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 1p4s_12_A DATA FIRST_RESID 1 DATA SEQUENCE MRVLLLGPPG AGKGTQAVKL AEKLGIPQIS TGELFRRNIE EGTKLGVEAK DATA SEQUENCE RYLDAGDLVP SDLTNELVDD RLNNPDAANG FILDGYPRSV EQAKALHEML DATA SEQUENCE ERRGTDIDAV LEFRVSEEVL LERLKGRGRA DDTDDVILNR MKVYRDETAP DATA SEQUENCE LLEYYRDQLK TVDAVGTMDE VFARALRALG K 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 4.401 4.480 -0.131 0.000 0.227 1 M C 0.000 176.196 176.300 -0.174 0.000 1.140 1 M CA 0.000 55.227 55.300 -0.122 0.000 0.988 1 M CB 0.000 32.557 32.600 -0.071 0.000 1.302 2 R N -0.593 119.759 120.500 -0.246 0.000 2.795 2 R HA 0.409 4.628 4.340 -0.202 0.000 0.268 2 R C -3.319 172.861 176.300 -0.199 0.000 1.041 2 R CA -1.742 54.165 56.100 -0.322 0.000 0.927 2 R CB 2.293 32.140 30.300 -0.756 0.000 1.235 2 R HN 0.261 8.383 8.270 -0.247 0.000 0.463 3 V N -1.362 118.491 119.914 -0.102 0.000 3.040 3 V HA 0.910 5.235 4.120 0.027 -0.189 0.312 3 V C -1.783 174.385 176.094 0.125 0.000 1.115 3 V CA -1.968 60.349 62.300 0.029 0.000 0.998 3 V CB 4.262 36.110 31.823 0.043 0.000 1.042 3 V HN 0.189 8.307 8.190 -0.119 0.000 0.433 4 L N 0.006 121.296 121.223 0.111 0.000 2.464 4 L HA 0.802 5.351 4.340 0.118 -0.138 0.266 4 L C -2.703 174.194 176.870 0.045 0.000 0.965 4 L CA -1.740 53.161 54.840 0.102 0.000 0.833 4 L CB 2.437 44.569 42.059 0.120 0.000 1.296 4 L HN 0.477 8.759 8.230 0.086 0.000 0.405 5 L N 3.971 125.205 121.223 0.018 0.000 2.275 5 L HA 0.535 5.009 4.340 0.005 -0.131 0.288 5 L C -1.957 174.882 176.870 -0.052 0.000 1.046 5 L CA -1.372 53.449 54.840 -0.032 0.000 0.805 5 L CB 1.822 43.824 42.059 -0.095 0.000 1.193 5 L HN 0.133 8.384 8.230 0.033 0.000 0.426 6 L N 6.692 127.897 121.223 -0.030 0.000 2.333 6 L HA 0.577 4.896 4.340 -0.035 0.000 0.269 6 L C -1.322 175.564 176.870 0.026 0.000 1.010 6 L CA -0.983 53.850 54.840 -0.013 0.000 0.818 6 L CB 3.191 45.245 42.059 -0.008 0.000 1.306 6 L HN 0.565 8.797 8.230 0.004 0.000 0.430 7 G N -0.972 107.853 108.800 0.042 0.000 2.020 7 G HA2 0.119 4.309 3.960 0.130 0.000 0.304 7 G HA3 0.119 4.098 3.960 0.033 0.000 0.304 7 G C -2.587 172.364 174.900 0.085 0.000 1.500 7 G CA -0.620 44.525 45.100 0.074 0.000 1.120 7 G HN 0.133 8.443 8.290 0.033 0.000 0.555 8 P HA 0.142 4.691 4.420 0.215 0.000 0.273 8 P C -2.571 174.748 177.300 0.031 0.000 1.258 8 P CA -1.177 62.009 63.100 0.143 0.000 0.802 8 P CB 0.007 31.831 31.700 0.206 0.000 1.040 9 P HA -0.136 4.237 4.420 -0.079 0.000 0.255 9 P C -1.218 176.061 177.300 -0.035 0.000 1.173 9 P CA 0.729 63.774 63.100 -0.092 0.000 0.780 9 P CB -0.088 31.498 31.700 -0.190 0.000 0.758 10 G N 1.184 109.975 108.800 -0.016 0.000 2.864 10 G HA2 -0.034 4.056 3.960 0.002 0.000 0.223 10 G HA3 -0.034 4.093 3.960 0.025 -0.152 0.223 10 G C -1.705 173.201 174.900 0.011 0.000 3.561 10 G CA -0.325 44.779 45.100 0.007 0.000 0.548 10 G HN -0.313 7.962 8.290 -0.024 0.000 0.377 11 A N 4.375 127.195 122.820 0.000 0.000 5.122 11 A HA -0.236 4.080 4.320 -0.006 0.000 0.315 11 A C -0.818 176.758 177.584 -0.014 0.000 1.926 11 A CA 1.221 53.257 52.037 -0.002 0.000 0.712 11 A CB -0.935 18.072 19.000 0.011 0.000 1.325 11 A HN 0.325 8.472 8.150 -0.005 0.000 0.371 12 G N -0.140 108.646 108.800 -0.024 0.000 1.959 12 G HA2 0.004 3.935 3.960 -0.049 0.000 0.289 12 G HA3 0.004 3.942 3.960 -0.036 0.000 0.289 12 G C -0.358 174.499 174.900 -0.073 0.000 1.705 12 G CA -0.401 44.673 45.100 -0.045 0.000 0.913 12 G HN -0.008 8.273 8.290 -0.015 0.000 0.686 13 K N 4.475 124.797 120.400 -0.128 0.000 2.476 13 K HA 0.143 4.350 4.320 -0.189 0.000 0.196 13 K C 1.490 177.998 176.600 -0.152 0.000 1.025 13 K CA -0.684 55.475 56.287 -0.213 0.000 1.138 13 K CB -0.322 31.912 32.500 -0.444 0.000 0.860 13 K HN 0.438 8.614 8.250 -0.124 0.000 0.515 14 G N -0.285 108.460 108.800 -0.091 0.000 2.479 14 G HA2 -0.292 3.635 3.960 -0.055 0.000 0.220 14 G HA3 -0.292 3.640 3.960 -0.045 0.000 0.220 14 G C 0.862 175.730 174.900 -0.054 0.000 1.115 14 G CA 1.887 46.951 45.100 -0.060 0.000 0.757 14 G HN 0.402 8.590 8.290 -0.081 0.054 0.560 15 T N 2.720 117.240 114.554 -0.057 0.000 2.643 15 T HA -0.317 3.996 4.350 -0.061 0.000 0.264 15 T C 1.794 176.453 174.700 -0.070 0.000 1.045 15 T CA 4.792 66.857 62.100 -0.059 0.000 1.155 15 T CB -0.118 68.722 68.868 -0.047 0.000 0.863 15 T HN -0.456 7.707 8.240 -0.060 0.041 0.420 16 Q N 0.227 120.003 119.800 -0.041 0.000 2.435 16 Q HA -0.053 4.267 4.340 -0.033 0.000 0.207 16 Q C 1.895 177.911 176.000 0.027 0.000 0.956 16 Q CA 2.017 57.833 55.803 0.021 0.000 0.917 16 Q CB -0.672 28.174 28.738 0.181 0.000 0.997 16 Q HN -0.280 7.958 8.270 -0.054 0.000 0.497 17 A N 0.633 123.436 122.820 -0.028 0.000 1.872 17 A HA -0.148 4.187 4.320 0.026 0.000 0.214 17 A C 1.738 179.330 177.584 0.013 0.000 1.187 17 A CA 3.228 55.263 52.037 -0.002 0.000 0.614 17 A CB -0.697 18.288 19.000 -0.026 0.000 0.826 17 A HN -0.240 7.732 8.150 -0.059 0.142 0.442 18 V N -1.929 117.978 119.914 -0.010 0.000 2.427 18 V HA -0.483 3.641 4.120 0.006 0.000 0.248 18 V C 1.982 178.064 176.094 -0.020 0.000 1.051 18 V CA 3.680 65.973 62.300 -0.011 0.000 1.048 18 V CB -1.102 30.707 31.823 -0.023 0.000 0.666 18 V HN -0.418 7.756 8.190 -0.028 0.000 0.456 19 K N -0.095 120.265 120.400 -0.065 0.000 2.009 19 K HA -0.315 3.916 4.320 -0.148 0.000 0.210 19 K C 2.547 179.189 176.600 0.070 0.000 1.049 19 K CA 3.147 59.358 56.287 -0.128 0.000 0.929 19 K CB -0.516 31.741 32.500 -0.405 0.000 0.714 19 K HN -0.575 7.628 8.250 -0.077 0.000 0.440 20 L N -1.427 119.907 121.223 0.184 0.000 2.201 20 L HA -0.250 4.301 4.340 0.351 0.000 0.212 20 L C 1.471 178.421 176.870 0.133 0.000 1.105 20 L CA 2.251 57.235 54.840 0.239 0.000 0.775 20 L CB -0.577 41.619 42.059 0.229 0.000 0.913 20 L HN -0.528 7.776 8.230 0.123 0.000 0.440 21 A N -0.843 122.030 122.820 0.088 0.000 1.930 21 A HA -0.316 4.044 4.320 0.066 0.000 0.217 21 A C 2.228 179.846 177.584 0.058 0.000 1.175 21 A CA 3.283 55.359 52.037 0.065 0.000 0.627 21 A CB -0.919 18.111 19.000 0.051 0.000 0.815 21 A HN -0.233 7.963 8.150 0.077 0.000 0.443 22 E N -2.210 118.022 120.200 0.053 0.000 2.110 22 E HA -0.285 4.088 4.350 0.038 0.000 0.193 22 E C 2.112 178.756 176.600 0.073 0.000 0.988 22 E CA 2.238 58.668 56.400 0.050 0.000 0.804 22 E CB -0.463 29.255 29.700 0.029 0.000 0.745 22 E HN -0.291 8.095 8.360 0.045 0.000 0.458 23 K N -2.311 118.157 120.400 0.114 0.000 2.001 23 K HA -0.178 4.205 4.320 0.105 0.000 0.208 23 K C 1.861 178.501 176.600 