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 1zs3_1_I DATA FIRST_RESID 3 DATA SEQUENCE TKLMIDEKYA KELDKAEIDH HKPTAGAMLG HVLSNLFIEN IRLTQAGIYA DATA SEQUENCE KSPVKCEYLR EIAQREVEYF FKISDLLLDE NEIVPSTTEE FLKYHKFITE DATA SEQUENCE DPKAKYWTDE DLLESFIVDF QAQNMFITRA IKLANKEEKF ALAAGVVELY DATA SEQUENCE GYNLQVIRNL AGDLGKSVAD F 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 3 T HA 0.000 4.350 4.350 0.000 0.000 0.228 3 T C 0.000 174.700 174.700 -0.001 0.000 1.109 3 T CA 0.000 62.100 62.100 -0.001 0.000 1.349 3 T CB 0.000 68.866 68.868 -0.003 0.000 0.612 4 K N 1.736 122.135 120.400 -0.001 0.000 2.296 4 K HA 0.451 4.767 4.320 -0.007 0.000 0.200 4 K C 1.497 178.100 176.600 0.004 0.000 1.048 4 K CA 0.795 57.081 56.287 -0.002 0.000 0.966 4 K CB -0.288 32.209 32.500 -0.004 0.000 0.754 4 K HN 0.275 8.525 8.250 0.000 0.000 0.466 5 L N -0.561 120.665 121.223 0.006 0.000 2.554 5 L HA 0.204 4.539 4.340 -0.007 0.000 0.225 5 L C 1.679 178.558 176.870 0.014 0.000 1.104 5 L CA 0.377 55.224 54.840 0.011 0.000 0.866 5 L CB 0.017 42.081 42.059 0.008 0.000 1.047 5 L HN 0.056 8.286 8.230 0.000 0.000 0.468 6 M N -1.055 118.551 119.600 0.011 0.000 2.447 6 M HA 0.029 4.505 4.480 -0.007 0.000 0.264 6 M C 1.894 178.206 176.300 0.019 0.000 1.095 6 M CA 1.434 56.742 55.300 0.013 0.000 1.125 6 M CB -0.024 32.581 32.600 0.009 0.000 1.389 6 M HN 0.112 8.402 8.290 0.000 0.000 0.459 7 I N -0.809 119.771 120.570 0.018 0.000 2.703 7 I HA -0.159 4.006 4.170 -0.007 0.000 0.259 7 I C 1.277 177.421 176.117 0.045 0.000 1.151 7 I CA 0.800 62.112 61.300 0.019 0.000 1.470 7 I CB -0.080 37.918 38.000 -0.003 0.000 1.112 7 I HN 0.124 8.334 8.210 0.000 0.000 0.437 8 D N 0.245 120.674 120.400 0.048 0.000 2.271 8 D HA -0.143 4.492 4.640 -0.007 0.000 0.206 8 D C 1.964 178.324 176.300 0.099 0.000 0.967 8 D CA 0.711 54.761 54.000 0.083 0.000 0.867 8 D CB 0.174 41.005 40.800 0.053 0.000 0.960 8 D HN 0.418 8.788 8.370 0.000 0.000 0.509 9 E N 0.271 120.507 120.200 0.059 0.000 2.415 9 E HA -0.024 4.321 4.350 -0.007 0.000 0.197 9 E C 1.511 178.134 176.600 0.038 0.000 1.007 9 E CA 0.183 56.606 56.400 0.038 0.000 0.890 9 E CB 0.198 29.909 29.700 0.019 0.000 0.891 9 E HN -0.025 8.335 8.360 0.000 0.000 0.496 10 K N -0.126 120.308 120.400 0.056 0.000 2.148 10 K HA -0.131 4.185 4.320 -0.007 0.000 0.204 10 K C 1.712 178.373 176.600 0.102 0.000 1.050 10 K CA 1.299 57.621 56.287 0.059 0.000 0.942 10 K CB -0.146 32.385 32.500 0.052 0.000 0.724 10 K HN 0.256 8.506 8.250 0.000 0.000 0.446 11 Y N -0.163 120.127 120.300 -0.016 0.000 2.365 11 Y HA -0.059 4.487 4.550 -0.007 0.000 0.293 11 Y C 1.919 177.809 175.900 -0.017 0.000 1.119 11 Y CA 0.763 58.853 58.100 -0.018 0.000 1.203 11 Y CB 0.186 38.635 38.460 -0.018 0.000 1.026 11 Y HN 0.042 8.322 8.280 0.000 0.000 0.549 12 A N 0.992 123.764 122.820 -0.080 0.000 1.969 12 A HA -0.177 4.139 4.320 -0.007 0.000 0.218 12 A C 2.120 179.622 177.584 -0.136 0.000 1.169 12 A CA 1.744 53.686 52.037 -0.158 0.000 0.635 12 A CB -0.576 18.387 19.000 -0.060 0.000 0.810 12 A HN 0.592 8.742 8.150 0.000 0.000 0.445 13 K N -0.127 120.226 120.400 -0.078 0.000 2.243 13 K HA -0.015 4.301 4.320 -0.007 0.000 0.201 13 K C 1.785 178.338 176.600 -0.078 0.000 1.051 13 K CA 1.219 57.467 56.287 -0.065 0.000 0.970 13 K CB -0.203 32.277 32.500 -0.034 0.000 0.755 13 K HN 0.472 8.722 8.250 0.000 0.000 0.465 14 E N 1.114 121.268 120.200 -0.077 0.000 2.106 14 E HA -0.155 4.191 4.350 -0.007 0.000 0.192 14 E C 1.953 178.477 176.600 -0.127 0.000 0.984 14 E CA 0.839 57.198 56.400 -0.068 0.000 0.806 14 E CB -0.006 29.704 29.700 0.017 0.000 0.750 14 E HN 0.416 8.776 8.360 0.000 0.000 0.458 15 L N 0.869 121.957 121.223 -0.224 0.000 2.291 15 L HA -0.137 4.198 4.340 -0.007 0.000 0.214 15 L C 1.933 178.714 176.870 -0.149 0.000 1.120 15 L CA 0.786 55.493 54.840 -0.222 0.000 0.799 15 L CB -0.022 41.823 42.059 -0.356 0.000 0.925 15 L HN 0.101 8.331 8.230 0.000 0.000 0.446 16 D N -0.229 120.092 120.400 -0.132 0.000 2.085 16 D HA -0.156 4.479 4.640 -0.007 0.000 0.199 16 D C 2.144 178.379 176.300 -0.109 0.000 0.981 16 D CA 0.926 54.865 54.000 -0.102 0.000 0.834 16 D CB 0.061 40.813 40.800 -0.080 0.000 0.992 16 D HN -0.011 8.359 8.370 0.000 0.000 0.457 17 K N 0.314 120.651 120.400 -0.104 0.000 2.074 17 K HA -0.130 4.186 4.320 -0.007 0.000 0.209 17 K C 