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 1z2d_1_A DATA FIRST_RESID 1 DATA SEQUENCE MENKIIYFLC TGNSCRSQMA EGWAKQYLGD EWKVYSAGIE AHGLNPNAVK DATA SEQUENCE AMKEVGIDIS NQTSDIIDSD ILNNADLVVT LCGDAADKCP MTPPHVKREH DATA SEQUENCE WGFDDPARAQ GTEEEKWAFF QRVRDEIGNR LKEFAETGK 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 4.500 4.480 0.034 0.000 0.227 1 M C 0.000 176.328 176.300 0.047 0.000 1.140 1 M CA 0.000 55.323 55.300 0.038 0.000 0.988 1 M CB 0.000 32.616 32.600 0.027 0.000 1.302 2 E N -0.621 119.600 120.200 0.035 0.000 2.356 2 E HA 0.280 4.660 4.350 0.050 0.000 0.275 2 E C -2.000 174.602 176.600 0.003 0.000 0.904 2 E CA -0.314 56.107 56.400 0.035 0.000 0.757 2 E CB 2.549 32.276 29.700 0.045 0.000 1.232 2 E HN 0.064 8.437 8.360 0.022 0.000 0.442 3 N N 1.730 120.418 118.700 -0.020 0.000 2.070 3 N HA 0.053 4.758 4.740 -0.059 0.000 0.284 3 N C -1.762 173.676 175.510 -0.120 0.000 1.046 3 N CA 0.482 53.489 53.050 -0.071 0.000 0.730 3 N CB 1.883 40.315 38.487 -0.091 0.000 1.826 3 N HN 0.163 8.541 8.380 -0.004 0.000 0.704 4 K N -1.490 118.832 120.400 -0.131 0.000 2.433 4 K HA 0.197 4.450 4.320 -0.113 0.000 0.252 4 K C -2.639 173.974 176.600 0.022 0.000 1.015 4 K CA -1.163 55.044 56.287 -0.134 0.000 0.860 4 K CB 3.755 35.992 32.500 -0.438 0.000 1.359 4 K HN -0.625 7.577 8.250 -0.080 0.000 0.452 5 I N -0.268 120.339 120.570 0.063 0.000 2.569 5 I HA 0.567 4.894 4.170 -0.047 -0.186 0.290 5 I C -1.844 174.339 176.117 0.110 0.000 1.088 5 I CA -0.860 60.457 61.300 0.028 0.000 1.047 5 I CB 3.993 42.002 38.000 0.015 0.000 1.237 5 I HN 0.216 8.459 8.210 0.054 0.000 0.421 6 I N 6.822 127.416 120.570 0.041 0.000 2.436 6 I HA 0.626 5.006 4.170 0.047 -0.182 0.289 6 I C -3.110 172.936 176.117 -0.118 0.000 1.010 6 I CA -2.236 59.050 61.300 -0.023 0.000 1.098 6 I CB 3.776 41.741 38.000 -0.058 0.000 1.266 6 I HN 0.814 8.957 8.210 -0.111 0.000 0.434 7 Y N 9.247 129.382 120.300 -0.276 0.000 2.426 7 Y HA 0.550 5.268 4.550 -0.022 -0.181 0.325 7 Y C -1.902 173.861 175.900 -0.229 0.000 0.989 7 Y CA -3.469 54.558 58.100 -0.122 0.000 1.284 7 Y CB 1.605 40.100 38.460 0.058 0.000 1.104 7 Y HN 0.379 8.641 8.280 -0.029 0.000 0.481 8 F N 6.463 126.437 119.950 0.041 0.000 2.459 8 F HA 0.210 4.865 4.527 -0.015 -0.137 0.346 8 F C -1.322 174.371 175.800 -0.178 0.000 1.128 8 F CA 0.746 58.714 58.000 -0.052 0.000 1.268 8 F CB 1.367 40.344 39.000 -0.038 0.000 1.161 8 F HN 0.553 8.927 8.300 0.124 0.000 0.583 9 L N 0.621 121.888 121.223 0.074 0.000 2.505 9 L HA 0.566 5.040 4.340 -0.094 -0.190 0.266 9 L C -2.138 174.764 176.870 0.053 0.000 0.954 9 L CA -0.649 54.178 54.840 -0.021 0.000 0.852 9 L CB 3.106 45.133 42.059 -0.053 0.000 1.282 9 L HN 0.606 8.944 8.230 0.179 0.000 0.403 10 C N 4.268 123.587 119.300 0.032 0.000 3.340 10 C HA 0.302 4.798 4.460 0.060 0.000 0.333 10 C C -0.410 174.597 174.990 0.029 0.000 1.464 10 C CA -2.508 56.539 59.018 0.048 0.000 1.337 10 C CB 3.231 31.008 27.740 0.062 0.000 1.740 10 C HN 0.076 8.307 8.230 0.002 0.000 0.450 11 T N 0.840 115.415 114.554 0.034 0.000 3.051 11 T HA -0.145 4.218 4.350 0.022 0.000 0.269 11 T C -0.678 174.034 174.700 0.021 0.000 1.127 11 T CA 1.868 63.983 62.100 0.026 0.000 1.107 11 T CB -0.458 68.426 68.868 0.027 0.000 0.898 11 T HN 0.721 8.987 8.240 0.045 0.000 0.517 12 G N -0.349 108.464 108.800 0.021 0.000 2.711 12 G HA2 0.080 4.242 3.960 0.021 0.000 0.288 12 G HA3 0.080 4.050 3.960 0.016 0.000 0.288 12 G C -0.837 174.071 174.900 0.013 0.000 1.451 12 G CA -0.513 44.598 45.100 0.018 0.000 1.186 12 G HN -1.004 7.242 8.290 0.025 0.059 0.560 13 N N 6.591 125.298 118.700 0.012 0.000 2.069 13 N HA -0.282 4.560 4.740 0.001 -0.102 0.191 13 N C 1.619 177.128 175.510 -0.001 0.000 1.031 13 N CA 2.666 55.718 53.050 0.005 0.000 0.852 13 N CB 0.433 38.925 38.487 0.008 0.000 1.018 13 N HN 0.566 8.956 8.380 0.016 0.000 0.423 14 S N -0.556 115.150 115.700 0.010 0.000 2.413 14 S HA -0.350 4.243 4.470 0.010 -0.117 0.237 14 S C 1.320 175.902 174.600 -0.031 0.000 1.044 14 S CA 3.181 61.385 58.200 0.007 0.000 1.024 14 S CB -0.088 63.139 63.200 0.044 0.000 0.829 14 S HN 0.365 8.681 8.310 0.026 0.009 0.475 15 C N -0.703 118.572 119.300 -0.043 0.000 2.823 15 C HA 0.082 4.476 4.460 -0.111 0.000 0.271 15 C C 1.077 176.010 174.990 -0.094 0.000 1.880 15 C CA 2.285 61.255 59.018 -0.080 0.000 1.844 15 C CB 0.966 28.666 27.740 -0.066 0.000 1.511 15 C HN -0.838 7.336 8.230 -0.024 0.041 0.770 16 R N 0.330 120.788 120.500 -0.070 0.000 2.066 16 R HA -0.245 4.000 4.340 -0.159 0.000 0.232 16 R C 2.453 178.654 176.300 -0.165 0.000 1.131 16 R CA 3.370 59.403 56.100 -0.112 0.000 0.955 16 R CB -0.678 29.598 30.300 -0.040 0.000 0.851 16 R HN 0.129 8.379 8.270 -0.033 0.000 0.432 17 S N 0.939 116.581 115.700 -0.097 0.000 2.356 17 S HA -0.391 3.983 4.470 -0.160 0.000 0.223 17 S C 1.794 176.293 174.600 -0.168 0.000 1.032 17 S CA 3.772 61.913 58.200 -0.098 0.000 1.005 17 S CB -0.631 62.586 