487 0.021 0.000 0.946 62 N HN -0.122 8.024 8.380 -0.011 0.228 0.548 63 I N -1.062 119.501 120.570 -0.012 0.000 2.352 63 I HA -0.055 4.122 4.170 0.012 0.000 0.290 63 I C 0.380 176.512 176.117 0.025 0.000 1.036 63 I CA -1.537 59.762 61.300 -0.002 0.000 1.336 63 I CB -1.127 36.849 38.000 -0.041 0.000 1.407 63 I HN -0.706 7.482 8.210 -0.036 0.000 0.497 64 R N 7.288 127.807 120.500 0.031 0.000 2.543 64 R HA -0.053 4.326 4.340 0.065 0.000 0.277 64 R C -1.047 175.293 176.300 0.068 0.000 1.074 64 R CA -0.258 55.872 56.100 0.050 0.000 1.076 64 R CB 0.731 31.050 30.300 0.032 0.000 0.993 64 R HN 0.219 8.503 8.270 0.025 0.000 0.459 65 Y N 4.207 124.490 120.300 -0.028 0.000 2.301 65 Y HA 0.115 4.707 4.550 -0.051 -0.073 0.325 65 Y C -1.492 174.388 175.900 -0.034 0.000 1.203 65 Y CA -2.684 55.394 58.100 -0.036 0.000 1.255 65 Y CB 0.798 39.242 38.460 -0.027 0.000 1.232 65 Y HN 0.070 8.469 8.280 0.198 0.000 0.501 66 P HA 0.046 2.310 4.420 -3.594 0.000 0.274 66 P C -2.105 174.812 177.300 -0.638 0.000 1.237 66 P CA -0.540 61.701 63.100 -1.432 0.000 0.793 66 P CB 1.243 32.343 31.700 -1.000 0.000 0.977 67 M N -0.103 119.161 119.600 -0.560 0.000 2.264 67 M HA 0.028 4.374 4.480 -0.223 0.000 0.352 67 M C -0.517 175.493 176.300 -0.483 0.000 1.173 67 M CA -0.054 55.036 55.300 -0.350 0.000 1.075 67 M CB 1.986 34.435 32.600 -0.251 0.000 1.621 67 M HN -0.099 7.746 8.290 -0.741 0.000 0.457 68 L N 0.997 122.032 121.223 -0.313 0.000 2.317 68 L HA 0.315 4.502 4.340 -0.254 0.000 0.281 68 L C -1.438 175.413 176.870 -0.032 0.000 1.024 68 L CA -0.892 53.832 54.840 -0.192 0.000 0.810 68 L CB 1.929 43.970 42.059 -0.030 0.000 1.240 68 L HN 0.373 8.493 8.230 -0.184 0.000 0.427 69 F N 1.608 121.620 119.950 0.104 0.000 2.532 69 F HA 0.712 5.523 4.527 0.143 -0.198 0.321 69 F C -1.015 174.857 175.800 0.119 0.000 1.089 69 F CA -3.328 54.743 58.000 0.118 0.000 0.926 69 F CB 3.198 42.250 39.000 0.086 0.000 1.168 69 F HN -0.075 8.269 8.300 0.073 0.000 0.459 70 K N 2.392 122.963 120.400 0.284 0.000 2.292 70 K HA 0.340 4.665 4.320 0.008 0.000 0.257 70 K C -1.491 175.103 176.600 -0.011 0.000 0.940 70 K CA -1.445 54.863 56.287 0.035 0.000 0.811 70 K CB 3.452 35.882 32.500 -0.117 0.000 1.120 70 K HN 0.815 9.221 8.250 0.317 0.035 0.428 71 L N 8.159 129.348 121.223 -0.056 0.000 2.292 71 L HA 0.986 5.661 4.340 -0.025 -0.350 0.284 71 L C -0.634 176.192 176.870 -0.073 0.000 1.065 71 L CA -1.274 53.538 54.840 -0.047 0.000 0.806 71 L CB 1.255 43.291 42.059 -0.039 0.000 1.175 71 L HN 0.932 9.017 8.230 -0.079 0.097 0.431 72 T N 4.372 118.894 114.554 -0.052 0.000 2.812 72 T HA 0.242 4.556 4.350 -0.060 0.000 0.282 72 T C -1.925 172.750 174.700 -0.041 0.000 0.990 72 T CA -0.806 61.264 62.100 -0.050 0.000 0.960 72 T CB 1.586 70.428 68.868 -0.043 0.000 0.948 72 T HN 0.236 8.453 8.240 -0.039 0.000 0.438 73 A N 7.019 129.816 122.820 -0.038 0.000 2.285 73 A HA 0.473 4.772 4.320 -0.034 0.000 0.310 73 A C -1.249 176.318 177.584 -0.028 0.000 1.266 73 A CA -2.178 49.840 52.037 -0.033 0.000 0.832 73 A CB 1.948 20.929 19.000 -0.031 0.000 1.163 73 A HN -0.185 7.942 8.150 -0.039 0.000 0.499 74 N N 5.310 123.992 118.700 -0.030 0.000 2.142 74 N HA -0.299 4.425 4.740 -0.027 0.000 0.186 74 N C 0.770 176.267 175.510 -0.023 0.000 1.023 74 N CA 2.447 55.480 53.050 -0.028 0.000 0.852 74 N CB -0.131 38.337 38.487 -0.033 0.000 0.998 74 N HN 0.473 8.834 8.380 -0.032 0.000 0.424 75 E N -1.405 118.782 120.200 -0.022 0.000 2.118 75 E HA -0.253 4.087 4.350 -0.017 0.000 0.195 75 E C 0.900 177.492 176.600 -0.013 0.000 0.992 75 E CA 2.706 59.096 56.400 -0.017 0.000 0.804 75 E CB -0.002 29.689 29.700 -0.016 0.000 0.741 75 E HN -0.047 8.299 8.360 -0.024 0.000 0.458 76 T N -7.694 106.852 114.554 -0.014 0.000 3.022 76 T HA 0.009 4.355 4.350 -0.006 0.000 0.250 76 T C 1.146 175.841 174.700 -0.009 0.000 1.060 76 T CA -0.142 61.952 62.100 -0.009 0.000 1.013 76 T CB 1.438 70.302 68.868 -0.008 0.000 0.982 76 T HN -0.332 7.897 8.240 -0.017 0.000 0.508 77 G N 2.826 111.618 108.800 -0.013 0.000 2.196 77 G HA2 -0.399 3.566 3.960 -0.016 0.000 0.268 77 G HA3 -0.399 3.555 3.960 -0.010 0.000 0.268 77 G C -0.620 174.273 174.900 -0.011 0.000 0.975 77 G CA 0.575 45.667 45.100 -0.013 0.000 0.648 77 G HN 0.133 8.221 8.290 -0.017 0.192 0.538 78 R N 0.646 121.140 120.500 -0.011 0.000 2.407 78 R HA 0.242 4.579 4.340 -0.005 0.000 0.303 78 R C -1.455 174.831 176.300 -0.022 0.000 0.981 78 R CA -0.927 55.167 56.100 -0.009 0.000 0.905 78 R CB 1.704 32.004 30.300 -0.000 0.000 1.099 78 R HN -0.703 7.464 8.270 -0.012 0.095 0.459 79 V N -0.310 119.587 119.914 -0.029 0.000 2.407 79 V HA 0.686 4.864 4.120 -0.065 -0.096 0.291 79 V C -0.182 175.862 176.094 -0.084 0.000 1.018 79 V CA -1.654 60.606 62.300 -0.067 0.000 0.842 79 V CB 1.673 33.442 31.823 -0.089 0.000 0.996 79 V HN 0.240 8.421 8.190 -0.016 0.000 0.426 80 T N 3.087 117.594 114.554 -0.079 0.000 2.943 80 T HA 0.302 4.871 4.350 0.026 -0.204 0.284 80 T C -0.732 173.913 174.700 -0.092 0.000 1.015 80 T CA -2.233 59.848 62.100 -0.032 0.000 1.042 80 T CB 1.987 70.859 68.868 0.006 0.000 1.055 80 T HN 0.150 8.347 8.240 -0.072 0.000 0.500 81 H N 2.216 121.324 119.070 