1.811 178.315 176.600 -0.159 0.000 1.048 17 K CA 1.247 57.467 56.287 -0.112 0.000 0.926 17 K CB -0.129 32.316 32.500 -0.093 0.000 0.713 17 K HN 0.055 8.305 8.250 0.000 0.000 0.444 18 A N 0.527 123.241 122.820 -0.177 0.000 2.123 18 A HA -0.081 4.235 4.320 -0.007 0.000 0.214 18 A C 1.879 179.277 177.584 -0.310 0.000 1.152 18 A CA 0.771 52.648 52.037 -0.268 0.000 0.728 18 A CB -0.051 18.827 19.000 -0.203 0.000 0.814 18 A HN 0.271 8.421 8.150 0.000 0.000 0.464 19 E N -0.317 119.752 120.200 -0.218 0.000 2.060 19 E HA -0.079 4.267 4.350 -0.007 0.000 0.189 19 E C 1.636 177.935 176.600 -0.501 0.000 0.974 19 E CA 0.673 56.914 56.400 -0.264 0.000 0.808 19 E CB -0.077 29.526 29.700 -0.162 0.000 0.768 19 E HN 0.458 8.818 8.360 0.000 0.000 0.453 20 I N 2.315 122.700 120.570 -0.308 0.000 2.163 20 I HA -0.269 3.897 4.170 -0.007 0.000 0.243 20 I C 1.822 177.832 176.117 -0.178 0.000 1.085 20 I CA 1.460 62.630 61.300 -0.218 0.000 1.347 20 I CB -0.467 37.468 38.000 -0.108 0.000 1.044 20 I HN 0.027 8.237 8.210 0.000 0.000 0.408 21 D N -0.881 119.402 120.400 -0.195 0.000 2.144 21 D HA -0.175 4.461 4.640 -0.007 0.000 0.199 21 D C 2.155 178.387 176.300 -0.113 0.000 0.984 21 D CA 1.138 55.040 54.000 -0.163 0.000 0.834 21 D CB -0.358 40.306 40.800 -0.227 0.000 0.955 21 D HN 0.355 8.725 8.370 0.000 0.000 0.465 22 H N -0.381 118.604 119.070 -0.143 0.000 2.518 22 H HA -0.067 4.484 4.556 -0.007 0.000 0.289 22 H C 1.536 176.977 175.328 0.188 0.000 1.051 22 H CA 1.027 57.061 56.048 -0.023 0.000 1.280 22 H CB 0.180 29.936 29.762 -0.010 0.000 1.380 22 H HN 0.334 8.614 8.280 0.000 0.000 0.566 23 H N 0.311 119.451 119.070 0.115 0.000 2.418 23 H HA 0.051 4.603 4.556 -0.007 0.000 0.300 23 H C 1.187 176.547 175.328 0.052 0.000 1.041 23 H CA 0.635 56.730 56.048 0.078 0.000 1.364 23 H CB 0.283 30.078 29.762 0.055 0.000 1.439 23 H HN 0.288 8.568 8.280 0.000 0.000 0.540 24 K N 2.124 122.618 120.400 0.157 0.000 2.535 24 K HA 0.196 4.511 4.320 -0.007 0.000 0.242 24 K C -2.517 174.122 176.600 0.065 0.000 1.210 24 K CA -1.678 54.660 56.287 0.085 0.000 1.178 24 K CB 0.130 32.660 32.500 0.049 0.000 1.778 24 K HN -0.050 8.200 8.250 0.000 0.000 0.372 25 P HA -0.136 4.284 4.420 0.000 0.000 0.249 25 P C 0.151 177.476 177.300 0.041 0.000 1.140 25 P CA 0.748 63.904 63.100 0.093 0.000 0.803 25 P CB 0.055 31.824 31.700 0.115 0.000 0.745 26 T N 0.065 114.619 114.554 0.001 0.000 2.788 26 T HA 0.407 4.753 4.350 -0.007 0.000 0.287 26 T C 1.545 176.228 174.700 -0.028 0.000 1.007 26 T CA -0.128 61.954 62.100 -0.030 0.000 1.005 26 T CB 0.964 69.792 68.868 -0.067 0.000 1.012 26 T HN 0.277 8.517 8.240 0.000 0.000 0.530 27 A N 1.108 123.905 122.820 -0.038 0.000 1.873 27 A HA 0.179 4.494 4.320 -0.007 0.000 0.215 27 A C 2.534 180.087 177.584 -0.051 0.000 1.186 27 A CA 1.635 53.652 52.037 -0.033 0.000 0.616 27 A CB -1.711 17.263 19.000 -0.043 0.000 0.823 27 A HN 1.119 9.269 8.150 0.000 0.000 0.442 28 G N -0.807 107.946 108.800 -0.078 0.000 2.462 28 G HA2 0.017 3.973 3.960 -0.007 0.000 0.220 28 G HA3 0.017 3.973 3.960 -0.007 0.000 0.220 28 G C 1.511 176.316 174.900 -0.158 0.000 1.121 28 G CA 1.421 46.456 45.100 -0.107 0.000 0.758 28 G HN 0.830 9.120 8.290 0.000 0.000 0.559 29 A N -0.457 122.260 122.820 -0.172 0.000 2.044 29 A HA 0.358 4.674 4.320 -0.007 0.000 0.213 29 A C 2.139 179.615 177.584 -0.179 0.000 1.169 29 A CA 1.501 53.378 52.037 -0.267 0.000 0.724 29 A CB -0.164 18.643 19.000 -0.321 0.000 0.840 29 A HN 0.317 8.467 8.150 0.000 0.000 0.463 30 M N 0.228 119.797 119.600 -0.051 0.000 2.067 30 M HA 0.025 4.501 4.480 -0.007 0.000 0.260 30 M C 1.677 177.967 176.300 -0.018 0.000 1.069 30 M CA 1.572 56.903 55.300 0.051 0.000 1.117 30 M CB -0.843 31.830 32.600 0.122 0.000 1.334 30 M HN 0.316 8.606 8.290 0.000 0.000 0.407 31 L N -0.462 120.739 121.223 -0.037 0.000 2.450 31 L HA -0.101 4.235 4.340 -0.007 0.000 0.224 31 L C 2.240 179.058 176.870 -0.088 0.000 1.149 31 L CA 0.781 55.599 54.840 -0.038 0.000 0.816 31 L CB -1.283 40.750 42.059 -0.044 0.000 0.932 31 L HN 0.547 8.777 8.230 0.000 0.000 0.449 32 G N -0.973 107.706 108.800 -0.200 0.000 2.402 32 G HA2 -0.225 3.730 3.960 -0.007 0.000 0.216 32 G HA3 -0.225 3.730 3.960 -0.007 0.000 0.216 32 G C 1.357 176.156 174.900 -0.168 0.000 1.162 32 G CA 0.383 45.336 45.100 -0.245 0.000 0.777 32 G HN 0.403 