63.200 0.029 0.000 0.867 17 S HN -0.403 7.880 8.310 -0.046 0.000 0.449 18 Q N 0.657 120.395 119.800 -0.104 0.000 2.096 18 Q HA -0.285 4.021 4.340 -0.057 0.000 0.204 18 Q C 2.750 178.660 176.000 -0.149 0.000 0.982 18 Q CA 2.841 58.587 55.803 -0.095 0.000 0.850 18 Q CB -0.463 28.233 28.738 -0.070 0.000 0.901 18 Q HN -0.608 7.618 8.270 -0.073 0.000 0.422 19 M N -1.152 118.347 119.600 -0.168 0.000 2.099 19 M HA -0.325 4.073 4.480 -0.136 0.000 0.262 19 M C 2.070 178.292 176.300 -0.129 0.000 1.067 19 M CA 3.769 58.992 55.300 -0.128 0.000 1.124 19 M CB -0.012 32.539 32.600 -0.082 0.000 1.353 19 M HN -0.452 7.739 8.290 -0.164 0.000 0.410 20 A N -0.759 121.828 122.820 -0.389 0.000 1.940 20 A HA -0.430 3.614 4.320 -0.460 0.000 0.219 20 A C 1.480 178.563 177.584 -0.836 0.000 1.176 20 A CA 3.461 55.049 52.037 -0.748 0.000 0.631 20 A CB -1.070 17.142 19.000 -1.314 0.000 0.814 20 A HN 0.366 8.274 8.150 -0.404 0.000 0.446 21 E N -0.840 118.952 120.200 -0.680 0.000 2.051 21 E HA -0.394 3.942 4.350 -0.023 0.000 0.192 21 E C 2.113 178.662 176.600 -0.084 0.000 0.991 21 E CA 2.860 59.138 56.400 -0.203 0.000 0.799 21 E CB -0.193 29.507 29.700 -0.000 0.000 0.748 21 E HN 0.223 8.212 8.360 -0.612 0.004 0.449 22 G N -1.270 107.455 108.800 -0.125 0.000 2.421 22 G HA2 -0.297 3.590 3.960 -0.122 0.000 0.216 22 G HA3 -0.297 3.523 3.960 -0.234 0.000 0.216 22 G C 1.380 176.198 174.900 -0.135 0.000 1.171 22 G CA 1.732 46.737 45.100 -0.157 0.000 0.775 22 G HN -0.483 7.641 8.290 -0.158 0.071 0.543 23 W N 1.281 122.481 121.300 -0.166 0.000 2.388 23 W HA -0.336 4.235 4.660 -0.149 0.000 0.294 23 W C 1.752 178.264 176.519 -0.011 0.000 1.212 23 W CA 2.887 60.174 57.345 -0.096 0.000 1.271 23 W CB -0.270 29.171 29.460 -0.033 0.000 1.126 23 W HN -0.122 8.116 8.180 0.097 0.000 0.535 24 A N -0.913 122.024 122.820 0.195 0.000 1.933 24 A HA -0.441 4.028 4.320 0.249 0.000 0.218 24 A C 1.649 179.276 177.584 0.071 0.000 1.175 24 A CA 3.083 55.221 52.037 0.168 0.000 0.628 24 A CB -0.926 18.207 19.000 0.222 0.000 0.814 24 A HN 0.631 8.835 8.150 0.090 0.000 0.444 25 K N -3.134 117.284 120.400 0.030 0.000 2.209 25 K HA -0.385 3.937 4.320 0.003 0.000 0.204 25 K C 2.495 179.073 176.600 -0.036 0.000 1.048 25 K CA 3.017 59.300 56.287 -0.006 0.000 0.940 25 K CB -0.264 32.226 32.500 -0.017 0.000 0.729 25 K HN -0.281 7.987 8.250 0.030 0.000 0.451 26 Q N -1.979 117.770 119.800 -0.085 0.000 2.089 26 Q HA -0.135 4.119 4.340 -0.143 0.000 0.195 26 Q C 1.699 177.601 176.000 -0.164 0.000 0.963 26 Q CA 1.490 57.179 55.803 -0.191 0.000 0.834 26 Q CB 0.121 28.641 28.738 -0.363 0.000 0.906 26 Q HN -0.609 7.472 8.270 -0.058 0.153 0.452 27 Y N -3.444 116.883 120.300 0.046 0.000 2.420 27 Y HA -0.166 4.411 4.550 0.045 0.000 0.292 27 Y C 0.677 176.575 175.900 -0.004 0.000 1.119 27 Y CA 2.249 60.370 58.100 0.035 0.000 1.229 27 Y CB 0.680 39.169 38.460 0.050 0.000 1.026 27 Y HN -0.395 7.900 8.280 0.025 0.000 0.554 28 L N -2.904 118.360 121.223 0.069 0.000 2.812 28 L HA 0.076 4.420 4.340 0.007 0.000 0.172 28 L C -0.020 176.888 176.870 0.062 0.000 1.892 28 L CA -0.334 54.468 54.840 -0.063 0.000 2.525 28 L CB 1.356 43.097 42.059 -0.530 0.000 2.930 28 L HN -0.186 7.974 8.230 0.056 0.103 0.625 29 G N -4.413 104.464 108.800 0.129 0.000 2.428 29 G HA2 0.078 4.099 3.960 0.102 0.000 0.304 29 G HA3 0.078 4.146 3.960 0.179 0.000 0.304 29 G C -1.149 173.892 174.900 0.235 0.000 1.303 29 G CA -0.237 44.964 45.100 0.169 0.000 0.825 29 G HN -0.571 7.783 8.290 0.107 0.000 0.484 30 D N -0.315 120.184 120.400 0.165 0.000 2.351 30 D HA -0.258 4.464 4.640 0.136 0.000 0.216 30 D C 1.855 178.248 176.300 0.156 0.000 0.968 30 D CA 1.537 55.621 54.000 0.141 0.000 0.899 30 D CB 0.258 41.111 40.800 0.088 0.000 0.907 30 D HN 0.131 8.576 8.370 0.126 0.000 0.514 31 E N -2.510 117.806 120.200 0.193 0.000 2.396 31 E HA -0.222 4.137 4.350 0.015 0.000 0.200 31 E C -0.454 176.165 176.600 0.033 0.000 1.023 31 E CA 1.622 58.077 56.400 0.090 0.000 0.857 31 E CB 0.163 29.917 29.700 0.091 0.000 0.775 31 E HN 0.102 8.544 8.360 0.231 0.057 0.525 32 W N -4.664 116.647 121.300 0.018 0.000 2.975 32 W HA 0.262 4.984 4.660 -0.010 -0.068 0.342 32 W C -1.490 175.005 176.519 -0.041 0.000 1.168 32 W CA -1.642 55.701 57.345 -0.003 0.000 1.141 32 W CB 3.046 32.523 29.460 0.029 0.000 1.445 32 W HN -0.354 7.922 8.180 0.464 0.182 0.560 33 K N -1.053 119.424 120.400 0.128 0.000 2.270 33 K HA 0.346 4.653 4.320 -0.022 0.000 0.255 33 K C -2.209 174.167 176.600 -0.373 0.000 0.936 33 K CA -1.928 54.289 56.287 -0.115 0.000 0.809 33 K CB 3.235 35.654 32.500 -0.136 0.000 1.131 33 K HN 0.286 8.522 8.250 0.141 0.099 0.427 34 V N 3.556 123.243 119.914 -0.377 0.000 2.443 34 V HA 0.749 4.904 4.120 -0.219 -0.166 0.293 34 V C -0.841 175.170 176.094 -0.139 0.000 1.021 34 V CA -2.122 60.052 62.300 -0.210 0.000 0.848 34 V CB 0.412 32.256 31.823 0.035 0.000 0.998 34 V HN 0.151 8.214 8.190 -0.213 0.000 0.424 35 Y N 2.968 