0.068 0.000 1.048 23 K CA 1.698 58.052 56.287 0.111 0.000 0.932 23 K CB 0.162 32.754 32.500 0.153 0.000 0.715 23 K HN -0.562 7.687 8.250 0.139 0.084 0.437 24 L N -3.686 117.574 121.223 0.062 0.000 2.307 24 L HA 0.012 4.371 4.340 0.031 0.000 0.211 24 L C 0.968 177.858 176.870 0.034 0.000 1.099 24 L CA 0.584 55.448 54.840 0.040 0.000 0.816 24 L CB 0.788 42.868 42.059 0.036 0.000 0.952 24 L HN -0.441 7.835 8.230 0.076 0.000 0.455 25 G N -1.808 107.016 108.800 0.039 0.000 2.203 25 G HA2 -0.373 3.607 3.960 0.033 0.000 0.231 25 G HA3 -0.373 3.604 3.960 0.029 0.000 0.231 25 G C -0.769 174.154 174.900 0.037 0.000 1.058 25 G CA 0.034 45.154 45.100 0.034 0.000 0.781 25 G HN -0.365 7.952 8.290 0.046 0.000 0.496 26 I N 0.399 120.996 120.570 0.045 0.000 2.707 26 I HA 0.377 4.583 4.170 0.059 0.000 0.309 26 I C -1.670 174.484 176.117 0.062 0.000 1.001 26 I CA -4.573 56.762 61.300 0.059 0.000 1.129 26 I CB 0.259 38.299 38.000 0.067 0.000 1.308 26 I HN -0.729 7.509 8.210 0.047 0.000 0.466 27 P HA 0.092 4.540 4.420 0.046 0.000 0.274 27 P C -1.643 175.703 177.300 0.078 0.000 1.470 27 P CA -1.053 62.085 63.100 0.064 0.000 1.001 27 P CB -0.425 31.311 31.700 0.059 0.000 1.332 28 Q N 5.048 124.885 119.800 0.062 0.000 2.286 28 Q HA -0.064 4.501 4.340 0.087 -0.173 0.265 28 Q C -0.525 175.504 176.000 0.049 0.000 1.080 28 Q CA -0.712 55.129 55.803 0.063 0.000 0.906 28 Q CB 0.094 28.859 28.738 0.045 0.000 1.227 28 Q HN -0.181 8.119 8.270 0.050 0.000 0.409 29 I N 8.481 129.085 120.570 0.057 0.000 2.287 29 I HA 0.160 4.347 4.170 0.029 0.000 0.290 29 I C -1.400 174.741 176.117 0.041 0.000 1.069 29 I CA -2.360 58.963 61.300 0.038 0.000 1.237 29 I CB -1.637 36.376 38.000 0.021 0.000 1.418 29 I HN 0.207 8.467 8.210 0.084 0.000 0.481 30 S N 6.885 122.605 115.700 0.033 0.000 2.457 30 S HA 0.528 5.169 4.470 0.025 -0.156 0.289 30 S C 1.730 176.354 174.600 0.040 0.000 1.163 30 S CA -2.010 56.206 58.200 0.027 0.000 1.078 30 S CB 1.183 64.391 63.200 0.013 0.000 0.987 30 S HN 0.303 8.631 8.310 0.030 0.000 0.482 31 T N 6.380 120.949 114.554 0.024 0.000 3.007 31 T HA -0.145 4.264 4.350 0.098 0.000 0.270 31 T C 1.393 176.106 174.700 0.023 0.000 1.107 31 T CA 2.386 64.495 62.100 0.014 0.000 1.118 31 T CB -0.235 68.578 68.868 -0.091 0.000 0.889 31 T HN 0.128 8.376 8.240 0.013 0.000 0.506 32 G N -0.634 108.175 108.800 0.016 0.000 2.623 32 G HA2 -0.062 3.906 3.960 0.014 0.000 0.214 32 G HA3 -0.062 3.904 3.960 0.010 0.000 0.214 32 G C 0.070 175.025 174.900 0.091 0.000 1.138 32 G CA 0.363 45.486 45.100 0.038 0.000 0.794 32 G HN -0.101 8.157 8.290 0.007 0.037 0.535 33 E N 1.972 122.220 120.200 0.079 0.000 2.033 33 E HA -0.170 4.203 4.350 0.038 0.000 0.189 33 E C 2.188 178.818 176.600 0.051 0.000 0.979 33 E CA 2.375 58.806 56.400 0.052 0.000 0.802 33 E CB 0.073 29.790 29.700 0.029 0.000 0.763 33 E HN -0.590 7.655 8.360 0.076 0.160 0.449 34 L N -3.676 117.580 121.223 0.054 0.000 2.093 34 L HA -0.229 4.087 4.340 -0.040 0.000 0.208 34 L C 2.072 178.892 176.870 -0.084 0.000 1.085 34 L CA 3.252 58.077 54.840 -0.026 0.000 0.755 34 L CB -0.498 41.520 42.059 -0.068 0.000 0.904 34 L HN -0.790 7.496 8.230 0.094 0.000 0.435 35 F N -1.394 118.528 119.950 -0.046 0.000 2.171 35 F HA -0.337 4.163 4.527 -0.045 0.000 0.300 35 F C 2.222 177.999 175.800 -0.038 0.000 1.090 35 F CA 4.268 62.242 58.000 -0.044 0.000 1.293 35 F CB -0.372 38.599 39.000 -0.049 0.000 1.013 35 F HN -0.427 8.087 8.300 0.357 0.000 0.486 36 R N -0.840 119.740 120.500 0.133 0.000 2.091 36 R HA -0.449 3.924 4.340 0.056 0.000 0.238 36 R C 2.117 178.427 176.300 0.017 0.000 1.136 36 R CA 3.556 59.690 56.100 0.057 0.000 0.959 36 R CB -0.259 30.066 30.300 0.041 0.000 0.856 36 R HN -0.376 7.987 8.270 0.155 0.000 0.437 37 R N -1.693 118.806 120.500 -0.002 0.000 2.081 37 R HA -0.280 4.049 4.340 -0.019 0.000 0.235 37 R C 2.610 178.883 176.300 -0.044 0.000 1.131 37 R CA 2.659 58.743 56.100 -0.027 0.000 0.960 37 R CB -0.692 29.586 30.300 -0.037 0.000 0.856 37 R HN -0.347 7.929 8.270 0.010 0.000 0.436 38 N N -0.757 117.900 118.700 -0.072 0.000 2.381 38 N HA -0.207 4.612 4.740 -0.080 -0.127 0.182 38 N C 2.077 177.565 175.510 -0.037 0.000 1.025 38 N CA 3.003 56.003 53.050 -0.083 0.000 0.888 38 N CB -0.060 38.324 38.487 -0.172 0.000 0.965 38 N HN -0.503 7.743 8.380 -0.080 0.086 0.438 39 I N 0.150 120.716 120.570 -0.006 0.000 2.179 39 I HA -0.480 3.691 4.170 0.002 0.000 0.242 39 I C 1.718 177.830 176.117 -0.010 0.000 1.088 39 I CA 4.019 65.320 61.300 0.002 0.000 1.357 39 I CB 0.142 38.151 38.000 0.015 0.000 1.051 39 I HN -0.218 7.895 8.210 0.004 0.098 0.409 40 E N -1.062 119.131 120.200 -0.012 0.000 2.106 40 E HA -0.242 4.100 4.350 -0.012 0.000 0.192 40 E C 1.699 178.287 176.600 -0.019 0.000 0.984 40 E CA 2.286 58.677 56.400 -0.014 0.000 0.806 40 E CB -0.202 29.490 29.700 -0.013 0.000 0.750 40 E HN -0.592 7.761 8.360 -0.012 0.000 0.458 41 E N -2.781 117.403 120.200 -0.025 0.000 2.072 41 E HA -0.157 4.178 4.350 -0.025 0.000 0.191 41 E C 0.452 177.037 176.600 -0.025 0.000 0.985 41 E CA 0.495 56.878 56.400 -0.028 0.000 0.801 41 E CB 0.721 30.397 29.700 -0.039 0.000 0.750 41 E HN -0.616 7.727 8.360 -0.028 0.000 0.452 42 G N 0.008 108.794 108.800 -0.025 0.000 2.871 42 G HA2 -0.258 3.692 3.960 -0.017 0.000 0.262 42 G HA3 -0.258 3.691 3.960 -0.018 0.000 0.262 42 G C 0.275 175.161 174.900 -0.023 0.000 1.126 42 G CA 0.108 45.195 45.100 -0.020 0.000 1.130 42 G HN -0.468 7.807 8.290 -0.025 0.000 0.549 43 T N -1.512 113.027 114.554 -0.027 0.000 2.953 43 T HA -0.099 4.233 4.350 -0.029 0.000 0.247 43 T C 1.060 175.751 174.700 -0.014 0.000 1.029 43 T CA 0.335 62.418 62.100 -0.029 0.000 1.144 43 T CB 1.191 70.028 68.868 -0.051 0.000 0.870 43 T HN -0.373 7.851 8.240 -0.028 0.000 0.446 44 K N -3.189 117.208 120.400 -0.005 0.000 2.614 44 K HA -0.229 4.091 4.320 0.001 0.000 0.420 44 K C 0.656 177.270 176.600 0.024 0.000 0.431 44 K CA 1.188 57.478 56.287 0.005 0.000 1.854 44 K CB -0.961 31.541 32.500 0.004 0.000 0.734 44 K HN 0.048 8.294 8.250 -0.006 0.000 0.397 45 L N -3.095 118.148 121.223 0.032 0.000 2.492 45 L HA 0.166 4.561 4.340 0.092 0.000 0.223 45 L C 0.776 177.734 176.870 0.147 0.000 1.132 45 L CA 1.678 56.566 54.840 0.080 0.000 0.850 45 L CB -0.598 41.503 42.059 0.069 0.000 0.966 45 L HN -0.090 8.089 8.230 0.011 0.057 0.454 46 G N -0.020 108.829 108.800 0.082 0.000 2.453 46 G HA2 -0.285 3.774 3.960 0.165 0.000 0.215 46 G HA3 -0.285 3.702 3.960 0.044 