8.693 8.290 0.000 0.000 0.539 33 H N 0.170 119.176 119.070 -0.107 0.000 2.389 33 H HA -0.001 4.551 4.556 -0.007 0.000 0.299 33 H C 2.841 178.102 175.328 -0.112 0.000 1.081 33 H CA 1.102 57.036 56.048 -0.189 0.000 1.345 33 H CB -0.697 28.688 29.762 -0.628 0.000 1.393 33 H HN 0.191 8.471 8.280 0.000 0.000 0.520 34 V N 1.573 121.516 119.914 0.048 0.000 2.287 34 V HA -0.237 3.879 4.120 -0.007 0.000 0.248 34 V C 2.818 178.976 176.094 0.107 0.000 1.053 34 V CA 1.504 63.860 62.300 0.093 0.000 1.027 34 V CB -0.647 31.233 31.823 0.095 0.000 0.646 34 V HN 0.236 8.426 8.190 0.000 0.000 0.447 35 L N -0.517 120.767 121.223 0.100 0.000 2.109 35 L HA -0.094 4.242 4.340 -0.007 0.000 0.207 35 L C 2.567 179.625 176.870 0.313 0.000 1.086 35 L CA 1.342 56.288 54.840 0.178 0.000 0.760 35 L CB -0.535 41.530 42.059 0.009 0.000 0.910 35 L HN 0.287 8.517 8.230 0.000 0.000 0.437 36 S N -0.094 115.769 115.700 0.273 0.000 2.383 36 S HA -0.104 4.362 4.470 -0.007 0.000 0.227 36 S C 1.719 176.396 174.600 0.128 0.000 1.026 36 S CA 0.958 59.314 58.200 0.261 0.000 0.981 36 S CB -0.258 63.204 63.200 0.437 0.000 0.818 36 S HN 0.431 8.741 8.310 0.000 0.000 0.472 37 N N 1.731 120.512 118.700 0.135 0.000 2.166 37 N HA 0.041 4.777 4.740 -0.007 0.000 0.186 37 N C 1.622 177.144 175.510 0.019 0.000 1.019 37 N CA 0.766 53.867 53.050 0.086 0.000 0.856 37 N CB -0.506 38.041 38.487 0.100 0.000 0.993 37 N HN 0.341 8.721 8.380 0.000 0.000 0.426 38 L N -0.824 120.435 121.223 0.059 0.000 2.017 38 L HA -0.122 4.214 4.340 -0.007 0.000 0.208 38 L C 2.092 178.896 176.870 -0.110 0.000 1.073 38 L CA 1.044 55.905 54.840 0.035 0.000 0.745 38 L CB -0.384 41.791 42.059 0.193 0.000 0.894 38 L HN 0.048 8.278 8.230 0.000 0.000 0.432 39 F N -0.253 119.508 119.950 -0.316 0.000 2.206 39 F HA -0.176 4.347 4.527 -0.007 0.000 0.298 39 F C 2.219 177.800 175.800 -0.364 0.000 1.090 39 F CA 1.015 58.679 58.000 -0.561 0.000 1.323 39 F CB 0.111 38.351 39.000 -1.268 0.000 1.028 39 F HN -0.069 8.231 8.300 0.000 0.000 0.492 40 I N 0.104 120.611 120.570 -0.106 0.000 2.546 40 I HA -0.193 3.972 4.170 -0.007 0.000 0.255 40 I C 2.175 178.235 176.117 -0.094 0.000 1.163 40 I CA 1.145 62.385 61.300 -0.100 0.000 1.457 40 I CB -0.711 37.167 38.000 -0.203 0.000 1.092 40 I HN 0.071 8.281 8.210 0.000 0.000 0.434 41 E N 0.623 120.762 120.200 -0.101 0.000 2.072 41 E HA -0.204 4.142 4.350 -0.007 0.000 0.190 41 E C 2.076 178.634 176.600 -0.070 0.000 0.982 41 E CA 1.187 57.552 56.400 -0.059 0.000 0.803 41 E CB -0.362 29.261 29.700 -0.130 0.000 0.755 41 E HN 0.451 8.811 8.360 0.000 0.000 0.453 42 N N 0.056 118.644 118.700 -0.188 0.000 2.132 42 N HA -0.222 4.514 4.740 -0.007 0.000 0.191 42 N C 1.761 177.158 175.510 -0.189 0.000 1.015 42 N CA 1.556 54.444 53.050 -0.269 0.000 0.864 42 N CB -0.109 38.024 38.487 -0.591 0.000 1.006 42 N HN 0.266 8.646 8.380 0.000 0.000 0.430 43 I N 0.387 120.877 120.570 -0.133 0.000 2.333 43 I HA -0.137 4.028 4.170 -0.007 0.000 0.246 43 I C 2.489 178.604 176.117 -0.004 0.000 1.106 43 I CA 0.447 61.715 61.300 -0.055 0.000 1.411 43 I CB -0.214 37.778 38.000 -0.013 0.000 1.082 43 I HN 0.116 8.326 8.210 0.000 0.000 0.420 44 R N 0.856 121.379 120.500 0.038 0.000 2.081 44 R HA -0.097 4.239 4.340 -0.007 0.000 0.235 44 R C 2.308 178.744 176.300 0.228 0.000 1.131 44 R CA 1.251 57.434 56.100 0.139 0.000 0.960 44 R CB -0.629 29.816 30.300 0.242 0.000 0.856 44 R HN 0.361 8.631 8.270 0.000 0.000 0.436 45 L N 0.139 121.427 121.223 0.107 0.000 2.083 45 L HA -0.147 4.189 4.340 -0.007 0.000 0.209 45 L C 2.435 179.277 176.870 -0.046 0.000 1.083 45 L CA 1.294 56.083 54.840 -0.085 0.000 0.752 45 L CB -0.600 41.322 42.059 -0.228 0.000 0.899 45 L HN 0.182 8.412 8.230 0.000 0.000 0.433 46 T N -1.013 113.519 114.554 -0.037 0.000 2.684 46 T HA -0.304 4.042 4.350 -0.007 0.000 0.267 46 T C 1.809 176.514 174.700 0.008 0.000 1.036 46 T CA 1.738 63.819 62.100 -0.033 0.000 1.148 46 T CB -0.164 68.679 68.868 -0.043 0.000 0.863 46 T HN 0.404 8.644 8.240 0.000 0.000 0.436 47 Q N 0.669 120.502 119.800 0.054 0.000 2.020 47 Q HA -0.104 4.232 4.340 -0.007 0.000 0.202 47 Q C 2.479 178.578 176.000 0.165 0.000 0.982 47 Q CA 1.631 57.509 55.803 0.125 0.000 0.838 47 Q CB -0.335 28.447 28.738 0.073 0.000 0.899 47 Q HN 0.517 8.787 8.270 0.000 0.000 0.423 48 A N 0.436 123.346 122.820 0.150 