123.439 120.300 0.286 0.000 2.669 35 Y HA 0.375 5.210 4.550 0.246 -0.136 0.335 35 Y C -1.639 174.513 175.900 0.420 0.000 1.116 35 Y CA -2.823 55.472 58.100 0.326 0.000 1.081 35 Y CB 2.369 41.016 38.460 0.312 0.000 1.297 35 Y HN 0.332 8.592 8.280 -0.034 0.000 0.484 36 S N -0.757 115.232 115.700 0.481 0.000 2.536 36 S HA 0.532 5.263 4.470 0.222 -0.128 0.287 36 S C -1.313 173.297 174.600 0.018 0.000 1.101 36 S CA -0.574 57.760 58.200 0.223 0.000 0.950 36 S CB 2.989 66.290 63.200 0.167 0.000 1.056 36 S HN 0.330 8.913 8.310 0.459 0.003 0.481 37 A N 2.460 125.130 122.820 -0.250 0.000 2.524 37 A HA 0.657 5.094 4.320 -0.098 -0.176 0.286 37 A C -2.307 175.196 177.584 -0.134 0.000 1.203 37 A CA -2.048 49.836 52.037 -0.255 0.000 0.736 37 A CB 3.462 22.105 19.000 -0.596 0.000 1.322 37 A HN 0.825 8.709 8.150 -0.261 0.109 0.424 38 G N -4.695 104.057 108.800 -0.081 0.000 2.608 38 G HA2 0.401 4.522 3.960 -0.035 0.000 0.291 38 G HA3 0.401 4.527 3.960 -0.012 -0.173 0.291 38 G C -0.666 174.226 174.900 -0.013 0.000 1.425 38 G CA 0.112 45.192 45.100 -0.033 0.000 0.787 38 G HN -0.457 7.870 8.290 -0.071 -0.080 0.484 39 I N -1.115 119.457 120.570 0.003 0.000 2.194 39 I HA -0.275 3.903 4.170 0.013 0.000 0.246 39 I C -0.704 175.423 176.117 0.018 0.000 1.093 39 I CA 2.755 64.062 61.300 0.013 0.000 1.355 39 I CB 0.290 38.301 38.000 0.017 0.000 1.046 39 I HN 0.382 8.595 8.210 0.006 0.000 0.413 40 E N -7.354 112.858 120.200 0.020 0.000 2.459 40 E HA 0.104 4.470 4.350 0.028 0.000 0.275 40 E C -2.227 174.393 176.600 0.034 0.000 0.987 40 E CA -1.628 54.789 56.400 0.029 0.000 0.828 40 E CB 2.813 32.533 29.700 0.034 0.000 1.428 40 E HN -0.945 7.425 8.360 0.018 0.001 0.457 41 A N -2.037 120.812 122.820 0.049 0.000 2.566 41 A HA 0.629 4.986 4.320 0.061 0.000 0.292 41 A C -1.863 175.788 177.584 0.112 0.000 1.112 41 A CA -0.516 51.558 52.037 0.061 0.000 0.707 41 A CB 2.979 22.001 19.000 0.036 0.000 1.302 41 A HN 0.282 8.463 8.150 0.052 0.000 0.409 42 H N 0.182 119.251 119.070 -0.002 0.000 2.998 42 H HA 0.311 4.867 4.556 0.001 0.000 0.223 42 H C -0.295 175.031 175.328 -0.003 0.000 0.906 42 H CA -0.183 55.863 56.048 -0.002 0.000 1.014 42 H CB 2.610 32.370 29.762 -0.003 0.000 1.389 42 H HN 0.383 8.742 8.280 0.132 0.000 0.467 43 G N -1.775 107.033 108.800 0.012 0.000 2.313 43 G HA2 -0.159 3.772 3.960 -0.049 0.000 0.296 43 G HA3 -0.159 3.754 3.960 -0.079 0.000 0.296 43 G C -2.471 172.434 174.900 0.009 0.000 1.356 43 G CA -0.035 45.044 45.100 -0.035 0.000 0.833 43 G HN -0.869 7.478 8.290 0.094 0.000 0.552 44 L N 0.699 121.918 121.223 -0.007 0.000 2.600 44 L HA -0.184 4.149 4.340 -0.011 0.000 0.278 44 L C -0.724 176.141 176.870 -0.007 0.000 1.139 44 L CA 0.050 54.884 54.840 -0.009 0.000 0.933 44 L CB -0.452 41.599 42.059 -0.014 0.000 1.266 44 L HN 0.148 8.367 8.230 -0.018 0.000 0.471 45 N N 8.654 127.347 118.700 -0.013 0.000 2.447 45 N HA 0.013 4.768 4.740 0.025 0.000 0.263 45 N C -0.654 174.830 175.510 -0.044 0.000 1.226 45 N CA -1.481 51.558 53.050 -0.018 0.000 0.906 45 N CB 1.218 39.673 38.487 -0.054 0.000 1.060 45 N HN -0.580 7.788 8.380 -0.019 0.000 0.468 46 P HA -0.352 4.066 4.420 -0.004 0.000 0.217 46 P C 0.973 178.251 177.300 -0.036 0.000 1.151 46 P CA 2.541 65.638 63.100 -0.006 0.000 0.849 46 P CB 0.273 31.993 31.700 0.033 0.000 0.787 47 N N -1.821 116.801 118.700 -0.130 0.000 2.043 47 N HA -0.323 4.292 4.740 -0.208 0.000 0.193 47 N C 1.534 176.862 175.510 -0.302 0.000 1.037 47 N CA 3.186 56.029 53.050 -0.344 0.000 0.851 47 N CB -0.433 37.540 38.487 -0.857 0.000 1.027 47 N HN 0.329 8.980 8.380 -0.124 -0.346 0.422 48 A N -0.728 121.947 122.820 -0.242 0.000 1.908 48 A HA -0.261 3.924 4.320 -0.225 0.000 0.218 48 A C 2.388 179.888 177.584 -0.141 0.000 1.181 48 A CA 2.754 54.677 52.037 -0.190 0.000 0.627 48 A CB -0.644 18.270 19.000 -0.144 0.000 0.818 48 A HN -0.498 7.436 8.150 -0.204 0.093 0.445 49 V N -0.721 119.134 119.914 -0.097 0.000 2.223 49 V HA -0.692 3.378 4.120 -0.083 0.000 0.244 49 V C 1.875 177.939 176.094 -0.049 0.000 1.045 49 V CA 4.583 66.843 62.300 -0.068 0.000 1.000 49 V CB -0.310 31.491 31.823 -0.037 0.000 0.635 49 V HN -0.227 7.904 8.190 -0.089 0.006 0.445 50 K N -0.686 119.718 120.400 0.005 0.000 2.057 50 K HA -0.464 3.901 4.320 0.076 0.000 0.207 50 K C 2.191 178.850 176.600 0.099 0.000 1.049 50 K CA 3.571 59.920 56.287 0.103 0.000 0.931 50 K CB -0.118 32.529 32.500 0.245 0.000 0.714 50 K HN 0.122 8.374 8.250 0.003 0.000 0.440 51 A N -0.991 121.814 122.820 -0.024 0.000 1.883 51 A HA -0.264 4.004 4.320 -0.087 0.000 0.217 51 A C 2.528 180.043 177.584 -0.115 0.000 1.186 51 A CA 3.143 55.114 52.037 -0.110 0.000 0.624 51 A CB -0.715 18.149 19.000 -0.227 0.000 0.822 51 A HN 0.392 8.382 8.150 -0.087 0.107 0.444 52 M N -3.097 116.397 119.600 -0.176 0.000 2.156 52 M HA -0.254 3.948 4.480 -0.464 0.000 0.264 52 M C 2.334 178.490 176.300 -0.239 0.000 1.067 52 M CA 2.971 58.086 55.300 -0.308 0.000 1.131 