0.063 0.000 2.597 81 H HA 0.241 4.856 4.556 0.098 0.000 0.303 81 H C 0.469 175.870 175.328 0.121 0.000 1.057 81 H CA 0.177 56.279 56.048 0.090 0.000 1.261 81 H CB 1.317 31.127 29.762 0.080 0.000 1.397 81 H HN 0.937 9.852 8.280 0.242 -0.491 0.461 82 G N 3.949 112.877 108.800 0.213 0.000 2.461 82 G HA2 0.474 4.580 3.960 0.243 0.000 0.329 82 G HA3 0.474 4.516 3.960 0.137 0.000 0.329 82 G C -2.337 172.684 174.900 0.201 0.000 1.170 82 G CA -1.446 43.773 45.100 0.199 0.000 0.935 82 G HN -0.280 8.118 8.290 0.181 0.000 0.492 83 G N -1.858 107.034 108.800 0.153 0.000 2.462 83 G HA2 0.509 4.486 3.960 0.029 0.000 0.319 83 G HA3 0.509 4.516 3.960 0.013 -0.039 0.319 83 G C -2.375 172.507 174.900 -0.030 0.000 1.171 83 G CA -1.981 43.144 45.100 0.042 0.000 0.920 83 G HN -0.149 8.242 8.290 0.169 0.000 0.499 84 V N -0.152 119.673 119.914 -0.148 0.000 2.588 84 V HA 0.327 4.484 4.120 -0.160 -0.133 0.304 84 V C -1.113 174.816 176.094 -0.275 0.000 1.042 84 V CA -1.289 60.885 62.300 -0.210 0.000 0.877 84 V CB 2.850 34.485 31.823 -0.314 0.000 0.996 84 V HN 0.128 8.203 8.190 -0.192 0.000 0.425 85 L N 8.468 129.474 121.223 -0.362 0.000 2.228 85 L HA 0.240 4.447 4.340 -0.223 0.000 0.196 85 L C -1.014 175.694 176.870 -0.271 0.000 1.162 85 L CA 0.884 55.526 54.840 -0.330 0.000 0.801 85 L CB 1.614 43.381 42.059 -0.486 0.000 0.983 85 L HN -0.077 7.888 8.230 -0.442 0.000 0.471 86 E N -6.418 113.567 120.200 -0.358 0.000 2.430 86 E HA 0.119 4.365 4.350 -0.173 0.000 0.279 86 E C -1.877 174.584 176.600 -0.232 0.000 1.003 86 E CA -1.263 55.017 56.400 -0.200 0.000 0.801 86 E CB 2.703 32.401 29.700 -0.003 0.000 1.313 86 E HN -0.264 7.783 8.360 -0.522 0.000 0.459 87 F N 1.374 121.382 119.950 0.098 0.000 2.404 87 F HA 0.572 5.387 4.527 0.134 -0.207 0.358 87 F C 0.527 176.395 175.800 0.114 0.000 1.120 87 F CA 0.071 58.135 58.000 0.106 0.000 1.144 87 F CB 0.821 39.855 39.000 0.057 0.000 1.133 87 F HN 0.423 8.924 8.300 0.336 0.000 0.495 88 I N -2.297 118.439 120.570 0.276 0.000 4.439 88 I HA 0.396 4.659 4.170 0.155 0.000 0.331 88 I C -1.091 175.100 176.117 0.123 0.000 1.345 88 I CA -1.137 60.266 61.300 0.173 0.000 1.193 88 I CB 1.001 39.075 38.000 0.124 0.000 1.221 88 I HN -0.018 8.371 8.210 0.298 0.000 0.429 89 A N 1.799 124.709 122.820 0.150 0.000 2.366 89 A HA 0.202 4.580 4.320 0.096 0.000 0.322 89 A C -0.098 177.539 177.584 0.088 0.000 1.397 89 A CA -1.371 50.735 52.037 0.114 0.000 0.984 89 A CB -0.035 19.048 19.000 0.137 0.000 1.149 89 A HN -0.622 7.648 8.150 0.199 0.000 0.540 90 E N 5.832 126.076 120.200 0.073 0.000 2.106 90 E HA -0.360 4.023 4.350 0.055 0.000 0.192 90 E C 1.202 177.839 176.600 0.061 0.000 0.984 90 E CA 3.176 59.611 56.400 0.059 0.000 0.806 90 E CB -0.024 29.705 29.700 0.048 0.000 0.750 90 E HN 0.480 8.881 8.360 0.070 0.000 0.458 91 E N -2.354 117.888 120.200 0.070 0.000 2.150 91 E HA -0.128 4.267 4.350 0.075 0.000 0.193 91 E C -0.161 176.498 176.600 0.098 0.000 0.985 91 E CA 0.599 57.048 56.400 0.081 0.000 0.814 91 E CB 0.291 30.041 29.700 0.085 0.000 0.752 91 E HN 0.199 8.602 8.360 0.071 0.000 0.466 92 G N -1.502 107.345 108.800 0.079 0.000 3.002 92 G HA2 -0.210 3.707 3.960 -0.072 0.000 0.224 92 G HA3 -0.210 3.861 3.960 0.186 0.000 0.224 92 G C -2.031 172.892 174.900 0.039 0.000 1.013 92 G CA -0.511 44.626 45.100 0.062 0.000 1.200 92 G HN -0.311 7.902 8.290 0.070 0.119 0.589 93 R N 0.814 121.306 120.500 -0.013 0.000 2.637 93 R HA 0.528 4.797 4.340 -0.119 0.000 0.291 93 R C -1.950 174.272 176.300 -0.131 0.000 0.963 93 R CA -0.993 55.074 56.100 -0.055 0.000 0.901 93 R CB 3.784 34.147 30.300 0.106 0.000 1.160 93 R HN -0.362 7.907 8.270 -0.002 0.000 0.457 94 V N 2.096 121.824 119.914 -0.310 0.000 2.495 94 V HA 0.857 5.267 4.120 -0.047 -0.318 0.298 94 V C -1.283 174.617 176.094 -0.324 0.000 1.031 94 V CA -1.957 60.218 62.300 -0.208 0.000 0.871 94 V CB 2.557 34.282 31.823 -0.163 0.000 0.988 94 V HN 0.501 8.412 8.190 -0.465 0.000 0.432 95 Y N 5.568 125.915 120.300 0.080 0.000 2.393 95 Y HA 0.606 5.375 4.550 0.086 -0.167 0.341 95 Y C -0.969 174.971 175.900 0.068 0.000 0.988 95 Y CA -1.541 56.630 58.100 0.119 0.000 1.078 95 Y CB 3.605 42.210 38.460 0.241 0.000 1.203 95 Y HN -0.405 8.058 8.280 0.306 0.000 0.453 96 L N -4.464 116.850 121.223 0.152 0.000 2.376 96 L HA 0.665 5.017 4.340 0.019 0.000 0.258 96 L C -2.751 174.105 176.870 -0.024 0.000 1.013 96 L CA -3.919 50.929 54.840 0.014 0.000 0.822 96 L CB 1.246 43.254 42.059 -0.084 0.000 1.388 96 L HN -0.147 8.180 8.230 0.162 0.000 0.413 97 P HA 0.138 4.539 4.420 -0.032 0.000 0.272 97 P C 0.304 177.471 177.300 -0.223 0.000 1.230 97 P CA -0.769 62.238 63.100 -0.155 0.000 0.788 97 P CB 1.461 33.050 31.700 -0.184 0.000 0.949 98 Q N 2.198 121.943 119.800 -0.091 0.000 2.084 98 Q HA -0.285 4.028 4.340 -0.045 0.000 0.202 98 Q C 1.922 177.917 176.000 -0.008 0.000 0.978 98 Q CA 3.483 59.261 55.803 -0.042 0.000 0.844 98 Q CB 0.181 28.907 28.738 -0.019 0.000 0.898 98 Q HN 0.548 8.782 8.270 -0.059 0.000 0.426 99 W N -3.424 117.856 121.300 -0.032 0.000 2.388 99 W HA -0.220 4.447 4.660 0.013 0.000 0.294 99 W C 1.158 177.700 176.519 0.038 0.000 1.212 99 W CA 1.662 59.016 57.345 