0.000 0.215 46 G C 1.010 176.026 174.900 0.193 0.000 1.201 46 G CA 2.097 47.283 45.100 0.143 0.000 0.784 46 G HN -0.412 7.832 8.290 0.031 0.065 0.545 47 V N 1.290 121.243 119.914 0.066 0.000 2.302 47 V HA -0.341 3.789 4.120 0.017 0.000 0.243 47 V C 1.599 177.647 176.094 -0.077 0.000 1.036 47 V CA 2.652 64.953 62.300 0.002 0.000 1.020 47 V CB -0.265 31.546 31.823 -0.020 0.000 0.657 47 V HN -0.169 8.047 8.190 0.043 0.000 0.453 48 E N -0.390 119.747 120.200 -0.105 0.000 2.047 48 E HA -0.365 3.679 4.350 -0.510 0.000 0.191 48 E C 1.870 178.346 176.600 -0.207 0.000 0.987 48 E CA 3.396 59.624 56.400 -0.286 0.000 0.799 48 E CB -0.383 29.215 29.700 -0.170 0.000 0.752 48 E HN -0.273 8.068 8.360 -0.032 0.000 0.449 49 A N -1.787 121.046 122.820 0.022 0.000 2.014 49 A HA -0.142 4.268 4.320 0.150 0.000 0.218 49 A C 2.016 179.487 177.584 -0.187 0.000 1.163 49 A CA 2.658 54.721 52.037 0.043 0.000 0.652 49 A CB -0.781 18.303 19.000 0.141 0.000 0.808 49 A HN -0.246 7.941 8.150 0.063 0.000 0.449 50 K N -1.056 119.249 120.400 -0.158 0.000 2.062 50 K HA -0.233 3.794 4.320 -0.488 0.000 0.205 50 K C 1.897 178.415 176.600 -0.137 0.000 1.051 50 K CA 2.738 58.888 56.287 -0.228 0.000 0.941 50 K CB -0.221 32.281 32.500 0.004 0.000 0.719 50 K HN -0.419 7.792 8.250 0.003 0.041 0.440 51 R N -1.495 118.926 120.500 -0.131 0.000 2.057 51 R HA -0.247 4.044 4.340 -0.081 0.000 0.229 51 R C 2.541 178.819 176.300 -0.037 0.000 1.136 51 R CA 2.709 58.735 56.100 -0.123 0.000 0.952 51 R CB -0.081 30.095 30.300 -0.207 0.000 0.848 51 R HN -0.634 7.546 8.270 -0.149 0.000 0.430 52 Y N -3.121 117.154 120.300 -0.042 0.000 2.003 52 Y HA -0.332 4.201 4.550 -0.028 0.000 0.261 52 Y C 1.961 177.824 175.900 -0.062 0.000 1.211 52 Y CA 0.937 59.010 58.100 -0.044 0.000 1.098 52 Y CB -1.379 37.059 38.460 -0.037 0.000 0.925 52 Y HN -0.481 7.714 8.280 -0.141 0.000 0.498 53 L N -2.514 118.734 121.223 0.042 0.000 2.187 53 L HA -0.414 3.923 4.340 -0.004 0.000 0.213 53 L C 1.072 177.922 176.870 -0.032 0.000 1.100 53 L CA 2.730 57.544 54.840 -0.043 0.000 0.765 53 L CB -0.309 41.635 42.059 -0.192 0.000 0.904 53 L HN -0.560 7.678 8.230 0.013 0.000 0.437 54 D N -3.037 117.344 120.400 -0.033 0.000 2.262 54 D HA -0.205 4.423 4.640 -0.020 0.000 0.212 54 D C 0.753 177.057 176.300 0.007 0.000 0.964 54 D CA 2.127 56.116 54.000 -0.019 0.000 0.875 54 D CB 0.784 41.563 40.800 -0.034 0.000 0.996 54 D HN -0.251 8.071 8.370 -0.048 0.019 0.497 55 A N -3.649 119.188 122.820 0.028 0.000 2.030 55 A HA -0.060 4.274 4.320 0.024 0.000 0.215 55 A C 0.167 177.788 177.584 0.062 0.000 1.164 55 A CA 0.457 52.520 52.037 0.042 0.000 0.697 55 A CB 0.853 19.879 19.000 0.043 0.000 0.827 55 A HN -0.183 7.867 8.150 0.038 0.123 0.457 56 G N -2.631 106.217 108.800 0.081 0.000 2.141 56 G HA2 -0.321 3.671 3.960 0.053 0.000 0.164 56 G HA3 -0.321 3.776 3.960 0.051 -0.106 0.164 56 G C -2.066 172.863 174.900 0.048 0.000 1.009 56 G CA -0.092 45.044 45.100 0.061 0.000 0.677 56 G HN -0.202 8.152 8.290 0.107 0.000 0.508 57 D N -1.406 119.030 120.400 0.059 0.000 2.463 57 D HA 0.068 4.683 4.640 -0.040 0.000 0.247 57 D C -0.436 175.750 176.300 -0.191 0.000 1.240 57 D CA -0.900 53.066 54.000 -0.056 0.000 1.151 57 D CB 1.620 42.406 40.800 -0.023 0.000 1.180 57 D HN -0.532 7.929 8.370 0.151 0.000 0.532 58 L N 0.301 121.238 121.223 -0.477 0.000 2.319 58 L HA 0.364 4.578 4.340 -0.210 0.000 0.281 58 L C -1.383 175.185 176.870 -0.504 0.000 1.005 58 L CA -0.700 53.906 54.840 -0.389 0.000 0.828 58 L CB 1.874 43.753 42.059 -0.300 0.000 1.227 58 L HN 0.100 7.939 8.230 -0.651 0.000 0.415 59 V N 4.808 124.612 119.914 -0.184 0.000 2.604 59 V HA 0.390 4.512 4.120 0.003 0.000 0.305 59 V C -2.269 173.827 176.094 0.004 0.000 1.043 59 V CA -4.099 58.184 62.300 -0.027 0.000 0.888 59 V CB 2.289 34.154 31.823 0.070 0.000 0.995 59 V HN 0.207 8.326 8.190 -0.117 0.000 0.429 60 P HA 0.254 4.693 4.420 0.031 0.000 0.269 60 P C -0.489 176.856 177.300 0.075 0.000 1.215 60 P CA -0.264 62.864 63.100 0.047 0.000 0.780 60 P CB 0.932 32.665 31.700 0.055 0.000 0.898 61 S N 0.250 116.002 115.700 0.087 0.000 2.425 61 S HA -0.222 4.422 4.470 0.187 -0.061 0.225 61 S C 1.223 175.906 174.600 0.138 0.000 1.024 61 S CA 2.423 60.706 58.200 0.139 0.000 0.951 61 S CB -0.065 63.211 63.200 0.127 0.000 0.796 61 S HN 0.296 8.645 8.310 0.066 0.000 0.498 62 D N 2.104 122.562 120.400 0.095 0.000 2.117 62 D HA -0.224 4.470 4.640 0.090 0.000 0.197 62 D C 1.923 178.266 176.300 0.072 0.000 0.987 62 D CA 3.424 57.471 54.000 0.080 0.000 0.829 62 D CB -0.286 40.548 40.800 0.057 0.000 0.961 62 D HN 0.394 8.812 8.370 0.080 0.000 0.460 63 L N -4.437 116.831 121.223 0.075 0.000 2.042 63 L HA -0.218 4.154 4.340 0.054 0.000 0.210 63 L C 1.741 178.670 176.870 0.099 0.000 1.076 63 L CA 2.882 57.771 54.840 0.082 0.000 0.749 63 L CB -1.215 40.908 42.059 0.107 0.000 0.893 63 L HN -0.224 8.052 8.230 0.078 0.000 0.432 64 T N 1.827 116.433 114.554 0.086 0.000 2.708 64 T HA -0.493 3.927 4.350 0.117 0.000 0.266 64 T C 2.053 176.654 174.700 -0.165 0.000 1.037 64 T CA 4.754 66.823 62.100 -0.052 0.000 1.146 64 T CB -0.698 68.030 68.868 -0.234 0.000 0.865 64 T HN -0.298 7.997 8.240 0.092 0.000 0.435 65 N N 0.163 118.872 118.700 0.015 0.000 2.364 65 N HA -0.260 4.529 4.740 0.082 0.000 0.183 65 N C 2.379 177.901 175.510 0.021 0.000 1.022 65 N CA 3.145 56.244 53.050 0.082 0.000 0.883 65 N CB -0.005 38.586 38.487 0.172 0.000 0.965 65 N HN -0.450 7.986 8.380 0.094 0.000 0.438 66 E N 0.912 121.119 120.200 0.012 0.000 2.046 66 E HA -0.200 4.147 4.350 -0.005 0.000 0.190 66 E C 2.537 179.112 176.600 -0.042 0.000 0.982 66 E CA 2.631 59.026 56.400 -0.008 0.000 0.800 66 E CB -0.124 29.577 29.700 0.002 0.000 0.756 66 E HN -0.493 7.737 8.360 0.027 0.146 0.449 67 L N -0.533 120.653 121.223 -0.062 0.000 2.027 67 L HA -0.327 3.941 4.340 -0.120 0.000 0.206 67 L C 2.209 179.025 176.870 -0.090 0.000 1.074 67 L CA 3.080 57.853 54.840 -0.111 0.000 0.745 67 L CB 0.015 41.945 42.059 -0.215 0.000 0.898 67 L HN -0.223 7.989 8.230 -0.031 0.000 0.433 68 V N -0.931 118.932 119.914 -0.086 0.000 2.255 68 V HA -0.610 3.456 4.120 -0.090 0.000 0.247 68 V C 1.766 177.803 176.094 -0.095 0.000 1.051 68 V CA 4.853 67.094 62.300 -0.097 0.000 1.018 68 V CB -0.417 31.332 31.823 -0.123 0.000 0.641 68 V HN -0.425 7.713 8.190 -0.086 0.000 0.445 69 D N -1.766 118.592 120.400 -0.069 0.000 2.178 69 D HA -0.342 4.246 4.640 -0.087 0.000 0.201 69 D C 1.619 177.890 176.300 -0.048 0.000 0.980 69 D CA 3.309 57.273 54.000 -0.060 0.000 0.842 69 D CB -0.005 40.777 40.800 -0.029 0.000 0.948 69 D HN -0.440 7.792 8.370 -0.050 0.108 0.472 70 D N -0.437 119.934 120.400 -0.049 0.000 2.123 70 D HA -0.221 4.398 4.640 -0.034 0.000 0.196 70 D C 1.962 178.237 176.300 -0.041 0.000 0.992 70 D CA 2.709 56.682 54.000 -0.045 0.000 0.833 70 D CB 0.353 41.119 40.800 -0.057 0.000 0.954 70 D HN -0.595 7.716 8.370 -0.054 0.027 0.455 71 R N -2.979 117.492 120.500 -0.049 0.000 2.240 71 R HA -0.052 4.274 4.340 -0.023 0.000 0.203 71 R C 1.504 177.791 176.300 -0.022 0.000 1.011 71 R CA 1.542 57.622 56.100 -0.033 0.000 1.007 71 R CB 0.559 30.840 30.300 -0.032 0.000 0.911 71 R HN -0.689 7.544 8.270 -0.062 0.000 0.468 72 L N -3.912 117.283 121.223 -0.048 0.000 2.558 72 L HA 0.055 4.405 4.340 0.016 0.000 0.225 72 L C 0.562 177.434 176.870 0.004 0.000 1.128 72 L CA 0.456 55.275 54.840 -0.034 0.000 0.868 72 L CB -0.327 41.644 42.059 -0.146 0.000 1.006 72 L HN -0.504 7.595 8.230 -0.067 0.091 0.454 73 N N 1.499 120.196 118.700 -0.004 0.000 2.926 73 N HA -0.081 4.668 4.740 0.015 0.000 0.284 73 N C -1.072 174.447 175.510 0.015 0.000 1.303 73 N CA 0.559 53.614 53.050 0.007 0.000 1.062 73 N CB -1.705 36.781 38.487 -0.002 0.000 1.389 73 N HN -0.395 7.973 8.380 -0.019 0.000 0.538 74 N N -2.144 116.574 118.700 0.029 0.000 2.413 74 N HA -0.201 4.649 4.740 0.055 -0.077 0.282 74 N C -2.042 173.486 175.510 0.031 0.000 1.368 74 N CA 0.169 53.242 53.050 0.038 0.000 0.627 74 N CB -0.311 38.198 38.487 0.036 0.000 0.899 74 N HN -0.651 7.545 8.380 0.033 0.203 0.517 75 P HA 0.213 4.647 4.420 0.024 0.000 0.243 75 P C -1.421 175.899 177.300 0.033 0.000 1.668 75 P CA -0.017 63.102 63.100 0.031 0.000 0.898 75 P CB -0.111 31.609 31.700 0.034 0.000 1.637 76 D N -3.856 116.564 120.400 0.034 0.000 2.870 76 D HA -0.423 4.435 4.640 0.036 -0.197 0.228 76 D C 0.105 176.437 176.300 0.053 0.000 1.147 76 D CA 1.070 55.092 54.000 0.037 0.000 0.757 76 D CB -1.439 39.377 40.800 0.027 0.000 1.091 76 D HN 0.153 8.391 8.370 0.034 0.152 0.429 77 A N -6.311 116.554 122.820 0.076 0.000 3.132 77 A HA -0.489 3.917 4.320 0.144 0.000 0.266 77 A C 0.176 177.815 177.584 0.092 0.000 1.216 77 A CA 1.488 53.595 52.037 0.118 0.000 0.985 77 A CB -0.938 18.154 19.000 0.154 0.000 1.102 77 A HN 0.433 8.609 8.150 0.069 0.016 0.833 78 A N -4.005 118.850 122.820 0.059 0.000 2.771 78 A HA -0.398 3.942 4.320 0.034 0.000 0.294 78 A C -0.684 176.919 177.584 0.031 0.000 1.500 78 A CA 0.749 52.812 52.037 0.044 0.000 0.829 78 A CB -1.635 17.394 19.000 0.047 0.000 0.998 78 A HN -0.420 7.565 8.150 0.052 0.196 0.526 79 N N -6.624 112.091 118.700 0.024 0.000 2.714 79 N HA -0.440 4.300 4.740 0.001 0.000 0.250 79 N C -1.070 174.424 175.510 -0.027 0.000 1.117 79 N CA 1.660 54.711 53.050 0.002 0.000 0.719 79 N CB -0.742 37.743 38.487 -0.002 0.000 1.081 79 N HN -0.133 8.251 8.380 0.032 0.015 0.557 80 G N -4.659 104.130 108.800 -0.019 0.000 2.323 80 G HA2 0.092 3.898 3.960 -0.256 0.000 0.291 80 G HA3 0.092 4.006 3.960 -0.077 0.000 0.291 80 G C -3.351 171.555 174.900 0.011 0.000 1.278 80 G CA -0.007 45.030 45.100 -0.106 0.000 0.860 80 G HN -0.198 7.993 8.290 0.042 0.125 0.504 81 F N -6.886 113.084 119.950 0.033 0.000 2.662 81 F HA 0.210 4.756 4.527 0.033 0.000 0.319 81 F C -2.705 173.119 175.800 0.040 0.000 1.079 81 F CA -1.495 56.527 58.000 0.036 0.000 1.062 81 F CB 0.683 39.707 39.000 0.040 0.000 1.299 81 F HN -0.271 7.909 8.300 -0.199 0.000 0.487 82 I N 2.061 122.782 120.570 0.251 0.000 2.359 82 I HA 0.363 4.862 4.170 0.176 -0.223 0.284 82 I C -1.017 175.206 176.117 0.177 0.000 1.018 82 I CA -1.103 60.304 61.300 0.178 0.000 1.173 82 I CB 1.444 39.505 38.000 0.103 0.000 1.326 82 I HN 0.379 8.720 8.210 0.219 0.000 0.462 83 L N 7.755 129.097 121.223 0.198 0.000 2.262 83 L HA 0.592 5.210 4.340 0.111 -0.211 0.288 83 L C -1.200 175.725 176.870 0.092 0.000 1.035 83 L CA -1.485 53.440 54.840 0.142 0.000 0.820 83 L CB 0.691 42.852 42.059 0.170 0.000 1.204 83 L HN 0.195 8.584 8.230 0.265 0.000 0.424 84 D N 3.124 123.557 120.400 0.055 0.000 2.233 84 D HA 0.249 5.024 4.640 0.003 -0.133 0.240 84 D C 0.617 176.931 176.300 0.024 0.000 1.074 84 D CA -1.175 52.834 54.000 0.014 0.000 0.838 84 D CB 2.308 43.095 40.800 -0.023 0.000 1.124 84 D HN 0.140 8.542 8.370 0.055 0.000 0.475 85 G N 7.028 115.839 108.800 0.018 0.000 2.198 85 G HA2 -0.401 3.565 3.960 0.011 0.000 0.257 85 G HA3 -0.401 3.565 3.960 0.010 0.000 0.257 85 G C -1.050 173.905 174.900 0.092 0.000 1.042 85 G CA 1.097 46.214 45.100 0.027 0.000 0.791 85 G HN 0.289 8.578 8.290 -0.002 0.000 0.502 86 Y N 0.604 120.879 120.300 -0.042 0.000 2.239 86 Y HA 0.226 4.751 4.550 -0.043 0.000 0.293 86 Y C -1.048 174.826 175.900 -0.043 0.000 1.126 86 Y CA -1.164 56.914 58.100 -0.037 0.000 1.128 86 Y CB -1.142 37.306 38.460 -0.019 0.000 1.066 86 Y HN 0.137 8.495 8.280 0.129 0.000 0.516 87 P HA -0.029 4.280 4.420 -0.184 0.000 0.235 87 P C -0.623 176.623 177.300 -0.090 0.000 1.720 87 P CA -0.003 62.985 63.100 -0.186 0.000 1.003 87 P CB -2.115 29.341 31.700 -0.406 0.000 1.968 88 R N 1.090 121.587 120.500 -0.005 0.000 2.115 88 R HA -0.186 4.175 4.340 0.035 0.000 0.230 88 R C -0.689 175.629 176.300 0.030 0.000 1.111 88 R CA 2.022 58.138 56.100 0.027 0.000 0.976 88 R CB 0.603 30.932 30.300 0.049 0.000 0.870 88 R HN 0.041 8.237 8.270 0.031 0.092 0.445 89 S N -3.826 111.886 115.700 0.021 0.000 2.603 89 S HA 0.217 4.694 4.470 0.012 0.000 0.274 89 S C -0.094 174.526 174.600 0.033 0.000 1.168 89 S CA -1.370 56.842 58.200 0.021 0.000 0.963 89 S CB 2.078 65.290 63.200 0.019 0.000 1.078 89 S HN -0.609 7.659 8.310 0.009 0.047 0.477 90 V N 7.804 127.744 119.914 0.044 0.000 2.594 90 V HA -0.256 3.970 4.120 0.177 0.000 0.253 90 V C 0.845 176.950 176.094 0.018 0.000 1.069 90 V CA 2.605 64.949 62.300 0.074 0.000 1.082 90 V CB 0.168 32.014 31.823 0.038 0.000 0.680 90 V HN 0.613 8.817 8.190 0.024 0.000 0.469 91 E N -0.921 119.276 120.200 -0.006 0.000 2.118 91 E HA -0.367 3.973 4.350 -0.017 0.000 0.195 91 E C 2.076 178.686 176.600 0.017 0.000 0.992 91 E CA 3.066 59.463 56.400 -0.005 0.000 0.804 91 E CB -0.458 29.234 29.700 -0.013 0.000 0.741 91 E HN -0.459 8.151 8.360 -0.014 -0.258 0.458 92 Q N -2.190 117.625 119.800 0.025 0.000 2.049 92 Q HA -0.160 4.224 4.340 0.072 0.000 0.198 92 Q C 2.464 178.427 176.000 -0.061 0.000 0.971 92 Q CA 2.137 57.958 55.803 0.029 0.000 0.833 92 Q CB 0.051 28.831 28.738 