52 M CB -0.051 32.360 32.600 -0.316 0.000 1.368 52 M HN -0.664 7.533 8.290 -0.156 0.000 0.416 53 K N 0.436 120.759 120.400 -0.128 0.000 2.148 53 K HA -0.280 4.069 4.320 -0.118 -0.100 0.204 53 K C 3.150 179.720 176.600 -0.051 0.000 1.050 53 K CA 3.282 59.517 56.287 -0.085 0.000 0.942 53 K CB -0.121 32.355 32.500 -0.041 0.000 0.724 53 K HN 0.436 8.626 8.250 -0.100 0.000 0.446 54 E N -0.358 119.843 120.200 0.000 0.000 2.268 54 E HA -0.224 4.153 4.350 0.045 0.000 0.195 54 E C 1.210 177.802 176.600 -0.013 0.000 0.995 54 E CA 2.431 58.859 56.400 0.046 0.000 0.836 54 E CB -0.188 29.621 29.700 0.181 0.000 0.763 54 E HN 0.031 8.405 8.360 0.023 0.000 0.491 55 V N -2.976 116.873 119.914 -0.109 0.000 3.541 55 V HA -0.019 4.045 4.120 -0.093 0.000 0.267 55 V C 0.438 176.421 176.094 -0.185 0.000 1.213 55 V CA 0.395 62.588 62.300 -0.178 0.000 1.149 55 V CB 0.056 31.641 31.823 -0.396 0.000 0.822 55 V HN -0.459 7.475 8.190 -0.152 0.164 0.462 56 G N 0.050 108.758 108.800 -0.152 0.000 2.132 56 G HA2 -0.361 3.592 3.960 -0.097 0.000 0.234 56 G HA3 -0.361 3.530 3.960 -0.115 0.000 0.234 56 G C -0.714 174.083 174.900 -0.173 0.000 0.989 56 G CA 0.294 45.315 45.100 -0.132 0.000 0.676 56 G HN -0.326 7.678 8.290 -0.128 0.209 0.522 57 I N 0.993 121.421 120.570 -0.237 0.000 2.412 57 I HA 0.061 4.101 4.170 -0.217 0.000 0.279 57 I C -1.716 174.282 176.117 -0.199 0.000 1.063 57 I CA -0.905 60.237 61.300 -0.264 0.000 1.193 57 I CB -0.160 37.577 38.000 -0.438 0.000 1.370 57 I HN -0.284 7.680 8.210 -0.257 0.092 0.479 58 D N 7.637 127.956 120.400 -0.136 0.000 2.498 58 D HA -0.012 4.571 4.640 -0.095 0.000 0.229 58 D C 0.685 176.932 176.300 -0.089 0.000 1.188 58 D CA -0.774 53.168 54.000 -0.097 0.000 1.028 58 D CB -1.128 39.631 40.800 -0.068 0.000 1.087 58 D HN 0.491 8.786 8.370 -0.125 0.000 0.510 59 I N 0.105 120.614 120.570 -0.102 0.000 3.550 59 I HA 0.088 4.215 4.170 -0.071 0.000 0.295 59 I C 0.492 176.577 176.117 -0.052 0.000 1.291 59 I CA 0.507 61.758 61.300 -0.082 0.000 1.298 59 I CB -0.713 37.224 38.000 -0.106 0.000 1.026 59 I HN -0.392 7.718 8.210 -0.124 0.025 0.491 60 S N 1.754 117.428 115.700 -0.045 0.000 2.419 60 S HA -0.324 4.129 4.470 -0.029 0.000 0.235 60 S C 0.628 175.216 174.600 -0.019 0.000 1.019 60 S CA 3.575 61.757 58.200 -0.029 0.000 0.982 60 S CB -0.476 62.709 63.200 -0.024 0.000 0.789 60 S HN -0.250 8.210 8.310 -0.051 -0.181 0.490 61 N N -0.980 117.709 118.700 -0.017 0.000 2.396 61 N HA -0.090 4.647 4.740 -0.004 0.000 0.180 61 N C 0.073 175.586 175.510 0.005 0.000 1.028 61 N CA 0.706 53.753 53.050 -0.005 0.000 0.893 61 N CB 0.921 39.406 38.487 -0.003 0.000 0.967 61 N HN -0.289 8.041 8.380 -0.025 0.036 0.440 62 Q N -1.435 118.367 119.800 0.003 0.000 2.471 62 Q HA -0.074 4.289 4.340 0.038 0.000 0.223 62 Q C -1.110 174.900 176.000 0.016 0.000 1.045 62 Q CA 1.315 57.129 55.803 0.019 0.000 0.956 62 Q CB 1.023 29.769 28.738 0.013 0.000 1.249 62 Q HN -0.261 7.834 8.270 -0.011 0.168 0.549 63 T N -3.758 110.814 114.554 0.029 0.000 2.868 63 T HA 0.282 4.637 4.350 0.008 0.000 0.306 63 T C -1.495 173.225 174.700 0.033 0.000 1.224 63 T CA -1.555 60.557 62.100 0.021 0.000 1.012 63 T CB 2.898 71.776 68.868 0.016 0.000 1.221 63 T HN -0.099 8.170 8.240 0.049 0.000 0.499 64 S N -0.843 114.870 115.700 0.022 0.000 2.652 64 S HA 0.131 4.624 4.470 0.038 0.000 0.270 64 S C -1.326 173.293 174.600 0.032 0.000 1.243 64 S CA -0.682 57.534 58.200 0.028 0.000 0.999 64 S CB 1.073 64.284 63.200 0.018 0.000 0.973 64 S HN 0.029 8.344 8.310 0.009 0.000 0.544 65 D N -1.693 118.730 120.400 0.038 0.000 2.623 65 D HA 0.160 4.818 4.640 0.029 0.000 0.241 65 D C -1.685 174.634 176.300 0.031 0.000 1.241 65 D CA -1.159 52.864 54.000 0.039 0.000 0.788 65 D CB 2.650 43.488 40.800 0.064 0.000 1.413 65 D HN -0.414 7.977 8.370 0.035 0.000 0.429 66 I N -2.972 117.617 120.570 0.032 0.000 2.834 66 I HA 0.356 4.647 4.170 0.012 -0.114 0.305 66 I C -0.331 175.808 176.117 0.038 0.000 1.008 66 I CA -1.601 59.714 61.300 0.026 0.000 1.273 66 I CB 2.110 40.127 38.000 0.028 0.000 1.432 66 I HN 0.051 8.283 8.210 0.035 0.000 0.557 67 I N 1.776 122.359 120.570 0.023 0.000 2.815 67 I HA -0.215 3.972 4.170 0.028 0.000 0.291 67 I C -1.371 174.815 176.117 0.114 0.000 1.209 67 I CA 1.197 62.526 61.300 0.048 0.000 1.431 67 I CB 0.106 38.116 38.000 0.017 0.000 1.351 67 I HN 0.012 8.226 8.210 0.008 0.000 0.585 68 D N 8.115 128.643 120.400 0.213 0.000 2.542 68 D HA 0.250 4.956 4.640 0.110 0.000 0.252 68 D C 0.102 176.515 176.300 0.188 0.000 1.222 68 D CA -1.056 53.045 54.000 0.168 0.000 0.895 68 D CB 1.779 42.661 40.800 0.137 0.000 1.207 68 D HN -0.219 8.361 8.370 0.349 0.000 0.558 69 S N 6.613 122.387 115.700 0.123 0.000 2.419 69 S HA -0.411 4.141 4.470 0.136 0.000 0.235 69 S C 1.151 175.794 174.600 0.072 0.000 1.019 69 S CA 2.952 61.215 58.200 0.105 0.000 0.982 69 S CB 0.107 63.350 63.200 0.072 0.000 0.789 69 S HN 0.500 8.868 8.310 0.096 0.000 0.490 70 