0.015 0.000 1.271 99 W CB -1.592 27.896 29.460 0.047 0.000 1.126 99 W HN -0.016 8.338 8.180 0.289 0.000 0.535 100 M N 1.788 120.846 119.600 -0.904 0.000 2.117 100 M HA -0.521 3.500 4.480 -0.765 0.000 0.262 100 M C 1.935 178.055 176.300 -0.301 0.000 1.065 100 M CA 4.071 58.899 55.300 -0.787 0.000 1.114 100 M CB -0.080 31.974 32.600 -0.911 0.000 1.361 100 M HN -0.517 6.924 8.290 -1.416 0.000 0.408 101 M N -2.506 116.966 119.600 -0.214 0.000 2.108 101 M HA -0.533 3.885 4.480 -0.104 0.000 0.261 101 M C 1.719 177.990 176.300 -0.048 0.000 1.066 101 M CA 4.675 59.914 55.300 -0.102 0.000 1.107 101 M CB -0.371 32.190 32.600 -0.064 0.000 1.356 101 M HN -0.561 7.567 8.290 -0.255 0.009 0.406 102 E N -2.248 117.943 120.200 -0.015 0.000 2.077 102 E HA -0.347 4.015 4.350 0.019 0.000 0.193 102 E C 2.516 179.134 176.600 0.029 0.000 0.989 102 E CA 2.881 59.297 56.400 0.027 0.000 0.800 102 E CB -0.300 29.443 29.700 0.072 0.000 0.746 102 E HN -0.259 7.996 8.360 -0.017 0.095 0.452 103 T N 0.827 115.399 114.554 0.030 0.000 2.777 103 T HA -0.267 4.119 4.350 0.060 0.000 0.266 103 T C 2.012 176.714 174.700 0.003 0.000 1.040 103 T CA 3.193 65.316 62.100 0.038 0.000 1.141 103 T CB -0.087 68.818 68.868 0.062 0.000 0.868 103 T HN -0.511 7.657 8.240 0.018 0.083 0.444 104 L N -1.452 119.753 121.223 -0.030 0.000 2.291 104 L HA -0.205 4.119 4.340 -0.028 0.000 0.214 104 L C 0.758 177.616 176.870 -0.020 0.000 1.120 104 L CA 1.483 56.303 54.840 -0.034 0.000 0.799 104 L CB 0.272 42.296 42.059 -0.057 0.000 0.925 104 L HN 0.067 8.265 8.230 -0.054 0.000 0.446 105 G N -2.753 106.040 108.800 -0.012 0.000 2.176 105 G HA2 -0.413 3.548 3.960 0.001 0.000 0.252 105 G HA3 -0.413 3.545 3.960 -0.003 0.000 0.252 105 G C -0.585 174.309 174.900 -0.010 0.000 1.024 105 G CA 0.286 45.383 45.100 -0.005 0.000 0.755 105 G HN -0.307 7.831 8.290 -0.012 0.145 0.507 106 I N -5.431 115.129 120.570 -0.017 0.000 2.530 106 I HA 0.410 4.572 4.170 -0.013 0.000 0.297 106 I C -1.577 174.533 176.117 -0.011 0.000 1.011 106 I CA -1.780 59.509 61.300 -0.017 0.000 1.107 106 I CB 2.606 40.589 38.000 -0.028 0.000 1.285 106 I HN -0.770 7.404 8.210 -0.023 0.023 0.436 107 Q N 3.051 122.849 119.800 -0.004 0.000 2.205 107 Q HA 0.485 4.828 4.340 0.005 0.000 0.249 107 Q C -1.964 174.044 176.000 0.014 0.000 0.948 107 Q CA -3.044 52.762 55.803 0.005 0.000 0.895 107 Q CB -0.562 28.181 28.738 0.008 0.000 1.249 107 Q HN 0.022 8.289 8.270 -0.005 0.000 0.458 108 P HA -0.367 4.093 4.420 0.067 0.000 0.263 108 P C -0.014 177.327 177.300 0.069 0.000 1.168 108 P CA 1.591 64.724 63.100 0.056 0.000 0.759 108 P CB -0.337 31.393 31.700 0.052 0.000 0.782 109 G N 4.028 112.900 108.800 0.120 0.000 2.195 109 G HA2 -0.372 3.733 3.960 0.241 0.000 0.246 109 G HA3 -0.372 3.650 3.960 0.103 0.000 0.246 109 G C 0.110 175.033 174.900 0.038 0.000 0.984 109 G CA -0.005 45.170 45.100 0.125 0.000 0.633 109 G HN 0.254 8.641 8.290 0.161 0.000 0.525 110 S N 1.672 117.374 115.700 0.004 0.000 2.585 110 S HA 0.064 4.526 4.470 -0.014 0.000 0.273 110 S C 0.014 174.580 174.600 -0.056 0.000 1.339 110 S CA 0.836 59.023 58.200 -0.022 0.000 1.028 110 S CB 0.997 64.183 63.200 -0.022 0.000 0.906 110 S HN -0.333 7.898 8.310 0.013 0.086 0.528 111 L N 0.836 122.030 121.223 -0.049 0.000 2.397 111 L HA -0.190 4.103 4.340 -0.078 0.000 0.271 111 L C -0.707 176.130 176.870 -0.054 0.000 1.148 111 L CA 0.051 54.857 54.840 -0.056 0.000 0.825 111 L CB 0.275 42.312 42.059 -0.037 0.000 1.117 111 L HN 0.039 8.247 8.230 -0.036 0.000 0.456 112 L N 3.428 124.620 121.223 -0.052 0.000 2.385 112 L HA 0.450 4.764 4.340 -0.042 0.000 0.273 112 L C -2.308 174.559 176.870 -0.005 0.000 0.990 112 L CA -1.153 53.663 54.840 -0.040 0.000 0.821 112 L CB 4.389 46.410 42.059 -0.064 0.000 1.279 112 L HN 0.089 8.288 8.230 -0.053 0.000 0.412 113 Q N 4.793 124.587 119.800 -0.010 0.000 2.290 113 Q HA 0.385 4.734 4.340 0.015 0.000 0.259 113 Q C -1.281 174.718 176.000 -0.001 0.000 0.941 113 Q CA -0.860 54.943 55.803 0.000 0.000 0.912 113 Q CB 2.279 31.009 28.738 -0.013 0.000 1.244 113 Q HN -0.116 8.140 8.270 -0.024 0.000 0.441 114 I N 5.923 126.499 120.570 0.009 0.000 2.389 114 I HA 0.635 5.049 4.170 -0.004 -0.247 0.288 114 I C -1.184 174.939 176.117 0.010 0.000 0.999 114 I CA -1.572 59.710 61.300 -0.030 0.000 1.129 114 I CB 2.148 40.039 38.000 -0.182 0.000 1.288 114 I HN 0.207 8.432 8.210 0.025 0.000 0.444 115 S N 6.852 122.613 115.700 0.102 0.000 2.500 115 S HA 0.547 5.216 4.470 0.215 -0.070 0.301 115 S C -0.335 174.499 174.600 0.390 0.000 1.092 115 S CA -1.421 56.901 58.200 0.204 0.000 1.030 115 S CB 2.641 65.914 63.200 0.121 0.000 1.031 115 S HN 0.751 9.075 8.310 0.104 0.048 0.483 116 S N 5.667 121.681 115.700 0.523 0.000 2.465 116 S HA 0.744 5.893 4.470 0.583 -0.330 0.279 116 S C -0.398 174.395 174.600 0.322 0.000 1.201 116 S CA 0.442 58.943 58.200 0.502 0.000 1.053 116 S CB 0.833 64.299 63.200 0.443 0.000 0.953 116 S HN 0.537 9.091 8.310 0.597 0.114 0.488 117 T N 5.999 120.703 114.554 0.250 0.000 2.886 117 T HA 0.856 5.646 4.350 0.178 -0.333 0.292 117 T C -1.251 173.516 174.700 0.113 0.000 1.012 117 T CA -1.984 60.228 62.100 0.187 0.000 0.982 117 