0.071 0.000 0.896 92 Q HN -0.624 7.660 8.270 0.023 0.000 0.434 93 A N 0.273 123.064 122.820 -0.049 0.000 1.969 93 A HA -0.256 3.914 4.320 -0.251 0.000 0.218 93 A C 1.648 179.357 177.584 0.207 0.000 1.169 93 A CA 2.733 54.765 52.037 -0.009 0.000 0.635 93 A CB -0.769 18.307 19.000 0.126 0.000 0.810 93 A HN -0.264 7.881 8.150 -0.008 0.000 0.445 94 K N -1.206 119.325 120.400 0.218 0.000 2.152 94 K HA -0.318 4.295 4.320 0.488 0.000 0.206 94 K C 1.681 178.388 176.600 0.178 0.000 1.048 94 K CA 3.086 59.523 56.287 0.249 0.000 0.933 94 K CB -0.092 32.448 32.500 0.067 0.000 0.721 94 K HN -0.067 8.257 8.250 0.124 0.000 0.447 95 A N -1.019 121.854 122.820 0.089 0.000 1.898 95 A HA -0.210 4.277 4.320 0.077 -0.120 0.216 95 A C 2.023 179.639 177.584 0.054 0.000 1.181 95 A CA 2.726 54.805 52.037 0.069 0.000 0.620 95 A CB -0.677 18.366 19.000 0.072 0.000 0.819 95 A HN -0.530 7.508 8.150 0.060 0.148 0.442 96 L N -1.332 119.880 121.223 -0.019 0.000 2.083 96 L HA -0.420 3.929 4.340 0.015 0.000 0.209 96 L C 1.134 178.054 176.870 0.084 0.000 1.083 96 L CA 2.796 57.623 54.840 -0.021 0.000 0.752 96 L CB -0.577 41.339 42.059 -0.240 0.000 0.899 96 L HN -0.702 7.477 8.230 -0.085 0.000 0.433 97 H N 0.270 119.392 119.070 0.086 0.000 2.293 97 H HA -0.469 4.127 4.556 0.066 0.000 0.300 97 H C 1.984 177.356 175.328 0.073 0.000 1.082 97 H CA 4.431 60.532 56.048 0.087 0.000 1.308 97 H CB 0.385 30.211 29.762 0.106 0.000 1.375 97 H HN -0.123 8.313 8.280 0.261 0.000 0.495 98 E N -1.782 118.413 120.200 -0.008 0.000 2.187 98 E HA -0.366 3.947 4.350 -0.062 0.000 0.199 98 E C 2.678 179.256 176.600 -0.037 0.000 1.004 98 E CA 2.709 59.093 56.400 -0.026 0.000 0.813 98 E CB -0.201 29.527 29.700 0.047 0.000 0.736 98 E HN -0.343 8.114 8.360 0.161 0.000 0.468 99 M N -2.977 116.618 119.600 -0.009 0.000 2.394 99 M HA -0.073 4.471 4.480 0.005 -0.061 0.266 99 M C 2.279 178.586 176.300 0.011 0.000 1.098 99 M CA 0.747 56.051 55.300 0.007 0.000 1.149 99 M CB -0.285 32.334 32.600 0.031 0.000 1.369 99 M HN -0.514 7.669 8.290 0.013 0.115 0.450 100 L N 2.170 123.397 121.223 0.008 0.000 2.005 100 L HA -0.113 4.302 4.340 0.124 0.000 0.207 100 L C 2.359 179.213 176.870 -0.026 0.000 1.072 100 L CA 3.142 58.008 54.840 0.044 0.000 0.744 100 L CB -0.168 41.937 42.059 0.076 0.000 0.895 100 L HN -0.025 8.201 8.230 -0.007 0.000 0.433 101 E N -2.868 117.249 120.200 -0.139 0.000 2.033 101 E HA -0.207 4.098 4.350 -0.075 0.000 0.189 101 E C 2.974 179.532 176.600 -0.071 0.000 0.979 101 E CA 2.466 58.789 56.400 -0.129 0.000 0.802 101 E CB -0.528 29.031 29.700 -0.236 0.000 0.763 101 E HN -0.334 7.884 8.360 -0.235 0.000 0.449 102 R N -0.786 119.670 120.500 -0.073 0.000 2.075 102 R HA -0.200 4.126 4.340 -0.023 0.000 0.232 102 R C 2.318 178.613 176.300 -0.008 0.000 1.126 102 R CA 2.265 58.347 56.100 -0.030 0.000 0.963 102 R CB 0.025 30.311 30.300 -0.023 0.000 0.858 102 R HN -0.537 7.577 8.270 -0.110 0.090 0.435 103 R N -2.175 118.325 120.500 -0.001 0.000 2.082 103 R HA -0.202 4.148 4.340 0.016 0.000 0.234 103 R C 0.648 176.962 176.300 0.023 0.000 1.136 103 R CA 1.726 57.836 56.100 0.017 0.000 0.935 103 R CB 0.388 30.705 30.300 0.028 0.000 0.842 103 R HN -0.471 7.678 8.270 -0.011 0.114 0.430 104 G N -1.221 107.595 108.800 0.026 0.000 2.337 104 G HA2 -0.217 3.895 3.960 0.010 0.000 0.134 104 G HA3 -0.217 3.755 3.960 0.019 0.000 0.134 104 G C -1.068 173.860 174.900 0.047 0.000 1.052 104 G CA -0.591 44.524 45.100 0.025 0.000 0.737 104 G HN -0.438 7.777 8.290 0.028 0.091 0.485 105 T N -0.945 113.657 114.554 0.080 0.000 2.867 105 T HA 0.157 4.556 4.350 0.081 0.000 0.282 105 T C -0.166 174.568 174.700 0.056 0.000 1.000 105 T CA -1.969 60.197 62.100 0.109 0.000 1.042 105 T CB 1.882 70.912 68.868 0.271 0.000 0.973 105 T HN -0.390 7.806 8.240 0.080 0.092 0.465 106 D N 3.244 123.644 120.400 -0.000 0.000 2.425 106 D HA -0.000 4.635 4.640 -0.007 0.000 0.247 106 D C -0.410 175.865 176.300 -0.040 0.000 1.147 106 D CA 0.934 54.919 54.000 -0.026 0.000 0.879 106 D CB 0.959 41.733 40.800 -0.042 0.000 1.179 106 D HN 0.265 8.635 8.370 0.001 0.000 0.456 107 I N 4.028 124.594 120.570 -0.008 0.000 2.329 107 I HA -0.071 4.109 4.170 0.016 0.000 0.295 107 I C -0.835 175.276 176.117 -0.010 0.000 1.109 107 I CA -0.334 60.971 61.300 0.009 0.000 1.297 107 I CB -0.359 37.666 38.000 0.043 0.000 1.433 107 I HN 0.294 8.502 8.210 -0.003 0.000 0.509 108 D N 10.042 130.424 120.400 -0.031 0.000 2.628 108 D HA -0.018 4.611 4.640 -0.018 0.000 0.258 108 D C -0.877 175.424 176.300 0.001 0.000 1.165 108 D CA 0.933 54.918 54.000 -0.026 0.000 0.991 108 D CB 2.607 43.378 40.800 -0.049 0.000 1.104 108 D HN 0.040 8.378 8.370 -0.054 0.000 0.438 109 A N -2.307 120.520 122.820 0.011 0.000 2.408 109 A HA 0.350 4.694 4.320 0.041 0.000 0.295 109 A C -2.348 175.274 177.584 0.063 0.000 1.040 109 A CA -0.663 51.398 52.037 0.039 0.000 0.707 109 A CB 2.755 21.779 19.000 0.040 0.000 1.235 109 A HN -0.216 7.928 8.150 -0.009 0.000 0.418 110 V N 5.642 125.603 119.914 0.078 0.000 2.353 110 V HA 0.265 4.600 4.120 0.064 -0.177 0.264 110 V C -1.119 175.032 176.094 0.094 0.000 1.049 110 V CA -0.471 61.878 62.300 0.082 0.000 0.896 110 V CB 0.221 32.115 31.823 0.118 0.000 1.025 110 V HN 0.589 8.825 8.190 0.076 0.000 0.475 111 L N 8.199 129.491 121.223 0.115 0.000 2.264 111 L HA 0.534 5.189 4.340 0.156 -0.221 0.287 111 L C -1.259 175.761 176.870 0.251 0.000 1.039 111 L CA -1.487 53.470 54.840 0.194 0.000 0.829 111 L CB 0.505 42.737 42.059 0.289 0.000 1.211 111 L HN 0.398 8.684 8.230 0.093 0.000 0.427 112 E N 4.452 124.783 120.200 0.217 0.000 2.146 112 E HA 0.270 4.834 4.350 0.218 -0.083 0.282 112 E C -1.321 175.463 176.600 0.306 0.000 0.989 112 E CA -1.789 54.748 56.400 0.228 0.000 0.799 112 E CB 2.334 32.118 29.700 0.139 0.000 1.088 112 E HN 0.057 8.511 8.360 0.156 0.000 0.397 113 F N 6.073 126.043 119.950 0.034 0.000 2.411 113 F HA 0.364 5.098 4.527 0.033 -0.187 0.355 113 F C 0.463 176.284 175.800 0.035 0.000 1.117 113 F CA -1.120 56.900 58.000 0.034 0.000 1.139 113 F CB 0.831 39.851 39.000 0.034 0.000 1.120 113 F HN 0.255 8.841 8.300 0.477 0.000 0.493 114 R N 6.545 127.124 120.500 0.132 0.000 2.325 114 R HA 0.122 4.520 4.340 0.097 0.000 0.323 114 R C -2.410 173.943 176.300 0.089 0.000 1.177 114 R CA -0.521 55.632 56.100 0.087 0.000 1.018 114 R CB -0.462 29.860 30.300 0.036 0.000 1.070 114 R HN 0.847 9.148 8.270 0.052 0.000 0.495 115 V N 5.553 125.530 119.914 0.104 0.000 2.760 