D N 0.442 120.868 120.400 0.043 0.000 2.264 70 D HA -0.136 4.511 4.640 0.011 0.000 0.208 70 D C 0.986 177.263 176.300 -0.039 0.000 0.966 70 D CA 2.648 56.651 54.000 0.005 0.000 0.864 70 D CB 0.145 40.941 40.800 -0.006 0.000 0.933 70 D HN -0.329 8.363 8.370 0.052 -0.291 0.499 71 I N -2.230 118.288 120.570 -0.087 0.000 3.039 71 I HA -0.131 3.931 4.170 -0.180 0.000 0.270 71 I C 1.801 177.794 176.117 -0.206 0.000 1.150 71 I CA 1.595 62.739 61.300 -0.260 0.000 1.448 71 I CB 0.940 38.571 38.000 -0.616 0.000 1.197 71 I HN -0.590 7.469 8.210 -0.019 0.139 0.450 72 L N 2.079 123.296 121.223 -0.010 0.000 1.997 72 L HA -0.411 4.126 4.340 0.329 0.000 0.216 72 L C 1.328 178.262 176.870 0.106 0.000 1.074 72 L CA 4.009 58.965 54.840 0.194 0.000 0.763 72 L CB 0.054 42.280 42.059 0.279 0.000 0.890 72 L HN -0.298 7.988 8.230 0.093 0.000 0.434 73 N N -4.557 114.190 118.700 0.077 0.000 2.520 73 N HA -0.290 4.608 4.740 0.092 -0.102 0.185 73 N C 0.411 175.969 175.510 0.081 0.000 1.068 73 N CA 2.000 55.099 53.050 0.080 0.000 0.911 73 N CB 0.071 38.601 38.487 0.072 0.000 0.961 73 N HN -0.009 8.415 8.380 0.073 0.000 0.446 74 N N -2.435 116.287 118.700 0.038 0.000 2.250 74 N HA 0.040 4.794 4.740 0.022 0.000 0.190 74 N C -0.386 175.140 175.510 0.026 0.000 1.116 74 N CA 0.538 53.598 53.050 0.017 0.000 0.881 74 N CB 1.382 39.859 38.487 -0.018 0.000 1.006 74 N HN -0.324 7.869 8.380 0.012 0.194 0.491 75 A N 0.231 123.072 122.820 0.035 0.000 2.483 75 A HA -0.057 4.285 4.320 0.036 0.000 0.238 75 A C -0.367 177.261 177.584 0.074 0.000 1.070 75 A CA 0.279 52.347 52.037 0.052 0.000 0.770 75 A CB 1.028 20.076 19.000 0.079 0.000 1.008 75 A HN -0.570 7.488 8.150 0.034 0.113 0.497 76 D N 1.024 121.469 120.400 0.076 0.000 2.178 76 D HA -0.125 4.718 4.640 0.062 -0.166 0.202 76 D C -0.012 176.360 176.300 0.120 0.000 0.974 76 D CA 3.096 57.142 54.000 0.077 0.000 0.841 76 D CB 1.315 42.135 40.800 0.034 0.000 0.953 76 D HN 0.234 8.538 8.370 0.081 0.115 0.478 77 L N -4.957 116.350 121.223 0.140 0.000 2.505 77 L HA 0.530 5.142 4.340 0.117 -0.201 0.259 77 L C -2.635 174.276 176.870 0.069 0.000 0.952 77 L CA -0.463 54.455 54.840 0.129 0.000 0.840 77 L CB 4.130 46.322 42.059 0.221 0.000 1.358 77 L HN -0.742 7.549 8.230 0.137 0.021 0.409 78 V N 4.126 124.067 119.914 0.046 0.000 2.555 78 V HA 0.610 4.941 4.120 0.018 -0.200 0.302 78 V C -1.460 174.611 176.094 -0.037 0.000 1.038 78 V CA -2.274 60.040 62.300 0.024 0.000 0.887 78 V CB 2.721 34.595 31.823 0.084 0.000 0.991 78 V HN 0.564 8.787 8.190 0.055 0.000 0.434 79 V N 6.784 126.640 119.914 -0.098 0.000 2.326 79 V HA 0.232 4.504 4.120 0.028 -0.135 0.281 79 V C -0.904 175.266 176.094 0.127 0.000 1.015 79 V CA -1.490 60.815 62.300 0.008 0.000 0.823 79 V CB 1.428 33.227 31.823 -0.040 0.000 1.009 79 V HN 0.472 8.567 8.190 -0.158 0.000 0.436 80 T N 5.132 119.749 114.554 0.106 0.000 2.992 80 T HA 0.326 4.917 4.350 0.092 -0.186 0.299 80 T C 0.872 175.658 174.700 0.142 0.000 1.027 80 T CA -1.452 60.703 62.100 0.091 0.000 1.001 80 T CB -0.430 68.472 68.868 0.056 0.000 1.005 80 T HN 0.875 9.047 8.240 0.061 0.104 0.599 81 L N 3.664 125.032 121.223 0.242 0.000 2.456 81 L HA -0.117 4.601 4.340 0.631 0.000 0.224 81 L C -0.558 176.483 176.870 0.284 0.000 1.148 81 L CA 2.226 57.293 54.840 0.378 0.000 0.825 81 L CB 0.083 42.307 42.059 0.274 0.000 0.937 81 L HN 0.763 9.116 8.230 0.206 0.000 0.450 82 C N -5.009 114.340 119.300 0.083 0.000 2.888 82 C HA 0.200 4.660 4.460 -0.076 -0.046 0.308 82 C C 1.436 176.347 174.990 -0.132 0.000 1.213 82 C CA -2.356 56.647 59.018 -0.026 0.000 1.461 82 C CB 2.546 30.315 27.740 0.048 0.000 1.934 82 C HN -0.491 7.716 8.230 0.055 0.056 0.474 83 G N 4.248 112.922 108.800 -0.210 0.000 2.422 83 G HA2 -0.352 3.493 3.960 -0.192 0.000 0.218 83 G HA3 -0.352 3.643 3.960 0.059 0.000 0.218 83 G C 0.809 175.737 174.900 0.047 0.000 1.140 83 G CA 2.302 47.352 45.100 -0.083 0.000 0.775 83 G HN 0.636 8.796 8.290 -0.216 0.000 0.545 84 D N 1.576 121.990 120.400 0.024 0.000 2.219 84 D HA -0.208 4.456 4.640 0.041 0.000 0.205 84 D C 1.527 177.846 176.300 0.032 0.000 0.970 84 D CA 2.189 56.209 54.000 0.032 0.000 0.851 84 D CB -0.135 40.680 40.800 0.025 0.000 0.943 84 D HN -0.232 8.141 8.370 0.005 0.000 0.488 85 A N -1.384 121.452 122.820 0.027 0.000 2.014 85 A HA -0.060 4.277 4.320 0.028 0.000 0.218 85 A C 1.522 179.129 177.584 0.039 0.000 1.163 85 A CA 2.295 54.350 52.037 0.030 0.000 0.652 85 A CB -0.565 18.454 19.000 0.032 0.000 0.808 85 A HN -0.357 7.649 8.150 0.015 0.153 0.449 86 A N -1.703 121.150 122.820 0.055 0.000 2.125 86 A HA -0.245 4.116 4.320 0.067 0.000 0.219 86 A C 1.348 178.967 177.584 0.058 0.000 1.156 86 A CA 2.185 54.269 52.037 0.078 0.000 0.671 86 A CB -0.583 18.515 19.000 0.164 0.000 0.794 86 A HN -0.306 7.719 8.150 0.052 0.156 0.459 87 D N -1.573 118.856 120.400 0.048 0.000 2.182 87 D HA -0.206 4.453 4.640 0.032 0.000 0.201 87 D C 1.023 177.343 176.300 0.033 