T CB 2.331 71.335 68.868 0.228 0.000 1.018 117 T HN -0.030 8.363 8.240 0.255 0.000 0.451 118 D N 8.173 128.623 120.400 0.083 0.000 2.391 118 D HA 0.353 5.005 4.640 0.021 0.000 0.245 118 D C -1.028 175.291 176.300 0.031 0.000 1.069 118 D CA -1.227 52.798 54.000 0.041 0.000 0.831 118 D CB 3.061 43.883 40.800 0.037 0.000 1.204 118 D HN -0.124 8.304 8.370 0.096 0.000 0.503 119 V N -0.469 119.449 119.914 0.006 0.000 2.815 119 V HA 0.356 4.482 4.120 0.011 0.000 0.314 119 V C -1.700 174.394 176.094 0.000 0.000 1.064 119 V CA -4.576 57.723 62.300 -0.001 0.000 0.952 119 V CB 0.462 32.268 31.823 -0.029 0.000 1.020 119 V HN 0.076 8.262 8.190 -0.007 0.000 0.439 120 P HA 0.065 4.495 4.420 0.017 0.000 0.258 120 P C -1.398 175.904 177.300 0.004 0.000 1.319 120 P CA -0.243 62.864 63.100 0.013 0.000 0.785 120 P CB -0.162 31.552 31.700 0.023 0.000 1.252 121 L N -5.626 115.592 121.223 -0.008 0.000 2.912 121 L HA -0.298 4.195 4.340 -0.026 -0.169 0.582 121 L C 0.049 176.915 176.870 -0.007 0.000 1.001 121 L CA 0.219 55.050 54.840 -0.014 0.000 1.305 121 L CB -0.932 41.120 42.059 -0.012 0.000 1.620 121 L HN -0.548 7.543 8.230 -0.014 0.131 0.785 122 G N 0.780 109.571 108.800 -0.014 0.000 2.771 122 G HA2 -0.059 3.908 3.960 0.011 0.000 0.242 122 G HA3 -0.059 3.898 3.960 -0.006 0.000 0.242 122 G C -0.825 174.085 174.900 0.016 0.000 1.233 122 G CA -0.159 44.942 45.100 0.001 0.000 0.858 122 G HN -0.081 8.192 8.290 -0.027 0.000 0.591 123 Q N -1.212 118.617 119.800 0.050 0.000 2.402 123 Q HA 0.220 4.588 4.340 0.047 0.000 0.231 123 Q C -0.171 175.914 176.000 0.141 0.000 0.888 123 Q CA 0.674 56.522 55.803 0.075 0.000 0.938 123 Q CB 2.665 31.450 28.738 0.077 0.000 1.086 123 Q HN -0.118 8.189 8.270 0.062 0.000 0.543 124 F N 0.021 119.953 119.950 -0.031 0.000 2.574 124 F HA 0.342 4.959 4.527 -0.042 -0.115 0.313 124 F C -2.940 172.829 175.800 -0.051 0.000 1.130 124 F CA -0.821 57.155 58.000 -0.039 0.000 0.936 124 F CB 4.240 43.221 39.000 -0.032 0.000 1.219 124 F HN -0.839 7.566 8.300 0.175 0.000 0.445 125 V N 6.557 126.038 119.914 -0.722 0.000 2.638 125 V HA 0.399 4.372 4.120 -0.245 0.000 0.306 125 V C -2.758 172.913 176.094 -0.705 0.000 1.052 125 V CA -2.324 59.678 62.300 -0.497 0.000 0.885 125 V CB 4.309 35.948 31.823 -0.306 0.000 0.999 125 V HN 1.031 8.615 8.190 -1.009 0.000 0.424 126 K N 9.362 129.544 120.400 -0.364 0.000 2.234 126 K HA 0.303 4.397 4.320 -0.377 0.000 0.277 126 K C -1.736 174.734 176.600 -0.216 0.000 1.038 126 K CA -1.196 54.942 56.287 -0.249 0.000 0.888 126 K CB 1.469 33.978 32.500 0.014 0.000 1.091 126 K HN 0.605 8.647 8.250 -0.183 0.098 0.467 127 L N 5.973 127.025 121.223 -0.286 0.000 2.334 127 L HA 0.456 4.848 4.340 -0.192 -0.167 0.276 127 L C -1.622 175.156 176.870 -0.153 0.000 1.014 127 L CA -1.521 53.168 54.840 -0.252 0.000 0.815 127 L CB 3.191 45.018 42.059 -0.385 0.000 1.268 127 L HN -0.097 7.914 8.230 -0.365 0.000 0.428 128 E N 3.086 123.228 120.200 -0.098 0.000 2.130 128 E HA 0.401 4.743 4.350 -0.014 0.000 0.284 128 E C -2.012 174.558 176.600 -0.050 0.000 1.018 128 E CA -3.502 52.871 56.400 -0.044 0.000 0.817 128 E CB 2.331 32.011 29.700 -0.033 0.000 1.078 128 E HN 0.177 8.358 8.360 -0.110 0.113 0.396 129 P HA 0.013 4.306 4.420 -0.211 0.000 0.276 129 P C -1.763 175.506 177.300 -0.051 0.000 1.244 129 P CA -0.531 62.544 63.100 -0.041 0.000 0.801 129 P CB 1.134 32.902 31.700 0.114 0.000 1.006 130 Q N 0.583 120.332 119.800 -0.085 0.000 2.274 130 Q HA 0.092 4.450 4.340 0.030 0.000 0.268 130 Q C -1.559 174.519 176.000 0.130 0.000 1.015 130 Q CA -0.311 55.505 55.803 0.021 0.000 0.775 130 Q CB 2.043 30.786 28.738 0.009 0.000 1.256 130 Q HN 0.111 8.244 8.270 -0.228 0.000 0.442 131 S N 2.891 118.662 115.700 0.118 0.000 3.217 131 S HA -0.353 4.185 4.470 0.112 0.000 0.857 131 S C 0.918 175.624 174.600 0.176 0.000 1.078 131 S CA 0.472 58.760 58.200 0.146 0.000 1.169 131 S CB -0.039 63.260 63.200 0.166 0.000 0.822 131 S HN 0.552 8.914 8.310 0.087 0.000 0.256 132 V N -2.500 117.494 119.914 0.134 0.000 2.720 132 V HA -0.387 3.796 4.120 0.104 0.000 0.256 132 V C 0.717 176.877 176.094 0.111 0.000 1.082 132 V CA 2.548 64.913 62.300 0.109 0.000 1.101 132 V CB 0.095 31.965 31.823 0.079 0.000 0.693 132 V HN 0.389 8.650 8.190 0.118 0.000 0.479 133 D N -0.054 120.439 120.400 0.155 0.000 2.123 133 D HA -0.335 4.601 4.640 0.090 -0.243 0.196 133 D C 2.208 178.578 176.300 0.116 0.000 0.992 133 D CA 2.867 56.956 54.000 0.150 0.000 0.833 133 D CB -0.539 40.390 40.800 0.215 0.000 0.954 133 D HN -0.327 8.099 8.370 0.171 0.046 0.455 134 F N 1.415 121.387 119.950 0.037 0.000 2.134 134 F HA -0.309 3.985 4.527 -0.388 0.000 0.299 134 F C 1.308 176.936 175.800 -0.287 0.000 1.097 134 F CA 3.296 61.169 58.000 -0.212 0.000 1.264 134 F CB 0.290 39.178 39.000 -0.186 0.000 1.001 134 F HN -0.698 7.835 8.300 0.404 0.009 0.479 135 L N -6.011 115.190 121.223 -0.036 0.000 2.492 135 L HA -0.158 3.970 4.340 -0.352 0.000 0.223 135 L C 0.230 176.984 176.870 -0.192 0.000 1.132 135 L CA 1.065 55.802 54.840 -0.172 0.000 0.850 135 L CB -0.831 41.201 42.059 -0.044 0.000 0.966 135 L HN -0.671 7.540 8.230 0.126 0.095 0.454 136 D N -2.837 117.477 