0.000 1.930 48 A HA -0.057 4.259 4.320 -0.007 0.000 0.217 48 A C 2.266 179.905 177.584 0.092 0.000 1.175 48 A CA 1.409 53.549 52.037 0.172 0.000 0.627 48 A CB -1.156 18.034 19.000 0.316 0.000 0.815 48 A HN 0.623 8.773 8.150 0.000 0.000 0.443 49 G N -0.350 108.466 108.800 0.027 0.000 2.448 49 G HA2 -0.119 3.837 3.960 -0.007 0.000 0.219 49 G HA3 -0.119 3.837 3.960 -0.007 0.000 0.219 49 G C 1.412 176.290 174.900 -0.037 0.000 1.127 49 G CA 1.163 46.252 45.100 -0.018 0.000 0.766 49 G HN 0.500 8.790 8.290 0.000 0.000 0.552 50 I N -1.857 118.672 120.570 -0.069 0.000 2.731 50 I HA 0.128 4.294 4.170 -0.007 0.000 0.260 50 I C 2.001 177.956 176.117 -0.270 0.000 1.138 50 I CA 0.433 61.606 61.300 -0.212 0.000 1.461 50 I CB 0.211 38.000 38.000 -0.352 0.000 1.128 50 I HN 0.081 8.291 8.210 0.000 0.000 0.438 51 Y N 0.864 121.143 120.300 -0.034 0.000 2.479 51 Y HA 0.405 4.950 4.550 -0.007 0.000 0.283 51 Y C 1.712 177.606 175.900 -0.010 0.000 1.109 51 Y CA -0.128 57.944 58.100 -0.047 0.000 1.239 51 Y CB -0.439 37.956 38.460 -0.107 0.000 1.108 51 Y HN -0.063 8.217 8.280 0.000 0.000 0.548 52 A N 1.344 124.259 122.820 0.158 0.000 2.632 52 A HA -0.076 4.240 4.320 -0.007 0.000 0.229 52 A C 1.273 178.913 177.584 0.095 0.000 1.047 52 A CA 0.295 52.408 52.037 0.126 0.000 0.754 52 A CB 0.358 19.427 19.000 0.114 0.000 0.969 52 A HN 0.266 8.416 8.150 0.000 0.000 0.509 53 K N 1.339 121.795 120.400 0.094 0.000 2.078 53 K HA 0.040 4.355 4.320 -0.007 0.000 0.203 53 K C 1.218 177.852 176.600 0.058 0.000 1.043 53 K CA 0.936 57.268 56.287 0.075 0.000 0.960 53 K CB -0.903 31.644 32.500 0.079 0.000 0.761 53 K HN 0.648 8.898 8.250 0.000 0.000 0.448 54 S N 3.178 118.916 115.700 0.063 0.000 2.737 54 S HA 0.002 4.468 4.470 -0.007 0.000 0.315 54 S C -1.775 172.853 174.600 0.046 0.000 1.236 54 S CA -1.055 57.177 58.200 0.053 0.000 1.093 54 S CB 0.429 63.666 63.200 0.062 0.000 0.832 54 S HN -0.094 8.216 8.310 0.000 0.000 0.507 55 P HA -0.118 4.302 4.420 0.000 0.000 0.216 55 P C 1.560 178.878 177.300 0.031 0.000 1.153 55 P CA 0.696 63.811 63.100 0.025 0.000 0.858 55 P CB 0.030 31.741 31.700 0.017 0.000 0.789 56 V N 0.264 120.198 119.914 0.033 0.000 2.287 56 V HA -0.286 3.830 4.120 -0.007 0.000 0.248 56 V C 2.266 178.405 176.094 0.075 0.000 1.053 56 V CA 1.933 64.256 62.300 0.038 0.000 1.027 56 V CB -0.973 30.863 31.823 0.022 0.000 0.646 56 V HN 0.193 8.383 8.190 0.000 0.000 0.447 57 K N -0.968 119.483 120.400 0.086 0.000 2.057 57 K HA -0.156 4.160 4.320 -0.007 0.000 0.206 57 K C 2.236 178.893 176.600 0.094 0.000 1.050 57 K CA 1.634 57.995 56.287 0.122 0.000 0.935 57 K CB -0.566 32.002 32.500 0.113 0.000 0.715 57 K HN 0.438 8.688 8.250 0.000 0.000 0.439 58 C N 1.434 120.771 119.300 0.061 0.000 2.403 58 C HA -0.143 4.313 4.460 -0.007 0.000 0.277 58 C C 2.602 177.607 174.990 0.025 0.000 1.248 58 C CA 0.942 59.979 59.018 0.030 0.000 1.762 58 C CB -0.695 27.054 27.740 0.015 0.000 2.014 58 C HN 0.544 8.774 8.230 0.000 0.000 0.486 59 E N -0.903 119.327 120.200 0.050 0.000 2.046 59 E HA -0.188 4.158 4.350 -0.007 0.000 0.190 59 E C 2.074 178.740 176.600 0.109 0.000 0.982 59 E CA 0.876 57.309 56.400 0.056 0.000 0.800 59 E CB -0.291 29.439 29.700 0.050 0.000 0.756 59 E HN 0.688 9.048 8.360 0.000 0.000 0.449 60 Y N 1.216 121.497 120.300 -0.032 0.000 2.165 60 Y HA -0.202 4.343 4.550 -0.008 0.000 0.286 60 Y C 1.846 177.707 175.900 -0.065 0.000 1.155 60 Y CA 1.367 59.441 58.100 -0.043 0.000 1.164 60 Y CB -0.402 38.030 38.460 -0.046 0.000 0.978 60 Y HN 0.059 8.339 8.280 0.000 0.000 0.513 61 L N -0.710 120.434 121.223 -0.131 0.000 2.156 61 L HA -0.156 4.180 4.340 -0.007 0.000 0.208 61 L C 2.571 179.323 176.870 -0.197 0.000 1.095 61 L CA 1.097 55.764 54.840 -0.288 0.000 0.770 61 L CB -0.375 41.561 42.059 -0.204 0.000 0.914 61 L HN 0.016 8.246 8.230 0.000 0.000 0.439 62 R N -0.422 120.022 120.500 -0.093 0.000 2.115 62 R HA -0.159 4.177 4.340 -0.007 0.000 0.230 62 R C 2.167 178.435 176.300 -0.052 0.000 1.111 62 R CA 0.997 57.056 56.100 -0.067 0.000 0.976 62 R CB -0.121 30.157 30.300 -0.036 0.000 0.870 62 R HN 0.369 8.639 8.270 0.000 0.000 0.445 63 E N 0.966 121.154 120.200 -0.020 0.000 2.107 63 E HA -0.145 4.201 4.350 -0.007 0.000 0.191 63 E C 1.841 178.443 176.600 0.004 0.000 0.982 63 E CA 0.870 57.282 56.400 0.020 0.000 0.809 63 E CB 0.103 