0.000 0.986 87 D CA 2.323 56.344 54.000 0.035 0.000 0.847 87 D CB 0.132 40.950 40.800 0.030 0.000 0.942 87 D HN -0.252 8.110 8.370 0.049 0.037 0.467 88 K N 0.637 121.058 120.400 0.034 0.000 2.751 88 K HA 0.075 4.414 4.320 0.032 0.000 0.252 88 K C -0.803 175.820 176.600 0.039 0.000 1.277 88 K CA -1.015 55.291 56.287 0.033 0.000 1.226 88 K CB -1.205 31.311 32.500 0.027 0.000 1.658 88 K HN -0.419 7.711 8.250 0.035 0.141 0.303 89 C N 1.610 120.935 119.300 0.042 0.000 2.955 89 C HA 0.288 4.785 4.460 0.062 0.000 0.262 89 C C -1.412 173.606 174.990 0.048 0.000 1.279 89 C CA -2.535 56.513 59.018 0.050 0.000 1.615 89 C CB -0.085 27.683 27.740 0.047 0.000 1.755 89 C HN -0.039 8.140 8.230 0.037 0.073 0.452 90 P HA -0.066 4.376 4.420 0.037 0.000 0.219 90 P C -1.322 176.004 177.300 0.044 0.000 1.146 90 P CA 1.295 64.422 63.100 0.045 0.000 0.808 90 P CB 0.363 32.092 31.700 0.048 0.000 0.779 91 M N -5.572 114.060 119.600 0.054 0.000 2.298 91 M HA 0.264 4.766 4.480 0.037 0.000 0.255 91 M C -2.352 173.983 176.300 0.059 0.000 1.021 91 M CA -0.102 55.227 55.300 0.049 0.000 0.968 91 M CB 2.442 35.071 32.600 0.048 0.000 2.037 91 M HN -0.740 7.564 8.290 0.066 0.026 0.478 92 T N -0.637 113.945 114.554 0.046 0.000 3.317 92 T HA 0.475 4.865 4.350 0.068 0.000 0.361 92 T C -1.793 172.920 174.700 0.022 0.000 1.499 92 T CA -3.222 58.908 62.100 0.050 0.000 1.529 92 T CB -0.077 68.822 68.868 0.053 0.000 0.997 92 T HN 0.102 8.362 8.240 0.033 0.000 0.624 93 P HA 0.097 4.478 4.420 -0.064 0.000 0.272 93 P C -0.539 176.695 177.300 -0.109 0.000 1.243 93 P CA -0.822 62.241 63.100 -0.063 0.000 0.803 93 P CB -0.807 30.849 31.700 -0.074 0.000 0.974 94 P HA -0.173 4.194 4.420 -0.089 0.000 0.222 94 P C -0.071 177.148 177.300 -0.136 0.000 1.142 94 P CA 1.694 64.688 63.100 -0.176 0.000 0.788 94 P CB -0.179 31.400 31.700 -0.202 0.000 0.767 95 H N -6.304 112.770 119.070 0.008 0.000 2.543 95 H HA -0.144 4.412 4.556 -0.001 0.000 0.286 95 H C -0.911 174.425 175.328 0.013 0.000 1.037 95 H CA 1.174 57.225 56.048 0.005 0.000 1.250 95 H CB 0.030 29.795 29.762 0.004 0.000 1.373 95 H HN 0.081 8.002 8.280 -0.520 0.047 0.580 96 V N -3.625 116.349 119.914 0.101 0.000 3.001 96 V HA 0.640 5.011 4.120 0.095 -0.194 0.314 96 V C -1.629 174.500 176.094 0.059 0.000 1.099 96 V CA -2.379 59.972 62.300 0.085 0.000 0.989 96 V CB 3.280 35.154 31.823 0.086 0.000 1.040 96 V HN -0.139 7.889 8.190 0.048 0.191 0.434 97 K N -0.438 120.004 120.400 0.070 0.000 2.466 97 K HA 0.351 4.695 4.320 0.040 0.000 0.260 97 K C -2.348 174.288 176.600 0.060 0.000 1.011 97 K CA -1.549 54.773 56.287 0.060 0.000 0.871 97 K CB 2.806 35.351 32.500 0.075 0.000 1.404 97 K HN -0.007 8.294 8.250 0.086 0.000 0.450 98 R N -0.752 119.772 120.500 0.040 0.000 2.807 98 R HA 0.905 5.479 4.340 0.033 -0.213 0.276 98 R C -0.618 175.684 176.300 0.003 0.000 0.979 98 R CA -1.600 54.515 56.100 0.026 0.000 0.928 98 R CB 3.294 33.605 30.300 0.019 0.000 1.191 98 R HN 0.320 8.608 8.270 0.031 0.000 0.471 99 E N 0.918 121.104 120.200 -0.023 0.000 2.393 99 E HA 0.288 4.550 4.350 -0.146 0.000 0.273 99 E C -2.296 174.194 176.600 -0.183 0.000 0.918 99 E CA -2.035 54.293 56.400 -0.120 0.000 0.773 99 E CB 3.792 33.461 29.700 -0.052 0.000 1.275 99 E HN 0.308 8.664 8.360 -0.007 0.000 0.451 100 H N 3.731 122.418 119.070 -0.637 0.000 2.865 100 H HA 0.848 5.435 4.556 -0.269 -0.192 0.362 100 H C -1.513 173.279 175.328 -0.892 0.000 1.114 100 H CA -1.002 54.729 56.048 -0.528 0.000 1.208 100 H CB 2.329 31.905 29.762 -0.311 0.000 1.727 100 H HN 0.247 8.110 8.280 -0.695 0.000 0.534 101 W N 3.860 125.006 121.300 -0.257 0.000 3.274 101 W HA 0.274 4.847 4.660 -0.146 0.000 0.353 101 W C -0.590 175.647 176.519 -0.470 0.000 1.147 101 W CA -1.140 56.066 57.345 -0.232 0.000 1.054 101 W CB 2.438 31.940 29.460 0.069 0.000 1.510 101 W HN 0.585 8.539 8.180 -0.376 0.000 0.602 102 G N -1.077 107.562 108.800 -0.268 0.000 4.921 102 G HA2 0.207 4.041 3.960 -0.211 0.000 0.248 102 G HA3 0.207 4.017 3.960 -0.251 0.000 0.248 102 G C -1.707 172.990 174.900 -0.337 0.000 1.026 102 G CA -0.106 44.822 45.100 -0.287 0.000 0.825 102 G HN 0.227 8.220 8.290 -0.494 0.000 0.538 103 F N 2.232 122.200 119.950 0.030 0.000 2.466 103 F HA -0.101 4.436 4.527 0.016 0.000 0.363 103 F C -0.606 175.228 175.800 0.057 0.000 1.109 103 F CA -0.124 57.891 58.000 0.024 0.000 1.161 103 F CB 0.289 39.282 39.000 -0.013 0.000 1.117 103 F HN 0.318 8.551 8.300 0.058 0.101 0.539 104 D N 2.880 123.410 120.400 0.217 0.000 2.378 104 D HA -0.232 4.493 4.640 0.143 0.000 0.238 104 D C -0.652 175.810 176.300 0.270 0.000 1.180 104 D CA 0.466 54.601 54.000 0.224 0.000 0.895 104 D CB 1.721 42.688 40.800 0.277 0.000 1.192 104 D HN -0.166 8.314 8.370 0.184 0.000 0.438 105 D N 1.680 122.175 120.400 0.159 0.000 2.325 105 D HA 0.100 4.817 4.640 0.128 0.000 0.251 105 D C -0.051 176.325 176.300 0.127 0.000 1.196 105 D CA -1.811 52.259 54.000 0.117 0.000 0.866 105 D CB 