120.400 -0.145 0.000 2.347 136 D HA -0.059 4.523 4.640 -0.097 0.000 0.215 136 D C 0.175 176.370 176.300 -0.175 0.000 0.976 136 D CA 0.957 54.887 54.000 -0.118 0.000 0.884 136 D CB 0.238 41.006 40.800 -0.053 0.000 0.915 136 D HN -0.551 7.556 8.370 -0.104 0.201 0.526 137 I N -0.176 120.219 120.570 -0.291 0.000 2.710 137 I HA -0.281 3.736 4.170 -0.256 0.000 0.286 137 I C 0.267 176.229 176.117 -0.259 0.000 1.181 137 I CA 0.202 61.307 61.300 -0.325 0.000 1.430 137 I CB 0.880 38.561 38.000 -0.531 0.000 1.367 137 I HN -0.898 7.028 8.210 -0.371 0.062 0.577 138 S N 3.898 119.480 115.700 -0.197 0.000 2.370 138 S HA -0.208 4.185 4.470 -0.129 0.000 0.226 138 S C 0.114 174.617 174.600 -0.160 0.000 1.033 138 S CA 1.921 60.032 58.200 -0.148 0.000 1.011 138 S CB 0.511 63.645 63.200 -0.110 0.000 0.852 138 S HN 0.186 8.385 8.310 -0.187 0.000 0.457 139 D N 0.041 120.322 120.400 -0.198 0.000 2.502 139 D HA 0.337 4.886 4.640 -0.152 0.000 0.301 139 D C -1.501 174.642 176.300 -0.262 0.000 1.202 139 D CA -1.818 52.072 54.000 -0.183 0.000 0.878 139 D CB 0.043 40.763 40.800 -0.134 0.000 1.062 139 D HN -0.269 7.956 8.370 -0.226 0.009 0.499 140 P HA -0.220 3.786 4.420 -0.690 0.000 0.218 140 P C 1.010 178.145 177.300 -0.275 0.000 1.149 140 P CA 1.527 64.319 63.100 -0.512 0.000 0.817 140 P CB 0.498 31.802 31.700 -0.661 0.000 0.785 141 K N -3.700 116.632 120.400 -0.113 0.000 2.057 141 K HA -0.355 4.085 4.320 0.199 0.000 0.207 141 K C 1.857 178.465 176.600 0.013 0.000 1.049 141 K CA 3.623 59.937 56.287 0.044 0.000 0.931 141 K CB -0.797 31.724 32.500 0.035 0.000 0.714 141 K HN 0.266 8.412 8.250 -0.138 0.022 0.440 142 A N -0.520 122.267 122.820 -0.056 0.000 1.902 142 A HA -0.205 4.103 4.320 -0.020 0.000 0.217 142 A C 1.904 179.460 177.584 -0.047 0.000 1.181 142 A CA 2.789 54.796 52.037 -0.050 0.000 0.623 142 A CB -0.704 18.251 19.000 -0.075 0.000 0.818 142 A HN -0.651 7.435 8.150 -0.093 0.009 0.443 143 V N -0.608 119.239 119.914 -0.113 0.000 2.343 143 V HA -0.503 3.561 4.120 -0.094 0.000 0.247 143 V C 1.701 177.824 176.094 0.048 0.000 1.051 143 V CA 3.884 66.122 62.300 -0.103 0.000 1.036 143 V CB -0.347 31.294 31.823 -0.304 0.000 0.654 143 V HN -0.818 7.262 8.190 -0.183 0.000 0.451 144 L N -0.398 120.902 121.223 0.128 0.000 2.046 144 L HA -0.400 4.083 4.340 0.237 0.000 0.208 144 L C 1.767 178.697 176.870 0.100 0.000 1.077 144 L CA 3.533 58.490 54.840 0.194 0.000 0.747 144 L CB -0.876 41.350 42.059 0.278 0.000 0.896 144 L HN -0.530 7.674 8.230 0.104 0.088 0.432 145 E N -1.201 119.039 120.200 0.066 0.000 2.110 145 E HA -0.506 3.865 4.350 0.036 0.000 0.193 145 E C 2.432 179.063 176.600 0.053 0.000 0.988 145 E CA 3.488 59.914 56.400 0.043 0.000 0.804 145 E CB -0.338 29.378 29.700 0.026 0.000 0.745 145 E HN -0.294 8.103 8.360 0.062 0.000 0.458 146 N N -0.907 117.827 118.700 0.058 0.000 2.120 146 N HA -0.238 4.534 4.740 0.053 0.000 0.188 146 N C 2.296 177.868 175.510 0.104 0.000 1.024 146 N CA 2.665 55.756 53.050 0.068 0.000 0.852 146 N CB -0.322 38.205 38.487 0.067 0.000 1.003 146 N HN -0.556 7.760 8.380 0.049 0.093 0.424 147 V N 0.885 120.883 119.914 0.141 0.000 2.343 147 V HA -0.545 3.736 4.120 0.268 0.000 0.247 147 V C 1.525 177.776 176.094 0.263 0.000 1.051 147 V CA 4.360 66.797 62.300 0.229 0.000 1.036 147 V CB -0.189 31.760 31.823 0.211 0.000 0.654 147 V HN -0.443 7.737 8.190 0.125 0.085 0.451 148 L N -2.690 118.625 121.223 0.152 0.000 2.046 148 L HA -0.387 4.042 4.340 0.148 0.000 0.208 148 L C 1.479 178.415 176.870 0.109 0.000 1.077 148 L CA 2.749 57.661 54.840 0.121 0.000 0.747 148 L CB -0.645 41.443 42.059 0.049 0.000 0.896 148 L HN -0.487 7.811 8.230 0.113 0.000 0.432 149 R N -2.774 117.770 120.500 0.073 0.000 2.075 149 R HA -0.393 3.955 4.340 0.014 0.000 0.232 149 R C 2.108 178.412 176.300 0.006 0.000 1.126 149 R CA 3.002 59.120 56.100 0.030 0.000 0.963 149 R CB 0.084 30.397 30.300 0.021 0.000 0.858 149 R HN -0.550 7.673 8.270 0.075 0.092 0.435 150 N N -1.883 116.824 118.700 0.012 0.000 2.120 150 N HA -0.240 4.415 4.740 -0.143 0.000 0.188 150 N C 0.895 176.232 175.510 -0.288 0.000 1.024 150 N CA 2.514 55.476 53.050 -0.147 0.000 0.852 150 N CB 0.359 38.736 38.487 -0.184 0.000 1.003 150 N HN -0.532 7.807 8.380 0.071 0.084 0.424 151 F N -1.427 118.551 119.950 0.047 0.000 2.388 151 F HA 0.140 4.705 4.527 0.065 0.000 0.358 151 F C -0.062 175.740 175.800 0.003 0.000 1.122 151 F CA -0.660 57.372 58.000 0.052 0.000 1.056 151 F CB 0.987 40.040 39.000 0.088 0.000 1.155 151 F HN -0.509 7.965 8.300 0.291 0.000 0.461 152 S N 2.361 118.126 115.700 0.109 0.000 2.383 152 S HA -0.168 4.289 4.470 -0.021 0.000 0.227 152 S C -0.108 174.514 174.600 0.037 0.000 1.026 152 S CA 1.936 60.142 58.200 0.010 0.000 0.981 152 S CB 0.905 64.053 63.200 -0.087 0.000 0.818 152 S HN 0.339 8.699 8.310 0.084 0.000 0.472 153 T N -2.688 111.931 114.554 0.109 0.000 2.863 153 T HA 0.094 4.442 4.350 -0.002 0.000 0.285 153 T C -1.014 173.729 174.700 0.072 0.000 1.009 153 T CA -1.179 60.958 62.100 0.063 0.000 0.989 153 T CB 2.896 71.822 68.868 0.098 0.000 1.004 153 T HN -0.964 7.385 8.240 0.183 0.000 0.455 154 L N 4.078 125.281 121.223 -0.033 0.000 2.362 