115 V HA 0.514 4.857 4.120 0.083 -0.174 0.309 115 V C -1.234 174.896 176.094 0.059 0.000 1.077 115 V CA -1.849 60.508 62.300 0.095 0.000 0.910 115 V CB 3.881 35.786 31.823 0.136 0.000 1.008 115 V HN -0.413 7.843 8.190 0.110 0.000 0.424 116 S N 7.423 123.149 115.700 0.043 0.000 2.513 116 S HA 0.300 4.784 4.470 0.024 0.000 0.276 116 S C 0.753 175.361 174.600 0.013 0.000 1.254 116 S CA -0.425 57.790 58.200 0.025 0.000 1.053 116 S CB 0.743 63.956 63.200 0.022 0.000 0.958 116 S HN 0.417 8.756 8.310 0.049 0.000 0.491 117 E N 5.188 125.388 120.200 -0.000 0.000 2.204 117 E HA -0.363 4.011 4.350 -0.018 -0.035 0.195 117 E C 1.098 177.691 176.600 -0.011 0.000 0.990 117 E CA 2.808 59.199 56.400 -0.016 0.000 0.821 117 E CB -0.381 29.298 29.700 -0.036 0.000 0.750 117 E HN 0.658 9.020 8.360 0.003 0.000 0.477 118 E N -0.658 119.540 120.200 -0.004 0.000 2.153 118 E HA -0.274 4.073 4.350 -0.006 0.000 0.194 118 E C 1.326 177.926 176.600 -0.000 0.000 0.988 118 E CA 2.546 58.945 56.400 -0.002 0.000 0.811 118 E CB -0.292 29.408 29.700 0.001 0.000 0.746 118 E HN 0.004 8.318 8.360 0.000 0.046 0.466 119 V N 0.291 120.208 119.914 0.004 0.000 2.255 119 V HA -0.360 3.763 4.120 0.006 0.000 0.247 119 V C 1.855 177.950 176.094 0.001 0.000 1.051 119 V CA 3.769 66.073 62.300 0.006 0.000 1.018 119 V CB -0.299 31.532 31.823 0.013 0.000 0.641 119 V HN -0.745 7.423 8.190 0.006 0.026 0.445 120 L N -1.356 119.866 121.223 -0.002 0.000 2.109 120 L HA -0.219 4.118 4.340 -0.005 0.000 0.207 120 L C 1.776 178.640 176.870 -0.009 0.000 1.086 120 L CA 2.944 57.780 54.840 -0.007 0.000 0.760 120 L CB -0.064 41.989 42.059 -0.010 0.000 0.910 120 L HN -0.705 7.524 8.230 -0.001 0.000 0.437 121 L N -1.401 119.815 121.223 -0.011 0.000 2.079 121 L HA -0.430 3.903 4.340 -0.012 0.000 0.210 121 L C 2.378 179.244 176.870 -0.007 0.000 1.081 121 L CA 3.455 58.289 54.840 -0.011 0.000 0.752 121 L CB -1.144 40.907 42.059 -0.013 0.000 0.896 121 L HN -0.385 7.838 8.230 -0.011 0.000 0.433 122 E N -1.560 118.638 120.200 -0.004 0.000 2.072 122 E HA -0.327 4.022 4.350 -0.003 0.000 0.191 122 E C 2.897 179.496 176.600 -0.003 0.000 0.985 122 E CA 2.830 59.228 56.400 -0.002 0.000 0.801 122 E CB -0.575 29.125 29.700 -0.000 0.000 0.750 122 E HN -0.080 8.278 8.360 -0.004 0.000 0.452 123 R N 0.164 120.662 120.500 -0.003 0.000 2.096 123 R HA -0.327 4.012 4.340 -0.003 0.000 0.240 123 R C 2.464 178.761 176.300 -0.005 0.000 1.139 123 R CA 2.923 59.021 56.100 -0.004 0.000 0.952 123 R CB -0.090 30.208 30.300 -0.004 0.000 0.854 123 R HN -0.604 7.664 8.270 -0.003 0.000 0.436 124 L N -2.402 118.817 121.223 -0.006 0.000 1.955 124 L HA -0.359 3.977 4.340 -0.007 0.000 0.213 124 L C 1.710 178.577 176.870 -0.005 0.000 1.072 124 L CA 2.936 57.772 54.840 -0.007 0.000 0.755 124 L CB -0.091 41.963 42.059 -0.009 0.000 0.888 124 L HN -0.254 7.972 8.230 -0.007 0.000 0.432 125 K N -3.218 117.179 120.400 -0.005 0.000 2.005 125 K HA -0.224 4.093 4.320 -0.004 0.000 0.206 125 K C 2.134 178.732 176.600 -0.003 0.000 1.044 125 K CA 1.921 58.206 56.287 -0.004 0.000 0.942 125 K CB 0.256 32.754 32.500 -0.004 0.000 0.727 125 K HN -0.329 7.917 8.250 -0.006 0.000 0.439 126 G N -3.337 105.461 108.800 -0.003 0.000 2.450 126 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.220 126 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.220 126 G C 1.006 175.905 174.900 -0.002 0.000 1.130 126 G CA 1.353 46.452 45.100 -0.002 0.000 0.760 126 G HN -0.342 7.947 8.290 -0.003 0.000 0.557 127 R N -0.251 120.248 120.500 -0.002 0.000 2.054 127 R HA -0.071 4.268 4.340 -0.002 0.000 0.223 127 R C 0.741 177.039 176.300 -0.002 0.000 1.176 127 R CA 1.670 57.769 56.100 -0.002 0.000 0.934 127 R CB 0.347 30.645 30.300 -0.003 0.000 0.828 127 R HN -0.361 7.908 8.270 -0.003 0.000 0.441 128 G N -4.275 104.523 108.800 -0.003 0.000 3.611 128 G HA2 0.122 4.081 3.960 -0.003 0.000 0.207 128 G HA3 0.122 4.081 3.960 -0.003 0.000 0.207 128 G C -1.164 173.734 174.900 -0.003 0.000 1.548 128 G CA 0.484 45.583 45.100 -0.003 0.000 0.855 128 G HN -0.075 8.213 8.290 -0.003 0.000 0.804 129 R N -1.354 119.143 120.500 -0.004 0.000 1.224 129 R HA -0.098 4.239 4.340 -0.005 0.000 0.422 129 R C -1.302 174.995 176.300 -0.005 0.000 1.204 129 R CA 0.145 56.242 56.100 -0.005 0.000 0.583 129 R CB -2.013 28.284 30.300 -0.004 0.000 2.403 129 R HN 0.036 8.303 8.270 -0.004 0.000 0.511 130 A N 4.456 127.273 122.820 -0.005 0.000 2.640 130 A HA 0.036 4.353 4.320 -0.005 0.000 0.282 130 A C -0.601 176.980 177.584 -0.006 0.000 1.357 130 A CA -0.243 51.791 52.037 -0.005 0.000 0.946 130 A CB 0.094 19.090 19.000 -0.006 0.000 1.065 130 A HN 0.377 8.523 8.150 -0.006 0.000 0.541 131 D N -1.003 119.394 120.400 -0.005 0.000 2.735 131 D HA -0.184 4.453 4.640 -0.005 0.000 0.235 131 D C -1.213 175.083 176.300 -0.006 0.000 1.175 131 D CA 0.933 54.929 54.000 -0.005 0.000 0.683 131 D CB -0.513 40.284 40.800 -0.005 0.000 1.008 131 D HN -0.004 8.281 8.370 -0.005 0.083 0.416 132 D N -0.286 120.110 120.400 -0.007 0.000 2.522 132 D HA -0.005 4.630 4.640 -0.008 0.000 0.218 132 D C -0.600 175.695 176.300 -0.008 0.000 1.149 132 D CA -0.305 53.690 54.000 -0.008 0.000 0.981 132 D CB -0.415 40.380 40.800 -0.009 0.000 1.041 132 D HN -0.069 8.297 8.370 -0.007 0.000 0.518 133 T N 2.782 117.332 114.554 -0.006 0.000 2.928 133 T HA -0.117 4.230 4.350 -0.005 0.000 0.305 133 T C 0.592 175.289 174.700 -0.004 0.000 1.035 133 T CA 0.603 62.700 62.100 -0.004 0.000 1.145 133 T CB 1.502 70.369 68.868 -0.003 0.000 0.963 133 T HN -0.449 7.775 8.240 -0.006 0.012 0.545 134 D N 7.459 127.856 120.400 -0.005 0.000 2.203 134 D HA -0.360 4.275 4.640 -0.008 0.000 0.199 134 D C 1.231 177.530 176.300 -0.002 0.000 0.997 134 D CA 3.505 57.502 54.000 -0.005 0.000 0.863 134 D CB 0.360 41.157 40.800 -0.005 0.000 0.928 134 D HN 0.592 8.960 8.370 -0.005 0.000 0.458 135 D N -1.541 118.859 120.400 0.001 0.000 2.144 135 D HA -0.181 4.462 4.640 0.005 0.000 0.200 135 D C 2.248 178.553 176.300 0.009 0.000 0.978 135 D CA 3.053 57.056 54.000 0.005 0.000 0.833 135 D CB 0.249 41.053 40.800 0.007 0.000 0.961 135 D HN -0.670 7.673 8.370 0.001 0.027 0.470 136 V N -0.377 119.541 119.914 0.007 0.000 2.427 136 V HA -0.390 3.740 4.120 0.018 0.000 0.248 136 V C 1.958 178.055 176.094 0.005 0.000 1.051 136 V CA 3.515 65.821 62.300 0.010 0.000 1.048 136 V CB -0.394 31.432 31.823 0.006 0.000 0.666 136 V HN -0.687 7.505 8.190 0.004 0.000 0.456 137 I N -0.411 120.156 120.570 -0.004 0.000 2.226 137 I HA -0.485 3.675 4.170 -0.017 0.000 0.245 137 I C 2.031 178.141 176.117 -0.011 0.000 1.100 137 I CA 3.816 65.108 61.300 -0.013 0.000 1.374 137 I CB -0.443 37.545 38.000 -0.020 0.000 1.057 137 I HN -0.640 7.537 8.210 -0.003 0.032 0.413 138 L N -1.583 119.638 121.223 -0.003 0.000 2.083 138 L HA -0.512 3.828 4.340 0.000 0.000 0.209 138 L C 2.039 178.918 176.870 0.015 0.000 1.083 138 L CA 3.405 58.247 54.840 0.004 0.000 0.752 138 L CB -0.826 41.236 42.059 0.006 0.000 0.899 138 L HN -0.343 7.799 8.230 -0.001 0.088 0.433 139 N N -1.461 117.250 118.700 0.019 0.000 2.166 139 N HA -0.380 4.377 4.740 0.029 0.000 0.186 139 N C 2.057 177.588 175.510 0.035 0.000 1.019 139 N CA 3.314 56.381 53.050 0.029 0.000 0.856 139 N CB 0.192 38.700 38.487 0.035 0.000 0.993 139 N HN -0.316 8.073 8.380 0.015 0.000 0.426 140 R N -1.394 119.122 120.500 0.028 0.000 2.096 140 R HA -0.279 4.090 4.340 0.048 0.000 0.235 140 R C 2.205 178.535 176.300 0.049 0.000 1.127 140 R CA 2.120 58.240 56.100 0.033 0.000 0.968 140 R CB -0.724 29.580 30.300 0.007 0.000 0.861 140 R HN -0.343 7.937 8.270 0.017 0.000 0.440 141 M N 0.094 119.708 119.600 0.024 0.000 2.296 141 M HA -0.271 4.244 4.480 0.059 0.000 0.265 141 M C 1.386 177.749 176.300 0.104 0.000 1.064 141 M CA 1.724 57.055 55.300 0.051 0.000 1.109 141 M CB -0.786 31.816 32.600 0.003 0.000 1.396 141 M HN -0.230 7.980 8.290 0.010 0.086 0.430 142 K N -0.224 120.217 120.400 0.068 0.000 2.002 142 K HA -0.362 3.990 4.320 0.055 0.000 0.209 142 K C 2.415 179.053 176.600 0.063 0.000 1.048 142 K CA 3.580 59.902 56.287 0.057 0.000 0.930 142 K CB -0.348 32.172 32.500 0.034 0.000 0.714 142 K HN -0.482 7.708 8.250 0.049 0.089 0.438 143 V N 0.087 120.041 119.914 0.067 0.000 2.490 143 V HA -0.388 3.974 4.120 0.033 -0.222 0.250 143 V C 1.448 177.601 176.094 0.098 0.000 1.061 143 V CA 2.764 65.102 62.300 0.062 0.000 1.064 143 V CB 0.097 31.950 31.823 0.049 0.000 0.670 143 V HN -0.603 7.626 8.190 0.066 0.000 0.461 144 Y N 0.102 120.405 120.300 0.006 0.000 2.114 144 Y HA -0.440 4.118 4.550 0.013 0.000 0.282 144 Y C 1.993 177.898 175.900 0.009 0.000 1.165 144 Y CA 3.672 61.778 58.100 0.010 0.000 1.148 144 Y CB 0.002 38.469 38.460 0.011 0.000 0.972 144 Y HN -0.527 7.891 8.280 0.229 0.000 0.504 145 R N -2.284 118.288 120.500 0.120 0.000 2.105 145 R HA -0.424 3.931 4.340 0.025 0.000 0.239 145 R C 1.627 177.916 176.300 -0.018 0.000 1.135 145 R CA 3.082 59.204 56.100 0.037 0.000 0.967 145 R CB -0.261 30.078 30.300 0.064 0.000 0.861 145 R HN -0.471 7.916 8.270 0.194 0.000 0.442 146 D N -2.336 118.056 120.400 -0.013 0.000 2.182 146 D HA -0.148 4.478 4.640 -0.022 0.000 0.201 146 D C 1.210 177.480 176.300 -0.049 0.000 0.986 146 D CA 2.519 56.503 54.000 -0.027 0.000 0.847 146 D CB 0.004 40.792 40.800 -0.019 0.000 0.942 146 D HN -0.510 7.867 8.370 0.012 0.000 0.467 147 E N -3.594 116.562 120.200 -0.074 0.000 2.505 147 E HA 0.277 4.585 4.350 -0.070 0.000 0.212 147 E C 1.613 178.141 176.600 -0.121 0.000 0.825 147 E CA 0.363 56.713 56.400 -0.082 0.000 1.333 147 E CB 1.605 31.272 29.700 -0.055 0.000 1.319 147 E HN -0.520 7.768 8.360 -0.075 0.027 0.658 148 T N 3.160 117.578 114.554 -0.227 0.000 2.760 148 T HA -0.448 3.749 4.350 -0.256 0.000 0.269 148 T C 1.052 175.657 174.700 -0.158 0.000 1.047 148 T CA 4.756 66.675 62.100 -0.302 0.000 1.139 148 T CB -0.151 68.301 68.868 -0.693 0.000 0.855 148 T HN -0.240 7.840 8.240 -0.266 0.000 0.471 149 A N 1.132 123.883 122.820 -0.115 0.000 1.832 149 A HA -0.013 4.273 4.320 -0.056 0.000 0.214 149 A C -1.167 176.385 177.584 -0.053 0.000 1.200 149 A CA 3.979 55.976 52.037 -0.067 0.000 0.610 149 A CB -2.340 16.627 19.000 -0.055 0.000 0.842 149 A HN 0.351 8.393 8.150 -0.126 0.032 0.444 150 P HA -0.231 4.148 4.420 -0.069 0.000 0.218 150 P C 1.183 178.454 177.300 -0.048 0.000 1.148 150 P CA 2.504 65.562 63.100 -0.070 0.000 0.822 150 P CB -0.400 31.244 31.700 -0.094 0.000 0.784 151 L N -1.825 119.395 121.223 -0.006 0.000 1.994 151 L HA -0.228 4.221 4.340 0.182 0.000 0.208 151 L C 1.425 178.373 176.870 0.130 0.000 1.071 151 L CA 3.140 58.045 54.840 0.108 0.000 0.745 151 L CB -0.731 41.376 42.059 0.081 0.000 0.892 151 L HN 0.167 8.326 8.230 -0.037 0.049 0.431 152 L N -3.789 117.465 121.223 0.053 0.000 2.265 152 L HA -0.215 4.183 4.340 0.096 0.000 0.215 152 L C 2.224 179.112 176.870 0.030 0.000 1.117 152 L CA 2.738 57.608 54.840 0.050 0.000 0.782 152 L CB -1.210 40.861 42.059 0.021 0.000 0.914 152 L HN -0.415 7.819 8.230 0.007 0.000 0.441 153 E N 0.089 120.294 120.200 0.008 0.000 2.028 153 E HA -0.365 3.981 4.350 -0.006 0.000 0.190 153 E C 2.092 178.690 176.600 -0.004 0.000 0.984 153 E CA 2.980 59.377 56.400 -0.005 0.000 0.800 153 E CB -0.094 29.593 29.700 -0.020 0.000 0.758 153 E HN -0.495 7.844 8.360 0.000 0.021 0.448 154 Y N 0.828 120.992 120.300 -0.227 0.000 2.114 154 Y HA -0.395 3.936 4.550 -0.366 0.000 0.284 154 Y C 2.363 177.911 175.900 -0.586 0.000 1.143 154 Y CA 3.497 61.331 58.100 -0.444 0.000 1.135 154 Y CB 0.326 38.468 38.460 -0.531 0.000 0.980 154 Y HN -0.651 7.655 8.280 0.044 0.000 0.499 155 Y N -4.834 115.483 120.300 0.029 0.000 2.475 155 Y HA -0.150 4.322 4.550 -0.130 0.000 0.289 155 Y C 1.977 177.862 175.900 -0.025 0.000 1.121 155 Y CA 3.104 61.176 58.100 -0.046 0.000 1.257 155 Y CB -0.639 37.815 38.460 -0.009 0.000 1.026 155 Y HN 0.297 8.517 8.280 -0.100 0.000 0.555 156 R N -0.476 120.055 120.500 0.051 0.000 2.096 156 R HA -0.247 4.126 4.340 0.054 0.000 0.235 156 R C 1.442 177.740 176.300 -0.003 0.000 1.127 156 R CA 2.457 58.576 56.100 0.032 0.000 0.968 156 R CB -0.659 29.657 30.300 0.027 0.000 0.861 156 R HN -0.315 7.882 8.270 0.033 0.092 0.440 157 D N -2.156 118.220 120.400 -0.041 0.000 2.144 157 D HA -0.145 4.475 4.640 -0.032 0.000 0.200 157 D C 1.660 177.921 176.300 -0.066 0.000 0.978 157 D CA 2.324 56.291 54.000 -0.055 0.000 0.833 157 D CB 0.295 41.053 40.800 -0.070 0.000 0.961 157 D HN -0.579 7.757 8.370 -0.058 0.000 0.470 158 Q N -2.763 116.976 119.800 -0.102 0.000 2.269 158 Q HA -0.089 4.210 4.340 -0.067 0.000 0.201 158 Q C 1.068 177.077 176.000 0.015 0.000 0.946 158 Q CA 1.114 56.876 55.803 -0.069 0.000 0.877 158 Q CB 1.060 29.714 28.738 -0.140 0.000 0.963 158 Q HN -0.569 7.611 8.270 -0.150 0.000 0.472 159 L N -4.831 116.422 121.223 0.050 0.000 2.482 159 L HA 0.273 4.752 4.340 0.090 -0.085 0.242 159 L C -0.236 176.663 176.870 0.048 0.000 1.210 159 L CA -0.734 54.151 54.840 0.075 