0.971 41.797 40.800 0.044 0.000 1.101 105 D HN 0.142 8.574 8.370 0.103 0.000 0.476 106 P HA -0.045 4.634 4.420 0.432 0.000 0.219 106 P C 0.701 178.139 177.300 0.230 0.000 1.150 106 P CA 1.407 64.706 63.100 0.332 0.000 0.814 106 P CB 0.316 32.230 31.700 0.356 0.000 0.787 107 A N -1.594 121.273 122.820 0.079 0.000 2.121 107 A HA -0.247 4.219 4.320 0.243 0.000 0.218 107 A C 0.414 178.054 177.584 0.094 0.000 1.154 107 A CA 2.087 54.184 52.037 0.100 0.000 0.679 107 A CB -0.488 18.498 19.000 -0.023 0.000 0.795 107 A HN -0.413 7.910 8.150 0.015 -0.163 0.458 108 R N -3.971 116.529 120.500 -0.001 0.000 2.334 108 R HA 0.020 4.340 4.340 -0.033 0.000 0.216 108 R C -0.346 175.858 176.300 -0.160 0.000 0.905 108 R CA -1.851 54.212 56.100 -0.062 0.000 1.064 108 R CB -0.114 30.146 30.300 -0.067 0.000 1.046 108 R HN -0.621 7.590 8.270 -0.014 0.051 0.508 109 A N 1.204 123.857 122.820 -0.277 0.000 2.520 109 A HA -0.214 3.735 4.320 -0.620 0.000 0.235 109 A C -0.972 176.476 177.584 -0.225 0.000 1.065 109 A CA 1.045 52.789 52.037 -0.489 0.000 0.764 109 A CB 0.762 19.301 19.000 -0.767 0.000 1.002 109 A HN -0.418 7.459 8.150 -0.163 0.176 0.502 110 Q N 0.466 120.150 119.800 -0.194 0.000 2.575 110 Q HA 0.027 4.316 4.340 -0.085 0.000 0.290 110 Q C -1.286 174.672 176.000 -0.070 0.000 0.963 110 Q CA -0.625 55.117 55.803 -0.102 0.000 0.783 110 Q CB 1.593 30.284 28.738 -0.078 0.000 1.467 110 Q HN -0.144 7.981 8.270 -0.242 0.000 0.402 111 G N -0.720 108.054 108.800 -0.043 0.000 3.876 111 G HA2 -0.124 3.824 3.960 -0.020 0.000 0.203 111 G HA3 -0.124 3.826 3.960 -0.016 0.000 0.203 111 G C -1.284 173.607 174.900 -0.017 0.000 1.162 111 G CA 1.135 46.221 45.100 -0.023 0.000 0.903 111 G HN 0.713 8.979 8.290 -0.040 0.000 0.390 112 T N -0.679 113.863 114.554 -0.020 0.000 2.733 112 T HA 0.112 4.453 4.350 -0.015 0.000 0.312 112 T C -0.958 173.727 174.700 -0.025 0.000 1.590 112 T CA -1.055 61.035 62.100 -0.016 0.000 1.005 112 T CB 1.021 69.884 68.868 -0.008 0.000 1.528 112 T HN -0.508 7.715 8.240 -0.028 0.000 0.496 113 E N 2.776 122.964 120.200 -0.020 0.000 2.085 113 E HA -0.380 3.951 4.350 -0.033 0.000 0.194 113 E C 1.224 177.814 176.600 -0.017 0.000 0.994 113 E CA 3.663 60.049 56.400 -0.023 0.000 0.801 113 E CB 0.094 29.786 29.700 -0.014 0.000 0.743 113 E HN 0.598 8.948 8.360 -0.015 0.000 0.453 114 E N -2.983 117.217 120.200 -0.001 0.000 2.208 114 E HA -0.274 4.119 4.350 0.071 0.000 0.193 114 E C 2.299 178.929 176.600 0.050 0.000 0.988 114 E CA 2.481 58.903 56.400 0.037 0.000 0.828 114 E CB -0.609 29.102 29.700 0.019 0.000 0.763 114 E HN -0.037 8.311 8.360 -0.008 0.007 0.478 115 E N 1.198 121.406 120.200 0.012 0.000 2.046 115 E HA -0.236 4.143 4.350 0.048 0.000 0.190 115 E C 1.838 178.425 176.600 -0.022 0.000 0.982 115 E CA 2.243 58.654 56.400 0.018 0.000 0.800 115 E CB -0.350 29.358 29.700 0.013 0.000 0.756 115 E HN -0.639 7.576 8.360 -0.003 0.143 0.449 116 K N 1.087 121.414 120.400 -0.121 0.000 2.009 116 K HA -0.336 3.849 4.320 -0.225 0.000 0.210 116 K C 1.881 178.040 176.600 -0.735 0.000 1.049 116 K CA 3.663 59.759 56.287 -0.319 0.000 0.929 116 K CB -0.074 32.262 32.500 -0.275 0.000 0.714 116 K HN -0.033 8.163 8.250 -0.091 0.000 0.440 117 W N -0.828 120.014 121.300 -0.762 0.000 2.358 117 W HA -0.309 3.466 4.660 -1.474 0.000 0.303 117 W C 1.172 177.544 176.519 -0.245 0.000 1.208 117 W CA 3.401 60.317 57.345 -0.715 0.000 1.274 117 W CB 0.051 29.333 29.460 -0.297 0.000 1.138 117 W HN 0.221 8.180 8.180 -0.191 0.107 0.515 118 A N -1.155 121.662 122.820 -0.005 0.000 1.908 118 A HA -0.389 3.957 4.320 0.043 0.000 0.218 118 A C 1.779 179.362 177.584 -0.001 0.000 1.181 118 A CA 3.092 55.144 52.037 0.026 0.000 0.627 118 A CB -1.241 17.807 19.000 0.081 0.000 0.818 118 A HN 0.222 8.302 8.150 0.074 0.115 0.445 119 F N -0.281 119.597 119.950 -0.120 0.000 2.134 119 F HA -0.438 4.083 4.527 -0.009 0.000 0.299 119 F C 1.154 176.980 175.800 0.043 0.000 1.097 119 F CA 4.082 62.064 58.000 -0.030 0.000 1.264 119 F CB 0.305 39.303 39.000 -0.002 0.000 1.001 119 F HN 0.029 8.402 8.300 0.122 0.000 0.479 120 F N -1.874 118.077 119.950 0.001 0.000 2.091 120 F HA -0.513 3.969 4.527 -0.075 0.000 0.299 120 F C 2.506 178.124 175.800 -0.303 0.000 1.103 120 F CA 1.200 59.069 58.000 -0.218 0.000 1.228 120 F CB -1.850 36.831 39.000 -0.532 0.000 0.984 120 F HN 0.027 8.267 8.300 0.031 0.079 0.477 121 Q N -1.861 117.829 119.800 -0.184 0.000 2.084 121 Q HA -0.349 3.909 4.340 -0.136 0.000 0.202 121 Q C 2.947 178.893 176.000 -0.091 0.000 0.978 121 Q CA 2.941 58.656 55.803 -0.147 0.000 0.844 121 Q CB -0.733 27.938 28.738 -0.111 0.000 0.898 121 Q HN 0.094 8.122 8.270 -0.292 0.067 0.426 122 R N 0.093 120.517 120.500 -0.126 0.000 2.070 122 R HA -0.257 4.005 4.340 -0.130 0.000 0.233 122 R C 2.606 178.790 176.300 -0.193 0.000 1.137 122 R CA 2.982 58.977 56.100 -0.175 0.000 0.945 122 R CB -0.444 29.692 30.300 -0.273 0.000 0.845 122 R HN 0.128 8.325 8.270 -0.122 0.000 0.430 123 V N -0.194 119.595 119.914 -0.207 0.000 2.343 123 V HA -0.476 3.546 4.120 -0.164 0.000 0.247 123 V C 1.768 177.714 176.094 -0.246 0.000 1.051 123 V CA 4.294 66.481 62.300 -0.189 0.000 1.036 123 V CB -0.213 31.560 31.823 -0.082 0.000 0.654 123 V HN 0.266 8.329 8.190 -0.213 0.000 0.451 124 R N -1.293 119.133 120.500 -0.122 0.000 2.081 124 R HA -0.439 3.886 4.340 -0.025 0.000 0.235 124 R C 1.695 177.866 176.300 -0.215 0.000 1.131 124 R CA 3.592 59.700 56.100 0.013 0.000 0.960 124 R CB -0.857 29.613 30.300 0.283 0.000 0.856 124 R HN 0.137 8.359 8.270 -0.080 0.000 0.436 125 D N -0.066 120.229 120.400 -0.175 0.000 2.117 125 D HA -0.309 4.139 4.640 -0.319 0.000 0.197 125 D C 2.023 178.061 176.300 -0.437 0.000 0.987 125 D CA 3.890 57.725 54.000 -0.275 0.000 0.829 125 D CB -0.041 40.684 40.800 -0.125 0.000 0.961 125 D HN -0.061 8.253 8.370 -0.093 0.000 0.460 126 E N -0.330 119.657 120.200 -0.355 0.000 2.107 126 E HA -0.275 3.914 4.350 -0.268 0.000 0.191 126 E C 2.735 178.992 176.600 -0.571 0.000 0.982 126 E CA 2.822 59.034 56.400 -0.313 0.000 0.809 126 E CB 0.127 29.814 29.700 -0.021 0.000 0.756 126 E HN -0.226 7.969 8.360 -0.276 0.000 0.459 127 I N 0.233 120.301 120.570 -0.836 0.000 2.252 127 I HA -0.421 3.108 4.170 -1.067 0.000 0.245 127 I C 1.702 177.214 176.117 -1.008 0.000 1.102 127 I CA 3.287 63.993 61.300 -0.991 0.000 1.385 127 I CB -0.066 37.398 38.000 -0.894 0.000 1.064 127 I HN 0.301 8.071 8.210 -0.734 0.000 0.414 128 G N -1.548 106.352 108.800 -1.500 0.000 2.404 128 G HA2 -0.482 2.720 3.960 -1.264 0.000 0.215 128 G HA3 -0.482 1.859 3.960 -2.698 0.000 0.215 128 G C 0.726 175.106 174.900 -0.867 0.000 1.174 128 G CA 2.277 46.380 45.100 -1.662 0.000 0.780 128 G HN 0.402 7.765 8.290 -1.544 0.000 0.537 129 N N 1.969 120.242 118.700 -0.712 0.000 2.094 129 N HA -0.385 4.082 4.740 -0.455 0.000 0.191 129 N C 1.895 177.107 175.510 -0.496 0.000 1.023 129 N CA 3.326 56.078 53.050 -0.497 0.000 0.857 129 N CB 0.093 38.370 38.487 -0.349 0.000 1.013 129 N HN 0.157 7.980 8.380 -0.749 0.108 0.426 130 R N 0.209 120.369 120.500 -0.567 0.000 2.083 130 R HA -0.212 3.968 4.340 -0.579 -0.188 0.237 130 R C 2.479 178.529 176.300 -0.417 0.000 1.137 130 R CA 2.905 58.631 56.100 -0.623 0.000 0.951 130 R CB -0.462 29.272 30.300 -0.944 0.000 0.851 130 R HN 0.079 7.792 8.270 -0.620 0.185 0.434 131 L N -0.777 120.192 121.223 -0.423 0.000 2.141 131 L HA -0.198 4.139 4.340 -0.004 0.000 0.209 131 L C 1.898 178.518 176.870 -0.417 0.000 1.094 131 L CA 2.845 57.553 54.840 -0.221 0.000 0.763 131 L CB -1.108 40.934 42.059 -0.028 0.000 0.908 131 L HN 0.068 7.979 8.230 -0.530 0.000 0.437 132 K N 0.294 120.135 120.400 -0.931 0.000 2.032 132 K HA -0.407 3.303 4.320 -1.016 0.000 0.209 132 K C 2.053 178.450 176.600 -0.338 0.000 1.048 132 K CA 3.598 59.352 56.287 -0.887 0.000 0.927 132 K CB -0.362 31.593 32.500 -0.907 0.000 0.712 132 K HN 0.321 7.905 8.250 -0.995 0.068 0.441 133 E N -0.784 119.278 120.200 -0.229 0.000 2.031 133 E HA -0.320 3.989 4.350 -0.068 0.000 0.193 133 E C 2.882 179.502 176.600 0.033 0.000 0.994 133 E CA 3.023 59.383 56.400 -0.068 0.000 0.800 133 E CB -0.231 29.457 29.700 -0.020 0.000 0.752 133 E HN 0.069 8.245 8.360 -0.306 0.000 0.447 134 F N 1.769 121.686 119.950 -0.055 0.000 2.161 134 F HA -0.310 4.288 4.527 0.118 0.000 0.300 134 F C 1.474 177.294 175.800 0.034 0.000 1.089 134 F CA 3.179 61.206 58.000 0.045 0.000 1.282 134 F CB 0.093 39.135 39.000 0.070 0.000 1.010 134 F HN 0.348 8.744 8.300 0.159 0.000 0.485 135 A N -1.268 121.490 122.820 -0.104 0.000 1.897 135 A HA -0.271 3.906 4.320 -0.239 0.000 0.215 135 A C 1.404 178.932 177.584 -0.092 0.000 1.181 135 A CA 2.387 54.347 52.037 -0.128 0.000 0.620 135 A CB -0.700 18.306 19.000 0.011 0.000 0.821 135 A HN 0.073 8.121 8.150 0.018 0.113 0.443 136 E N -3.137 117.021 120.200 -0.069 0.000 2.076 136 E HA -0.180 4.160 4.350 -0.016 0.000 0.190 136 E C 2.637 179.215 176.600 -0.037 0.000 0.979 136 E CA 1.930 58.307 56.400 -0.037 0.000 0.807 136 E CB 0.469 30.148 29.700 -0.036 0.000 0.761 136 E HN -0.271 8.039 8.360 -0.084 0.000 0.454 137 T N -5.155 109.374 114.554 -0.042 0.000 3.054 137 T HA -0.056 4.288 4.350 -0.010 0.000 0.259 137 T C 1.558 176.231 174.700 -0.045 0.000 1.092 137 T CA 0.577 62.665 62.100 -0.019 0.000 1.121 137 T CB 1.120 70.001 68.868 0.021 0.000 0.912 137 T HN 0.103 8.207 8.240 -0.044 0.109 0.489 138 G N 3.610 112.335 108.800 -0.126 0.000 2.273 138 G HA2 -0.469 3.369 3.960 -0.327 0.000 0.280 138 G HA3 -0.469 3.432 3.960 -0.099 0.000 0.280 138 G C -0.482 174.351 174.900 -0.111 0.000 1.047 138 G CA 0.761 45.755 45.100 -0.175 0.000 0.869 138 G HN -0.452 7.709 8.290 -0.172 0.026 0.502 139 K N 0.000 120.369 120.400 -0.052 0.000 2.780 139 K HA 0.000 4.373 4.320 0.089 0.000 0.191 139 K CA 0.000 56.364 56.287 0.128 0.000 0.838 139 K CB 0.000 32.677 32.500 0.295 0.000 1.064 139 K HN 0.000 8.190 8.250 -0.099 0.000 0.543