154 L HA 0.360 4.676 4.340 -0.040 0.000 0.275 154 L C -1.359 175.452 176.870 -0.098 0.000 0.998 154 L CA -0.993 53.812 54.840 -0.058 0.000 0.820 154 L CB 3.124 45.139 42.059 -0.075 0.000 1.270 154 L HN 0.900 8.984 8.230 -0.081 0.098 0.415 155 T N 3.539 118.068 114.554 -0.041 0.000 2.856 155 T HA 0.268 4.578 4.350 -0.066 0.000 0.283 155 T C -0.171 174.526 174.700 -0.006 0.000 1.008 155 T CA -0.804 61.292 62.100 -0.007 0.000 0.997 155 T CB 2.411 71.371 68.868 0.153 0.000 0.992 155 T HN 0.199 8.426 8.240 -0.021 0.000 0.454 156 V N 3.707 123.618 119.914 -0.006 0.000 2.343 156 V HA -0.421 3.779 4.120 -0.028 -0.097 0.247 156 V C 0.190 176.289 176.094 0.009 0.000 1.051 156 V CA 3.503 65.799 62.300 -0.007 0.000 1.036 156 V CB 0.256 32.081 31.823 0.003 0.000 0.654 156 V HN 0.448 8.635 8.190 -0.006 0.000 0.451 157 D N -2.681 117.739 120.400 0.032 0.000 2.224 157 D HA -0.226 4.431 4.640 0.029 0.000 0.205 157 D C -0.655 175.672 176.300 0.046 0.000 0.965 157 D CA 1.443 55.466 54.000 0.039 0.000 0.852 157 D CB 0.433 41.263 40.800 0.050 0.000 0.947 157 D HN 0.100 8.487 8.370 0.044 0.010 0.494 158 D N -1.016 119.418 120.400 0.056 0.000 2.345 158 D HA 0.067 4.760 4.640 0.088 0.000 0.247 158 D C -1.080 175.243 176.300 0.039 0.000 1.108 158 D CA 0.714 54.757 54.000 0.072 0.000 0.894 158 D CB 1.084 41.942 40.800 0.097 0.000 1.203 158 D HN -0.232 8.047 8.370 0.060 0.127 0.430 159 V N 1.554 121.518 119.914 0.083 0.000 2.370 159 V HA 0.202 4.302 4.120 -0.034 0.000 0.283 159 V C -0.288 175.808 176.094 0.004 0.000 1.023 159 V CA -1.567 60.750 62.300 0.029 0.000 0.857 159 V CB 0.551 32.403 31.823 0.048 0.000 0.985 159 V HN 0.164 8.440 8.190 0.144 0.000 0.443 160 I N 4.491 124.937 120.570 -0.207 0.000 2.392 160 I HA 0.504 4.362 4.170 -0.520 0.000 0.295 160 I C -1.444 174.425 176.117 -0.413 0.000 0.985 160 I CA -1.612 59.397 61.300 -0.485 0.000 1.221 160 I CB 2.383 39.869 38.000 -0.857 0.000 1.366 160 I HN 0.373 8.465 8.210 -0.196 0.000 0.467 161 E N 4.669 124.534 120.200 -0.557 0.000 2.212 161 E HA 0.791 5.213 4.350 -0.171 -0.175 0.268 161 E C -1.368 175.193 176.600 -0.064 0.000 0.902 161 E CA -1.891 54.320 56.400 -0.316 0.000 0.779 161 E CB 3.294 32.722 29.700 -0.454 0.000 1.172 161 E HN 0.126 7.933 8.360 -0.922 0.000 0.409 162 I N 3.374 124.005 120.570 0.100 0.000 2.474 162 I HA 0.369 4.666 4.170 0.212 0.000 0.294 162 I C -2.138 174.117 176.117 0.230 0.000 1.005 162 I CA -1.641 59.785 61.300 0.210 0.000 1.113 162 I CB 3.332 41.485 38.000 0.256 0.000 1.289 162 I HN 0.395 8.677 8.210 0.120 0.000 0.436 163 S N 8.102 123.889 115.700 0.146 0.000 2.438 163 S HA 0.637 5.331 4.470 0.044 -0.197 0.316 163 S C -1.438 173.233 174.600 0.119 0.000 1.084 163 S CA -1.704 56.504 58.200 0.012 0.000 1.107 163 S CB 0.589 63.556 63.200 -0.388 0.000 0.981 163 S HN 0.254 8.655 8.310 0.151 0.000 0.466 164 Y N 8.858 129.211 120.300 0.088 0.000 2.350 164 Y HA 0.094 4.662 4.550 0.030 0.000 0.338 164 Y C -0.811 175.117 175.900 0.046 0.000 0.961 164 Y CA -0.499 57.648 58.100 0.078 0.000 1.100 164 Y CB 2.896 41.430 38.460 0.124 0.000 1.179 164 Y HN 0.887 9.284 8.280 0.358 0.097 0.454 165 N N 8.885 127.274 118.700 -0.517 0.000 2.727 165 N HA -0.358 4.158 4.740 -0.373 0.000 0.249 165 N C -0.072 175.348 175.510 -0.150 0.000 1.048 165 N CA 0.392 53.228 53.050 -0.357 0.000 0.714 165 N CB -0.902 37.400 38.487 -0.308 0.000 0.959 165 N HN 1.106 9.073 8.380 -0.689 0.000 0.544 166 G N -6.121 102.580 108.800 -0.165 0.000 2.162 166 G HA2 -0.505 3.322 3.960 -0.221 0.000 0.260 166 G HA3 -0.505 3.381 3.960 -0.122 0.000 0.260 166 G C -1.166 173.642 174.900 -0.153 0.000 0.976 166 G CA 0.076 45.078 45.100 -0.163 0.000 0.655 166 G HN 0.500 8.660 8.290 -0.199 0.011 0.533 167 K N 0.639 120.981 120.400 -0.095 0.000 2.207 167 K HA 0.266 4.478 4.320 -0.179 0.000 0.255 167 K C -1.375 175.127 176.600 -0.164 0.000 0.941 167 K CA -1.308 54.904 56.287 -0.125 0.000 0.825 167 K CB 2.284 34.771 32.500 -0.021 0.000 1.119 167 K HN -0.196 7.829 8.250 -0.037 0.203 0.430 168 T N 3.829 118.199 114.554 -0.306 0.000 2.797 168 T HA 0.507 4.998 4.350 -0.064 -0.180 0.279 168 T C -0.862 173.619 174.700 -0.365 0.000 0.991 168 T CA -0.185 61.791 62.100 -0.207 0.000 0.979 168 T CB 1.503 70.303 68.868 -0.113 0.000 0.943 168 T HN 0.206 8.237 8.240 -0.348 0.000 0.444 169 F N 6.198 126.148 119.950 0.001 0.000 2.508 169 F HA 0.268 4.780 4.527 -0.024 0.000 0.325 169 F C -1.175 174.562 175.800 -0.105 0.000 1.090 169 F CA -1.256 56.729 58.000 -0.026 0.000 0.945 169 F CB 4.057 43.087 39.000 0.049 0.000 1.156 169 F HN 0.959 9.292 8.300 0.240 0.111 0.463 170 K N 2.596 123.012 120.400 0.027 0.000 2.240 170 K HA 0.191 4.461 4.320 -0.084 0.000 0.271 170 K C -1.230 175.308 176.600 -0.104 0.000 1.018 170 K CA -0.365 55.888 56.287 -0.057 0.000 0.874 170 K CB 1.087 33.557 32.500 -0.051 0.000 1.098 170 K HN 0.294 8.567 8.250 0.037 0.000 0.458 171 I N 5.696 126.189 120.570 -0.129 0.000 2.418 171 I HA 0.223 4.489 4.170 -0.163 -0.193 0.287 171 I C -2.037 174.002 176.117 -0.131 0.000 1.008 171 I CA -1.231 59.978 61.300 -0.151 0.000 1.104 171 I CB 2.931 40.837 38.000 -0.156 0.000 1.264 171 I HN 0.788 8.915 