29.872 29.700 0.115 0.000 0.756 63 E HN 0.296 8.656 8.360 0.000 0.000 0.459 64 I N 0.968 121.498 120.570 -0.067 0.000 2.252 64 I HA -0.212 3.954 4.170 -0.007 0.000 0.245 64 I C 2.619 178.734 176.117 -0.004 0.000 1.102 64 I CA 0.872 62.157 61.300 -0.025 0.000 1.385 64 I CB -0.348 37.498 38.000 -0.258 0.000 1.064 64 I HN 0.107 8.317 8.210 0.000 0.000 0.414 65 A N 0.126 122.896 122.820 -0.085 0.000 1.940 65 A HA -0.295 4.021 4.320 -0.007 0.000 0.219 65 A C 2.325 179.859 177.584 -0.084 0.000 1.176 65 A CA 1.834 53.813 52.037 -0.096 0.000 0.631 65 A CB -0.669 18.259 19.000 -0.121 0.000 0.814 65 A HN 0.490 8.640 8.150 0.000 0.000 0.446 66 Q N -1.112 118.650 119.800 -0.062 0.000 2.079 66 Q HA -0.149 4.186 4.340 -0.007 0.000 0.200 66 Q C 2.315 178.273 176.000 -0.069 0.000 0.974 66 Q CA 0.968 56.736 55.803 -0.060 0.000 0.840 66 Q CB -0.037 28.672 28.738 -0.048 0.000 0.898 66 Q HN 0.492 8.762 8.270 0.000 0.000 0.430 67 R N 0.408 120.865 120.500 -0.073 0.000 2.075 67 R HA -0.094 4.242 4.340 -0.007 0.000 0.232 67 R C 1.951 178.229 176.300 -0.037 0.000 1.126 67 R CA 0.947 56.946 56.100 -0.169 0.000 0.963 67 R CB -0.315 29.832 30.300 -0.255 0.000 0.858 67 R HN 0.373 8.643 8.270 0.000 0.000 0.435 68 E N 0.504 120.757 120.200 0.089 0.000 2.085 68 E HA -0.126 4.220 4.350 -0.007 0.000 0.194 68 E C 2.163 178.806 176.600 0.072 0.000 0.994 68 E CA 1.018 57.504 56.400 0.144 0.000 0.801 68 E CB -0.206 29.530 29.700 0.060 0.000 0.743 68 E HN 0.076 8.436 8.360 0.000 0.000 0.453 69 V N 1.502 121.390 119.914 -0.044 0.000 2.307 69 V HA -0.239 3.877 4.120 -0.007 0.000 0.245 69 V C 2.251 178.463 176.094 0.196 0.000 1.045 69 V CA 1.801 64.091 62.300 -0.017 0.000 1.024 69 V CB -0.463 31.320 31.823 -0.066 0.000 0.651 69 V HN 0.230 8.420 8.190 0.000 0.000 0.449 70 E N -0.922 119.335 120.200 0.095 0.000 2.097 70 E HA -0.260 4.086 4.350 -0.007 0.000 0.196 70 E C 2.144 178.778 176.600 0.056 0.000 1.000 70 E CA 1.901 58.330 56.400 0.049 0.000 0.804 70 E CB -0.199 29.371 29.700 -0.215 0.000 0.740 70 E HN 0.682 9.042 8.360 0.000 0.000 0.454 71 Y N -0.983 119.381 120.300 0.106 0.000 2.373 71 Y HA -0.122 4.424 4.550 -0.007 0.000 0.293 71 Y C 1.868 177.833 175.900 0.109 0.000 1.129 71 Y CA 0.591 58.744 58.100 0.088 0.000 1.226 71 Y CB -0.366 38.132 38.460 0.063 0.000 1.000 71 Y HN 0.097 8.377 8.280 0.000 0.000 0.549 72 F N -0.846 119.174 119.950 0.116 0.000 2.134 72 F HA -0.223 4.300 4.527 -0.007 0.000 0.299 72 F C 1.804 177.571 175.800 -0.054 0.000 1.097 72 F CA 1.534 59.526 58.000 -0.013 0.000 1.264 72 F CB -0.538 38.383 39.000 -0.132 0.000 1.001 72 F HN -0.036 8.264 8.300 0.000 0.000 0.479 73 F N 0.420 120.538 119.950 0.280 0.000 2.163 73 F HA -0.082 4.441 4.527 -0.007 0.000 0.297 73 F C 2.539 178.378 175.800 0.065 0.000 1.094 73 F CA 1.428 59.526 58.000 0.163 0.000 1.290 73 F CB -0.603 38.490 39.000 0.155 0.000 1.017 73 F HN -0.196 8.104 8.300 0.000 0.000 0.483 74 K N 0.978 121.531 120.400 0.255 0.000 2.032 74 K HA -0.197 4.119 4.320 -0.007 0.000 0.209 74 K C 1.960 178.631 176.600 0.119 0.000 1.048 74 K CA 1.759 58.148 56.287 0.170 0.000 0.927 74 K CB -0.361 32.243 32.500 0.174 0.000 0.712 74 K HN 0.274 8.524 8.250 0.000 0.000 0.441 75 I N 0.499 121.121 120.570 0.088 0.000 2.500 75 I HA -0.166 4.000 4.170 -0.007 0.000 0.252 75 I C 2.135 178.219 176.117 -0.055 0.000 1.142 75 I CA 0.521 61.834 61.300 0.021 0.000 1.451 75 I CB 0.052 38.060 38.000 0.014 0.000 1.093 75 I HN 0.131 8.341 8.210 0.000 0.000 0.430 76 S N 0.409 116.029 115.700 -0.135 0.000 2.382 76 S HA -0.191 4.274 4.470 -0.007 0.000 0.228 76 S C 1.583 176.168 174.600 -0.026 0.000 1.027 76 S CA 1.298 59.404 58.200 -0.156 0.000 0.991 76 S CB -0.237 62.799 63.200 -0.274 0.000 0.823 76 S HN 0.412 8.722 8.310 0.000 0.000 0.469 77 D N 1.259 121.683 120.400 0.040 0.000 2.178 77 D HA -0.006 4.630 4.640 -0.007 0.000 0.201 77 D C 1.793 178.115 176.300 0.036 0.000 0.980 77 D CA 0.733 54.770 54.000 0.062 0.000 0.842 77 D CB -0.181 40.673 40.800 0.091 0.000 0.948 77 D HN 0.327 8.697 8.370 0.000 0.000 0.472 78 L N -0.126 121.114 121.223 0.029 0.000 2.131 78 L HA -0.034 4.302 4.340 -0.007 0.000 0.206 78 L C 2.484 179.357 176.870 0.004 0.000 1.087 78 L CA 0.289 55.144 54.840 0.025 0.000 0.767 78 L CB -0.205 41.874 42.059 0.034 0.000 0.917 78 L HN 0.012 8.242 8.230 0.000 0.000 