0.000 0.819 159 L CB 0.976 43.099 42.059 0.107 0.000 1.203 159 L HN -0.283 7.974 8.230 0.046 0.000 0.495 160 K N -1.581 118.851 120.400 0.053 0.000 2.397 160 K HA 0.367 4.698 4.320 0.018 0.000 0.253 160 K C -1.399 175.221 176.600 0.032 0.000 0.932 160 K CA -1.317 54.989 56.287 0.032 0.000 0.795 160 K CB 2.898 35.414 32.500 0.026 0.000 1.159 160 K HN 0.269 8.563 8.250 0.074 0.000 0.424 161 T N 4.138 118.692 114.554 0.001 0.000 2.907 161 T HA 0.622 5.168 4.350 0.014 -0.187 0.284 161 T C -0.022 174.613 174.700 -0.109 0.000 1.004 161 T CA -0.678 61.409 62.100 -0.021 0.000 1.063 161 T CB 0.934 69.794 68.868 -0.014 0.000 0.992 161 T HN 0.060 8.297 8.240 -0.004 0.000 0.483 162 V N 3.915 123.701 119.914 -0.214 0.000 2.709 162 V HA 0.166 4.111 4.120 -0.291 0.000 0.308 162 V C -2.169 173.748 176.094 -0.296 0.000 1.062 162 V CA -1.298 60.753 62.300 -0.414 0.000 0.901 162 V CB 4.253 35.453 31.823 -1.038 0.000 1.003 162 V HN 0.417 8.530 8.190 -0.129 0.000 0.425 163 D N 6.219 126.498 120.400 -0.202 0.000 2.232 163 D HA 0.178 4.896 4.640 -0.068 -0.119 0.242 163 D C -1.561 174.675 176.300 -0.106 0.000 1.093 163 D CA -0.371 53.565 54.000 -0.106 0.000 0.845 163 D CB 1.577 42.340 40.800 -0.062 0.000 1.124 163 D HN 0.340 8.584 8.370 -0.210 0.000 0.467 164 A N 4.401 127.203 122.820 -0.031 0.000 2.500 164 A HA 0.304 4.634 4.320 0.018 0.000 0.291 164 A C -2.863 174.770 177.584 0.080 0.000 1.048 164 A CA 0.232 52.289 52.037 0.033 0.000 0.791 164 A CB 2.646 21.713 19.000 0.111 0.000 1.309 164 A HN 0.511 8.659 8.150 -0.002 0.000 0.397 165 V N 2.239 122.192 119.914 0.065 0.000 2.777 165 V HA 0.242 4.404 4.120 0.070 0.000 0.306 165 V C 0.997 177.122 176.094 0.051 0.000 1.112 165 V CA -0.382 61.953 62.300 0.058 0.000 0.917 165 V CB 3.032 34.878 31.823 0.038 0.000 1.018 165 V HN 0.316 8.536 8.190 0.050 0.000 0.426 166 G N 7.857 116.686 108.800 0.049 0.000 4.754 166 G HA2 -0.402 3.576 3.960 0.030 0.000 0.222 166 G HA3 -0.402 3.576 3.960 0.030 0.000 0.222 166 G C -0.227 174.696 174.900 0.039 0.000 1.377 166 G CA 1.037 46.159 45.100 0.036 0.000 0.942 166 G HN 0.392 8.712 8.290 0.050 0.000 0.671 167 T N 0.351 114.932 114.554 0.044 0.000 2.918 167 T HA 0.056 4.427 4.350 0.034 0.000 0.302 167 T C 0.057 174.790 174.700 0.056 0.000 1.045 167 T CA -0.117 62.009 62.100 0.044 0.000 1.114 167 T CB 0.926 69.820 68.868 0.043 0.000 0.965 167 T HN -0.251 7.895 8.240 0.045 0.122 0.540 168 M N 1.197 120.824 119.600 0.045 0.000 2.369 168 M HA -0.050 4.458 4.480 0.046 0.000 0.254 168 M C 1.564 177.909 176.300 0.075 0.000 1.136 168 M CA 2.912 58.235 55.300 0.040 0.000 1.190 168 M CB 0.460 33.060 32.600 -0.001 0.000 1.289 168 M HN 0.116 8.427 8.290 0.036 0.000 0.468 169 D N -0.899 119.548 120.400 0.078 0.000 2.144 169 D HA -0.236 4.520 4.640 0.193 0.000 0.200 169 D C 2.396 178.789 176.300 0.154 0.000 0.978 169 D CA 3.599 57.681 54.000 0.135 0.000 0.833 169 D CB -0.760 40.102 40.800 0.102 0.000 0.961 169 D HN 0.262 8.662 8.370 0.050 0.000 0.470 170 E N -0.042 120.218 120.200 0.099 0.000 2.051 170 E HA -0.234 4.155 4.350 0.064 0.000 0.192 170 E C 2.262 178.915 176.600 0.088 0.000 0.991 170 E CA 2.547 58.992 56.400 0.075 0.000 0.799 170 E CB -0.188 29.540 29.700 0.046 0.000 0.748 170 E HN 0.219 8.627 8.360 0.080 0.000 0.449 171 V N -0.184 119.797 119.914 0.112 0.000 2.392 171 V HA -0.373 3.790 4.120 0.071 0.000 0.249 171 V C 2.129 178.359 176.094 0.227 0.000 1.059 171 V CA 3.374 65.759 62.300 0.141 0.000 1.051 171 V CB -0.602 31.330 31.823 0.180 0.000 0.658 171 V HN -0.484 7.769 8.190 0.105 0.000 0.455 172 F N 0.085 120.078 119.950 0.072 0.000 2.161 172 F HA -0.412 4.175 4.527 0.100 0.000 0.300 172 F C 0.935 176.756 175.800 0.034 0.000 1.089 172 F CA 2.674 60.714 58.000 0.066 0.000 1.282 172 F CB -0.744 38.287 39.000 0.052 0.000 1.010 172 F HN -0.104 8.385 8.300 0.314 0.000 0.485 173 A N -0.783 122.070 122.820 0.055 0.000 1.877 173 A HA -0.376 3.847 4.320 -0.161 0.000 0.216 173 A C 2.197 179.736 177.584 -0.075 0.000 1.186 173 A CA 3.062 55.060 52.037 -0.065 0.000 0.620 173 A CB -0.737 18.249 19.000 -0.022 0.000 0.822 173 A HN -0.470 7.619 8.150 0.147 0.149 0.443 174 R N -1.656 118.812 120.500 -0.053 0.000 2.097 174 R HA -0.418 3.859 4.340 -0.105 0.000 0.236 174 R C 2.337 178.560 176.300 -0.128 0.000 1.135 174 R CA 1.997 58.032 56.100 -0.109 0.000 0.934 174 R CB -1.151 29.044 30.300 -0.175 0.000 0.846 174 R HN -0.508 7.752 8.270 -0.016 0.000 0.431 175 A N -1.056 121.719 122.820 -0.075 0.000 1.927 175 A HA -0.259 4.056 4.320 -0.009 0.000 0.220 175 A C 2.538 180.120 177.584 -0.005 0.000 1.185 175 A CA 2.895 54.955 52.037 0.037 0.000 0.639 175 A CB -0.866 18.314 19.000 0.301 0.000 0.820 175 A HN -0.357 7.775 8.150 -0.031 0.000 0.451 176 L N -2.346 118.816 121.223 -0.101 0.000 2.046 176 L HA -0.377 3.897 4.340 -0.111 0.000 0.208 176 L C 2.459 179.271 176.870 -0.095 0.000 1.077 176 L CA 3.318 58.072 54.840 -0.144 0.000 0.747 176 L CB -0.501 41.393 42.059 -0.274 0.000 0.896 176 L HN -0.483 7.671 8.230 -0.127 0.000 0.432 177 R N -1.130 119.316 120.500 -0.091 0.000 2.096 177 R HA -0.445 3.856 4.340 -0.066 0.000 0.240 177 R C 2.552 178.819 176.300 -0.055 0.000 1.139 177 R CA 3.438 59.496 56.100 -0.071 0.000 0.952 177 R CB -0.385 29.872 30.300 -0.073 0.000 0.854 177 R HN -0.346 7.775 8.270 -0.101 0.088 0.436 178 A N -1.177 121.609 122.820 -0.056 0.000 1.873 178 A HA -0.257 4.041 4.320 -0.036 0.000 0.215 178 A C 1.285 178.862 177.584 -0.013 0.000 1.186 178 A CA 3.017 55.033 52.037 -0.035 0.000 0.616 178 A CB -0.238 18.737 19.000 -0.042 0.000 0.823 178 A HN -0.402 7.705 8.150 -0.071 0.000 0.442 179 L N -3.977 117.244 121.223 -0.004 0.000 2.071 179 L HA -0.011 4.334 4.340 0.008 0.000 0.201 179 L C 1.512 178.373 176.870 -0.015 0.000 1.076 179 L CA 2.245 57.087 54.840 0.002 0.000 0.755 179 L CB -0.209 41.864 42.059 0.025 0.000 0.915 179 L HN -0.573 7.653 8.230 -0.007 0.000 0.445 180 G N -3.907 104.875 108.800 -0.029 0.000 2.692 180 G HA2 -0.043 3.901 3.960 -0.027 0.000 0.209 180 G HA3 -0.043 3.893 3.960 -0.041 0.000 0.209 180 G C -0.955 173.923 174.900 -0.038 0.000 1.166 180 G CA 0.070 45.149 45.100 -0.034 0.000 0.844 180 G HN -0.281 7.987 8.290 -0.037 0.000 0.596 181 K N 0.000 120.371 120.400 -0.048 0.000 2.780 181 K HA 0.000 4.412 4.320 -0.044 -0.119 0.191 181 K CA 0.000 56.260 56.287 -0.045 0.000 0.838 181 K CB 0.000 32.479 32.500 -0.034 0.000 1.064 181 K HN 0.000 8.103 8.250 -0.059 0.112 0.543