8.210 -0.138 0.000 0.438 172 K N 7.034 127.371 120.400 -0.105 0.000 2.323 172 K HA 0.384 4.657 4.320 -0.079 0.000 0.259 172 K C -0.820 175.729 176.600 -0.086 0.000 0.947 172 K CA -1.571 54.669 56.287 -0.079 0.000 0.819 172 K CB 2.992 35.466 32.500 -0.044 0.000 1.109 172 K HN -0.324 7.864 8.250 -0.103 0.000 0.429 173 I N 8.575 129.094 120.570 -0.085 0.000 2.352 173 I HA -0.053 4.273 4.170 -0.117 -0.226 0.303 173 I C 0.400 176.488 176.117 -0.048 0.000 1.194 173 I CA 0.068 61.316 61.300 -0.087 0.000 1.518 173 I CB -2.105 35.842 38.000 -0.088 0.000 1.489 173 I HN 0.474 8.636 8.210 -0.079 0.000 0.702 174 L N 5.543 126.743 121.223 -0.039 0.000 2.012 174 L HA -0.234 4.103 4.340 -0.005 0.000 0.210 174 L C 0.445 177.320 176.870 0.009 0.000 1.073 174 L CA 2.565 57.400 54.840 -0.009 0.000 0.748 174 L CB 0.311 42.371 42.059 0.000 0.000 0.891 174 L HN -0.414 7.759 8.230 -0.056 0.024 0.431 175 E N -4.487 115.725 120.200 0.019 0.000 2.335 175 E HA 0.159 4.532 4.350 0.037 0.000 0.280 175 E C -2.214 174.438 176.600 0.087 0.000 0.918 175 E CA -0.819 55.614 56.400 0.054 0.000 0.765 175 E CB 3.324 33.069 29.700 0.076 0.000 1.218 175 E HN -0.776 7.587 8.360 0.004 0.000 0.425 176 V N -1.944 118.021 119.914 0.086 0.000 3.049 176 V HA 0.450 4.793 4.120 0.213 -0.095 0.309 176 V C -1.619 174.553 176.094 0.129 0.000 1.148 176 V CA -3.291 59.079 62.300 0.117 0.000 0.990 176 V CB 3.407 35.238 31.823 0.012 0.000 1.039 176 V HN 0.190 8.417 8.190 0.061 0.000 0.430 177 K N 3.712 124.222 120.400 0.183 0.000 2.266 177 K HA 0.495 4.857 4.320 0.070 0.000 0.274 177 K C -1.904 174.737 176.600 0.067 0.000 1.090 177 K CA -3.146 53.205 56.287 0.107 0.000 0.925 177 K CB 1.573 34.136 32.500 0.104 0.000 1.225 177 K HN 0.726 9.024 8.250 0.280 0.120 0.458 178 P HA 0.356 4.786 4.420 0.018 0.000 0.287 178 P C -0.577 176.733 177.300 0.017 0.000 1.292 178 P CA -1.370 61.742 63.100 0.020 0.000 0.879 178 P CB 1.702 33.408 31.700 0.010 0.000 1.214 179 E N -0.524 119.684 120.200 0.013 0.000 2.474 179 E HA 0.107 4.465 4.350 0.014 0.000 0.195 179 E C -0.677 175.928 176.600 0.008 0.000 1.039 179 E CA 0.330 56.738 56.400 0.013 0.000 0.881 179 E CB 0.372 30.082 29.700 0.017 0.000 0.970 179 E HN 0.474 8.840 8.360 0.009 0.000 0.486 180 S N -2.804 112.901 115.700 0.007 0.000 2.595 180 S HA 0.317 4.788 4.470 0.002 0.000 0.281 180 S C 0.403 175.009 174.600 0.009 0.000 1.117 180 S CA -1.145 57.059 58.200 0.006 0.000 0.873 180 S CB 3.151 66.356 63.200 0.008 0.000 1.108 180 S HN -0.611 7.642 8.310 0.007 0.061 0.477 181 S N 1.607 117.313 115.700 0.010 0.000 2.515 181 S HA -0.136 4.342 4.470 0.012 0.000 0.231 181 S C 0.859 175.473 174.600 0.022 0.000 0.987 181 S CA 2.004 60.212 58.200 0.014 0.000 0.936 181 S CB -0.216 62.990 63.200 0.011 0.000 0.766 181 S HN 0.499 8.813 8.310 0.007 0.000 0.528 182 S N 0.651 116.367 115.700 0.027 0.000 2.419 182 S HA -0.186 4.316 4.470 0.054 0.000 0.235 182 S C 0.258 174.884 174.600 0.044 0.000 1.019 182 S CA 1.156 59.383 58.200 0.045 0.000 0.982 182 S CB -0.377 62.853 63.200 0.051 0.000 0.789 182 S HN -0.169 8.087 8.310 0.022 0.067 0.490 183 K N -3.274 117.139 120.400 0.022 0.000 3.117 183 K HA -0.337 3.989 4.320 0.009 0.000 0.269 183 K C -1.887 174.710 176.600 -0.005 0.000 1.098 183 K CA 0.826 57.122 56.287 0.016 0.000 0.785 183 K CB -2.493 30.025 32.500 0.029 0.000 1.242 183 K HN -0.646 7.576 8.250 0.017 0.038 0.491 184 S N -3.731 111.941 115.700 -0.047 0.000 2.521 184 S HA 0.382 4.756 4.470 -0.160 0.000 0.295 184 S C -1.250 173.267 174.600 -0.139 0.000 1.098 184 S CA -0.875 57.229 58.200 -0.160 0.000 0.999 184 S CB 3.160 66.162 63.200 -0.330 0.000 1.034 184 S HN -0.232 8.050 8.310 -0.030 0.010 0.483 185 I N -0.641 119.838 120.570 -0.152 0.000 2.498 185 I HA 0.504 4.626 4.170 -0.081 0.000 0.290 185 I C -1.955 174.097 176.117 -0.107 0.000 1.032 185 I CA -1.467 59.771 61.300 -0.103 0.000 1.073 185 I CB 3.287 41.241 38.000 -0.076 0.000 1.251 185 I HN 0.966 9.068 8.210 -0.180 0.000 0.426 186 C N 5.418 124.671 119.300 -0.080 0.000 2.432 186 C HA 0.350 4.779 4.460 -0.052 0.000 0.334 186 C C -1.950 173.013 174.990 -0.046 0.000 1.155 186 C CA -1.269 57.713 59.018 -0.061 0.000 1.335 186 C CB 3.030 30.730 27.740 -0.066 0.000 1.964 186 C HN 0.764 8.953 8.230 -0.067 0.000 0.444 187 V N 5.511 125.403 119.914 -0.036 0.000 2.350 187 V HA 0.352 4.452 4.120 -0.033 0.000 0.285 187 V C -1.008 175.068 176.094 -0.031 0.000 1.014 187 V CA -1.670 60.611 62.300 -0.032 0.000 0.831 187 V CB 1.729 33.533 31.823 -0.030 0.000 1.000 187 V HN 0.372 8.545 8.190 -0.027 0.000 0.433 188 I N 7.239 127.784 120.570 -0.042 0.000 2.141 188 I HA -0.335 3.795 4.170 -0.066 0.000 0.236 188 I C 0.955 177.051 176.117 -0.034 0.000 1.071 188 I CA 2.843 64.110 61.300 -0.055 0.000 1.345 188 I CB 0.659 38.615 38.000 -0.073 0.000 1.066 188 I HN 0.428 8.613 8.210 -0.042 0.000 0.406 189 E N -2.689 117.497 120.200 -0.024 0.000 2.045 189 E HA -0.101 4.243 4.350 -0.011 0.000 0.195 189 E C 0.133 176.728 176.600 -0.009 0.000 0.953 189 E CA 1.215 57.608 56.400 -0.013 0.000 0.859 189 E CB 0.888 30.583 29.700 -0.009 0.000 0.854 189 E HN 0.069 8.414 8.360 -0.025 0.000 0.471 190 T