0.441 79 L N -0.560 120.654 121.223 -0.015 0.000 1.989 79 L HA -0.268 4.068 4.340 -0.007 0.000 0.211 79 L C 2.531 179.389 176.870 -0.020 0.000 1.071 79 L CA 1.310 56.132 54.840 -0.030 0.000 0.749 79 L CB -0.450 41.576 42.059 -0.054 0.000 0.890 79 L HN 0.191 8.421 8.230 0.000 0.000 0.431 80 L N -0.440 120.777 121.223 -0.009 0.000 2.046 80 L HA -0.259 4.077 4.340 -0.007 0.000 0.208 80 L C 2.160 179.033 176.870 0.006 0.000 1.077 80 L CA 1.590 56.431 54.840 0.001 0.000 0.747 80 L CB -0.701 41.367 42.059 0.015 0.000 0.896 80 L HN 0.213 8.443 8.230 0.000 0.000 0.432 81 D N -0.347 120.061 120.400 0.013 0.000 2.149 81 D HA -0.244 4.392 4.640 -0.007 0.000 0.194 81 D C 1.672 177.977 176.300 0.009 0.000 1.001 81 D CA 1.245 55.254 54.000 0.016 0.000 0.849 81 D CB 0.009 40.823 40.800 0.023 0.000 0.939 81 D HN 0.296 8.666 8.370 0.000 0.000 0.449 82 E N -0.412 119.788 120.200 0.000 0.000 2.349 82 E HA 0.115 4.461 4.350 -0.007 0.000 0.201 82 E C -0.176 176.413 176.600 -0.019 0.000 1.087 82 E CA -0.112 56.282 56.400 -0.010 0.000 1.128 82 E CB -0.699 28.989 29.700 -0.020 0.000 1.188 82 E HN 0.121 8.481 8.360 0.000 0.000 0.445 83 N N 0.397 119.089 118.700 -0.013 0.000 2.678 83 N HA -0.217 4.519 4.740 -0.007 0.000 0.250 83 N C -0.513 174.980 175.510 -0.028 0.000 1.136 83 N CA 0.915 53.955 53.050 -0.018 0.000 0.757 83 N CB -0.094 38.383 38.487 -0.017 0.000 1.135 83 N HN 0.301 8.681 8.380 0.000 0.000 0.565 84 E N -0.165 120.014 120.200 -0.035 0.000 2.385 84 E HA 0.440 4.786 4.350 -0.007 0.000 0.254 84 E C 0.147 176.723 176.600 -0.040 0.000 1.228 84 E CA -0.295 56.076 56.400 -0.048 0.000 0.956 84 E CB 0.827 30.491 29.700 -0.061 0.000 1.116 84 E HN 0.182 8.542 8.360 0.000 0.000 0.507 85 I N -0.401 120.138 120.570 -0.052 0.000 2.957 85 I HA 0.312 4.478 4.170 -0.007 0.000 0.310 85 I C -0.977 175.114 176.117 -0.043 0.000 1.063 85 I CA -0.890 60.389 61.300 -0.035 0.000 1.033 85 I CB 2.158 40.141 38.000 -0.028 0.000 1.230 85 I HN 0.094 8.304 8.210 0.000 0.000 0.447 86 V N 5.230 125.138 119.914 -0.011 0.000 2.808 86 V HA 0.508 4.623 4.120 -0.007 0.000 0.308 86 V C -2.318 173.822 176.094 0.077 0.000 1.099 86 V CA -1.337 60.962 62.300 -0.001 0.000 0.920 86 V CB 2.435 34.235 31.823 -0.040 0.000 1.014 86 V HN 0.672 8.862 8.190 0.000 0.000 0.425 87 P HA 0.255 4.675 4.420 0.000 0.000 0.271 87 P C -0.091 177.330 177.300 0.202 0.000 1.218 87 P CA -0.009 63.213 63.100 0.203 0.000 0.780 87 P CB 1.071 33.004 31.700 0.389 0.000 0.901 88 S N -1.383 114.236 115.700 -0.134 0.000 3.051 88 S HA 0.214 4.680 4.470 -0.007 0.000 0.250 88 S C 0.132 174.441 174.600 -0.485 0.000 0.906 88 S CA -0.199 57.903 58.200 -0.163 0.000 1.234 88 S CB -0.653 62.541 63.200 -0.010 0.000 1.175 88 S HN 0.692 9.002 8.310 0.000 0.000 0.635 89 T N -2.408 111.617 114.554 -0.883 0.000 2.864 89 T HA 0.533 4.879 4.350 -0.007 0.000 0.299 89 T C 0.877 175.014 174.700 -0.937 0.000 1.166 89 T CA -0.049 61.623 62.100 -0.712 0.000 1.007 89 T CB 1.101 69.743 68.868 -0.377 0.000 1.219 89 T HN -0.149 8.091 8.240 0.000 0.000 0.506 90 T N 0.574 114.847 114.554 -0.468 0.000 2.684 90 T HA -0.115 4.231 4.350 -0.007 0.000 0.267 90 T C 1.659 176.258 174.700 -0.168 0.000 1.036 90 T CA 1.796 63.769 62.100 -0.212 0.000 1.148 90 T CB -0.451 68.365 68.868 -0.086 0.000 0.863 90 T HN 0.752 8.992 8.240 0.000 0.000 0.436 91 E N 0.764 120.852 120.200 -0.186 0.000 2.070 91 E HA -0.206 4.140 4.350 -0.007 0.000 0.197 91 E C 2.341 178.836 176.600 -0.176 0.000 1.004 91 E CA 1.415 57.730 56.400 -0.141 0.000 0.805 91 E CB -0.063 29.557 29.700 -0.133 0.000 0.744 91 E HN 0.617 8.977 8.360 0.000 0.000 0.451 92 E N -0.511 119.528 120.200 -0.268 0.000 2.107 92 E HA -0.143 4.202 4.350 -0.007 0.000 0.191 92 E C 1.953 178.482 176.600 -0.119 0.000 0.982 92 E CA 0.696 56.930 56.400 -0.277 0.000 0.809 92 E CB -0.112 29.445 29.700 -0.238 0.000 0.756 92 E HN 0.216 8.576 8.360 0.000 0.000 0.459 93 F N 0.832 120.780 119.950 -0.003 0.000 2.171 93 F HA -0.117 4.406 4.527 -0.007 0.000 0.300 93 F C 2.106 177.988 175.800 0.137 0.000 1.090 93 F CA 0.807 58.855 58.000 0.080 0.000 1.293 93 F CB -0.677 38.337 39.000 0.023 0.000 1.013 93 F HN -0.011 8.289 8.300 0.000 0.000 0.486 94 L N -0.574 120.797 121.223 0.248 0.000 2.291 94 L HA -0.150 4.186 4.340 -0.007 0.000 0.214 94 L C 2.460 179.409 176.870 0.131 0.000 