N -3.216 111.332 114.554 -0.009 0.000 4.713 190 T HA 0.144 4.487 4.350 -0.012 0.000 0.291 190 T C -1.833 172.861 174.700 -0.010 0.000 0.916 190 T CA -0.512 61.582 62.100 -0.009 0.000 0.980 190 T CB -0.216 68.650 68.868 -0.004 0.000 0.915 190 T HN -0.317 7.917 8.240 -0.010 0.000 0.429 191 D N -0.165 120.227 120.400 -0.012 0.000 2.340 191 D HA 0.059 4.697 4.640 -0.003 0.000 0.220 191 D C -1.106 175.187 176.300 -0.012 0.000 1.039 191 D CA 0.773 54.768 54.000 -0.008 0.000 0.866 191 D CB 0.498 41.294 40.800 -0.006 0.000 0.913 191 D HN -0.083 8.278 8.370 -0.015 0.000 0.523 192 L N -0.811 120.396 121.223 -0.027 0.000 2.322 192 L HA 0.206 4.525 4.340 -0.034 0.000 0.281 192 L C -1.260 175.567 176.870 -0.072 0.000 1.014 192 L CA -1.222 53.589 54.840 -0.048 0.000 0.815 192 L CB 2.345 44.367 42.059 -0.063 0.000 1.247 192 L HN -0.724 7.413 8.230 -0.027 0.077 0.421 193 V N 7.114 126.973 119.914 -0.092 0.000 2.407 193 V HA 0.224 4.288 4.120 -0.093 0.000 0.278 193 V C -0.971 174.939 176.094 -0.307 0.000 1.037 193 V CA -1.142 61.081 62.300 -0.128 0.000 0.900 193 V CB 0.506 32.307 31.823 -0.036 0.000 0.983 193 V HN 0.081 8.230 8.190 -0.068 0.000 0.459 194 T N 2.759 117.139 114.554 -0.290 0.000 2.823 194 T HA 0.739 4.975 4.350 -0.561 -0.223 0.279 194 T C -0.752 173.684 174.700 -0.440 0.000 0.998 194 T CA -2.197 59.639 62.100 -0.440 0.000 0.994 194 T CB 2.172 70.802 68.868 -0.396 0.000 0.960 194 T HN 0.257 8.385 8.240 -0.186 0.000 0.448 195 D N 4.371 124.443 120.400 -0.546 0.000 2.738 195 D HA 0.380 4.913 4.640 -0.178 0.000 0.237 195 D C -1.543 174.518 176.300 -0.397 0.000 1.123 195 D CA -0.644 53.164 54.000 -0.320 0.000 0.856 195 D CB 3.835 44.574 40.800 -0.102 0.000 1.552 195 D HN -0.109 7.876 8.370 -0.642 0.000 0.480 196 F N 1.552 121.501 119.950 -0.002 0.000 2.404 196 F HA 0.337 4.859 4.527 -0.008 0.000 0.354 196 F C 0.234 176.051 175.800 0.028 0.000 1.122 196 F CA -0.556 57.454 58.000 0.015 0.000 1.080 196 F CB 1.055 40.089 39.000 0.056 0.000 1.131 196 F HN 0.250 8.692 8.300 0.237 0.000 0.471 197 A N 5.910 128.824 122.820 0.156 0.000 2.310 197 A HA 0.499 4.893 4.320 0.123 0.000 0.304 197 A C -2.983 174.662 177.584 0.101 0.000 1.231 197 A CA -2.925 49.180 52.037 0.114 0.000 0.799 197 A CB 0.532 19.580 19.000 0.080 0.000 1.162 197 A HN 0.302 8.517 8.150 0.110 0.000 0.486 198 P HA 0.100 4.574 4.420 0.090 0.000 0.264 198 P C -1.688 175.651 177.300 0.065 0.000 1.229 198 P CA -1.458 61.692 63.100 0.083 0.000 0.780 198 P CB -0.133 31.613 31.700 0.076 0.000 0.808 199 P HA 0.125 4.573 4.420 0.046 0.000 0.267 199 P C -1.053 176.288 177.300 0.067 0.000 1.289 199 P CA 0.028 63.161 63.100 0.054 0.000 0.866 199 P CB 0.488 32.217 31.700 0.047 0.000 1.309 200 V N 1.402 121.367 119.914 0.085 0.000 2.407 200 V HA 0.049 4.265 4.120 0.159 0.000 0.278 200 V C 0.369 176.519 176.094 0.094 0.000 1.037 200 V CA 0.239 62.618 62.300 0.132 0.000 0.900 200 V CB 0.407 32.327 31.823 0.161 0.000 0.983 200 V HN -0.542 7.637 8.190 0.080 0.059 0.459 201 G N 5.766 114.586 108.800 0.034 0.000 3.284 201 G HA2 0.039 3.974 3.960 -0.041 0.000 0.236 201 G HA3 0.039 3.892 3.960 -0.178 0.000 0.236 201 G C -0.884 173.905 174.900 -0.185 0.000 1.158 201 G CA 0.317 45.357 45.100 -0.101 0.000 0.774 201 G HN 0.269 8.598 8.290 0.065 0.000 0.545 202 Y N -0.196 120.118 120.300 0.023 0.000 2.308 202 Y HA 0.047 4.609 4.550 0.021 0.000 0.329 202 Y C -0.616 175.300 175.900 0.027 0.000 1.111 202 Y CA -0.533 57.581 58.100 0.023 0.000 1.179 202 Y CB 1.280 39.754 38.460 0.022 0.000 1.201 202 Y HN -0.679 7.681 8.280 0.266 0.079 0.483 203 V N 3.678 123.691 119.914 0.164 0.000 2.540 203 V HA 0.178 4.361 4.120 0.106 0.000 0.302 203 V C -1.292 174.867 176.094 0.108 0.000 1.035 203 V CA -0.548 61.817 62.300 0.109 0.000 0.873 203 V CB 1.568 33.429 31.823 0.062 0.000 0.992 203 V HN 0.106 8.394 8.190 0.162 0.000 0.428 204 E N 8.945 129.202 120.200 0.096 0.000 2.197 204 E HA 0.295 4.698 4.350 0.088 0.000 0.281 204 E C -1.618 175.031 176.600 0.082 0.000 0.995 204 E CA -3.041 53.413 56.400 0.089 0.000 0.808 204 E CB 0.806 30.561 29.700 0.092 0.000 1.093 204 E HN 0.158 8.574 8.360 0.093 0.000 0.394 205 P HA -0.020 4.431 4.420 0.053 0.000 0.269 205 P C -1.447 175.906 177.300 0.088 0.000 1.215 205 P CA -0.399 62.743 63.100 0.070 0.000 0.780 205 P CB 0.624 32.364 31.700 0.067 0.000 0.898 206 D N 0.247 120.675 120.400 0.047 0.000 2.308 206 D HA 0.088 4.727 4.640 -0.001 0.000 0.251 206 D C -0.347 175.970 176.300 0.029 0.000 1.127 206 D CA -0.062 53.935 54.000 -0.004 0.000 0.876 206 D CB 0.597 41.358 40.800 -0.066 0.000 1.176 206 D HN 0.067 8.455 8.370 0.031 0.000 0.446 207 Y N -1.840 118.467 120.300 0.011 0.000 2.341 207 Y HA 0.321 4.876 4.550 0.009 0.000 0.340 207 Y C -0.598 175.306 175.900 0.007 0.000 0.997 207 Y CA -0.945 57.161 58.100 0.009 0.000 1.149 207 Y CB 0.431 38.897 38.460 0.009 0.000 1.171 207 Y HN 0.055 8.206 8.280 -0.215 0.000 0.494 208 K N 0.000 120.432 120.400 0.054 0.000 2.780 208 K HA 0.000 4.322 4.320 0.003 0.000 0.191 208 K CA 0.000 56.290 56.287 0.005 0.000 0.838 208 K CB 0.000 32.465 32.500 -0.058 0.000 1.064 208 K HN 0.000 8.306 8.250 0.093 0.000 0.543