1.120 94 L CA 0.957 55.976 54.840 0.298 0.000 0.799 94 L CB -0.418 41.727 42.059 0.143 0.000 0.925 94 L HN 0.099 8.329 8.230 0.000 0.000 0.446 95 K N -0.032 120.333 120.400 -0.059 0.000 1.980 95 K HA -0.150 4.166 4.320 -0.007 0.000 0.208 95 K C 1.879 178.380 176.600 -0.164 0.000 1.043 95 K CA 1.531 57.674 56.287 -0.239 0.000 0.938 95 K CB -0.170 32.001 32.500 -0.549 0.000 0.724 95 K HN 0.219 8.469 8.250 0.000 0.000 0.438 96 Y N 0.332 120.689 120.300 0.094 0.000 2.546 96 Y HA -0.045 4.500 4.550 -0.007 0.000 0.287 96 Y C 0.803 176.780 175.900 0.129 0.000 1.158 96 Y CA -0.429 57.765 58.100 0.156 0.000 1.307 96 Y CB -0.095 38.455 38.460 0.150 0.000 1.036 96 Y HN 0.250 8.530 8.280 0.000 0.000 0.532 97 H N 0.797 119.957 119.070 0.151 0.000 2.646 97 H HA 0.312 4.864 4.556 -0.007 0.000 0.325 97 H C -0.709 174.569 175.328 -0.083 0.000 1.075 97 H CA -0.388 55.690 56.048 0.049 0.000 1.421 97 H CB 0.841 30.651 29.762 0.080 0.000 1.461 97 H HN -0.040 8.240 8.280 0.000 0.000 0.525 98 K N 4.187 124.483 120.400 -0.173 0.000 2.318 98 K HA 0.217 4.533 4.320 -0.007 0.000 0.249 98 K C -0.015 176.560 176.600 -0.041 0.000 0.942 98 K CA -0.858 55.180 56.287 -0.416 0.000 0.808 98 K CB 1.887 33.922 32.500 -0.776 0.000 1.189 98 K HN 0.882 9.132 8.250 0.000 0.000 0.428 99 F N -0.987 119.050 119.950 0.144 0.000 2.497 99 F HA -0.329 4.193 4.527 -0.007 0.000 0.674 99 F C 0.674 176.559 175.800 0.141 0.000 0.491 99 F CA 0.312 58.399 58.000 0.144 0.000 0.976 99 F CB -1.059 38.043 39.000 0.170 0.000 1.792 99 F HN 0.408 8.708 8.300 0.000 0.000 0.264 100 I N 2.299 123.076 120.570 0.346 0.000 2.379 100 I HA 0.300 4.466 4.170 -0.007 0.000 0.290 100 I C 0.560 176.780 176.117 0.171 0.000 1.063 100 I CA 0.587 62.009 61.300 0.204 0.000 1.351 100 I CB 1.023 39.096 38.000 0.122 0.000 1.410 100 I HN 0.140 8.351 8.210 0.000 0.000 0.505 101 T N 2.707 117.336 114.554 0.125 0.000 2.812 101 T HA 0.444 4.790 4.350 -0.007 0.000 0.282 101 T C -0.259 174.460 174.700 0.033 0.000 0.990 101 T CA -0.955 61.205 62.100 0.101 0.000 0.960 101 T CB 1.105 70.050 68.868 0.128 0.000 0.948 101 T HN 0.500 8.740 8.240 0.000 0.000 0.438 102 E N 2.098 122.295 120.200 -0.006 0.000 2.408 102 E HA 0.330 4.676 4.350 -0.007 0.000 0.259 102 E C -0.656 175.914 176.600 -0.051 0.000 1.110 102 E CA -0.428 55.943 56.400 -0.048 0.000 0.929 102 E CB 0.526 30.194 29.700 -0.053 0.000 0.971 102 E HN 0.650 9.010 8.360 0.000 0.000 0.438 103 D N 1.426 121.749 120.400 -0.128 0.000 2.452 103 D HA 0.106 4.742 4.640 -0.007 0.000 0.226 103 D C -2.159 173.998 176.300 -0.239 0.000 1.366 103 D CA -1.690 52.222 54.000 -0.146 0.000 0.986 103 D CB 1.415 42.120 40.800 -0.159 0.000 1.420 103 D HN 0.062 8.432 8.370 0.000 0.000 0.583 104 P HA -0.095 4.325 4.420 0.000 0.000 0.222 104 P C 0.831 177.970 177.300 -0.269 0.000 1.147 104 P CA 0.685 63.666 63.100 -0.198 0.000 0.790 104 P CB 0.568 32.206 31.700 -0.102 0.000 0.780 105 K N -0.058 120.233 120.400 -0.182 0.000 2.439 105 K HA 0.072 4.387 4.320 -0.007 0.000 0.197 105 K C 2.101 178.454 176.600 -0.411 0.000 1.041 105 K CA 0.811 57.047 56.287 -0.085 0.000 0.970 105 K CB -0.556 32.007 32.500 0.104 0.000 0.773 105 K HN 0.038 8.288 8.250 0.000 0.000 0.479 106 A N 2.184 124.491 122.820 -0.855 0.000 2.019 106 A HA -0.220 4.095 4.320 -0.007 0.000 0.219 106 A C 1.884 178.937 177.584 -0.886 0.000 1.164 106 A CA 1.532 52.627 52.037 -1.570 0.000 0.644 106 A CB -0.442 17.647 19.000 -1.519 0.000 0.805 106 A HN 0.424 8.574 8.150 0.000 0.000 0.449 107 K N -1.388 118.520 120.400 -0.820 0.000 2.211 107 K HA -0.193 4.123 4.320 -0.007 0.000 0.204 107 K C 0.897 177.086 176.600 -0.685 0.000 1.047 107 K CA 1.740 57.465 56.287 -0.938 0.000 0.935 107 K CB -0.512 30.895 32.500 -1.821 0.000 0.728 107 K HN 0.506 8.756 8.250 0.000 0.000 0.452 108 Y N -0.483 119.704 120.300 -0.189 0.000 2.466 108 Y HA 0.165 4.711 4.550 -0.007 0.000 0.272 108 Y C 0.405 176.424 175.900 0.198 0.000 1.169 108 Y CA -0.997 57.111 58.100 0.013 0.000 1.285 108 Y CB -0.159 38.318 38.460 0.029 0.000 1.078 108 Y HN 0.041 8.321 8.280 0.000 0.000 0.523 109 W N 0.403 121.731 121.300 0.047 0.000 2.129 109 W HA 0.330 4.987 4.660 -0.004 0.000 0.349 109 W C 0.956 177.507 176.519 0.053 0.000 1.279 109 W CA -1.359 56.014 57.345 0.046 0.000 1.306 109 W CB 0.068 29.536 29.460 0.014 0.000 1.140 109 W HN -0.326 7.854 8.180 0.000 0.000 0.613 110 T N 1.117 115.837 114.554 0.277 0.000 2.828 110 T HA 0.008 4.354 4.350 -0.007 0.000 0.290 110 T C 0.920 175.733 174.700 0.189 0.000 1.019 110 T CA -0.256 61.947 62.100 0.172 0.000 1.031 110 T CB 0.620 69.545 68.868 0.095 0.000 1.001 110 T HN 0.213 8.453 8.240 0.000 0.000 0.531 111 D N 1.585 122.074 120.400 0.149 0.000 2.144 111 D HA -0.031 4.605 4.640 -0.007 0.000 0.200 111 D C 1.988 178.378 176.300 0.150 0.000 0.978 111 D CA 1.144 55.236 54.000 0.154 0.000 0.833 111 D CB 0.036 40.910 40.800 0.123 0.000 0.961 111 D HN 0.564 8.934 8.370 0.000 0.000 0.470 112 E N 0.632 120.901 120.200 0.114 0.000 2.110 112 E HA -0.117 4.229 4.350 -0.007 0.000 0.193 112 E C 1.568 178.220 176.600 0.086 0.000 0.988 112 E CA 0.914 57.371 56.400 0.095 0.000 0.804 112 E CB -0.087 29.655 29.700 0.070 0.000 0.745 112 E HN 0.263 8.623 8.360 0.000 0.000 0.458 113 D N 0.053 120.491 120.400 0.062 0.000 2.117 113 D HA -0.092 4.543 4.640 -0.007 0.000 0.198 113 D C 2.033 178.393 176.300 0.100 0.000 0.982 113 D CA 0.615 54.598 54.000 -0.028 0.000 0.828 113 D CB -0.202 40.465 40.800 -0.223 0.000 0.967 113 D HN 0.159 8.529 8.370 0.000 0.000 0.464 114 L N 0.160 121.552 121.223 0.282 0.000 2.043 114 L HA -0.217 4.119 4.340 -0.007 0.000 0.212 114 L C 2.366 179.362 176.870 0.210 0.000 1.075 114 L CA 0.628 55.653 54.840 0.308 0.000 0.752 114 L CB -0.284 41.970 42.059 0.326 0.000 0.891 114 L HN 0.064 8.294 8.230 0.000 0.000 0.432 115 L N -0.259 121.095 121.223 0.219 0.000 2.005 115 L HA -0.221 4.115 4.340 -0.007 0.000 0.207 115 L C 2.490 179.431 176.870 0.117 0.000 1.072 115 L CA 1.654 56.621 54.840 0.212 0.000 0.744 115 L CB -0.739 41.405 42.059 0.141 0.000 0.895 115 L HN 0.202 8.432 8.230 0.000 0.000 0.433 116 E N -0.720 119.521 120.200 0.068 0.000 2.114 116 E HA -0.288 4.058 4.350 -0.007 0.000 0.199 116 E C 2.267 178.876 176.600 0.016 0.000 1.008 116 E CA 1.853 58.278 56.400 0.041 0.000 0.810 116 E CB -0.086 29.660 29.700 0.077 0.000 0.739 116 E HN 0.578 8.938 8.360 0.000 0.000 0.456 117 S N -0.907 114.781 115.700 -0.020 0.000 2.423 117 S HA -0.107 4.359 4.470 -0.007 0.000 0.231 117 S C 1.667 176.178 174.600 -0.149 0.000 1.014 117 S CA 0.667 58.818 58.200 -0.081 0.000 0.965 117 S CB -0.318 62.875 63.200 -0.012 0.000 0.785 117 S HN 0.217 8.527 8.310 0.000 0.000 0.495 118 F N 1.331 121.362 119.950 0.135 0.000 2.335 118 F HA 0.385 4.908 4.527 -0.007 0.000 0.296 118 F C 2.030 177.940 175.800 0.183 0.000 1.091 118 F CA -0.467 57.652 58.000 0.199 0.000 1.399 118 F CB -0.554 38.548 39.000 0.171 0.000 1.067 118 F HN 0.163 8.463 8.300 0.000 0.000 0.520 119 I N -0.637 120.010 120.570 0.129 0.000 2.127 119 I HA -0.303 3.863 4.170 -0.007 0.000 0.241 119 I C 2.355 178.503 176.117 0.052 0.000 1.075 119 I CA 1.152 62.423 61.300 -0.049 0.000 1.334 119 I CB -0.627 37.112 38.000 -0.435 0.000 1.040 119 I HN -0.112 8.098 8.210 0.000 0.000 0.405 120 V N 0.613 120.560 119.914 0.056 0.000 2.287 120 V HA -0.332 3.784 4.120 -0.007 0.000 0.248 120 V C 2.117 178.265 176.094 0.090 0.000 1.053 120 V CA 2.135 64.480 62.300 0.075 0.000 1.027 120 V CB -0.655 31.212 31.823 0.074 0.000 0.646 120 V HN 0.414 8.604 8.190 0.000 0.000 0.447 121 D N -0.592 119.882 120.400 0.123 0.000 2.133 121 D HA -0.181 4.454 4.640 -0.007 0.000 0.195 121 D C 1.923 178.243 176.300 0.034 0.000 0.997 121 D CA 1.589 55.645 54.000 0.093 0.000 0.840 121 D CB -0.246 40.620 40.800 0.111 0.000 0.947 121 D HN 0.481 8.851 8.370 0.000 0.000 0.452 122 F N 0.677 120.670 119.950 0.072 0.000 2.335 122 F HA 0.030 4.552 4.527 -0.008 0.000 0.296 122 F C 2.573 178.382 175.800 0.014 0.000 1.091 122 F CA 0.530 58.555 58.000 0.041 0.000 1.399 122 F CB -0.075 38.916 39.000 -0.014 0.000 1.067 122 F HN -0.099 8.201 8.300 0.000 0.000 0.520 123 Q N -0.136 119.753 119.800 0.149 0.000 2.135 123 Q HA -0.199 4.136 4.340 -0.007 0.000 0.204 123 Q C 2.458 178.461 176.000 0.005 0.000 0.981 123 Q CA 1.482 57.321 55.803 0.061 0.000 0.856 123 Q CB -0.389 28.369 28.738 0.033 0.000 0.902 123 Q HN 0.439 8.709 8.270 0.000 0.000 0.425 124 A N 0.825 123.631 122.820 -0.025 0.000 1.930 124 A HA -0.205 4.111 4.320 -0.007 0.000 0.217 124 A C 1.914 179.530 177.584 0.054 0.000 1.175 124 A CA 1.121 53.086 52.037 -0.120 0.000 0.627 124 A CB -0.325 18.592 19.000 -0.138 0.000 0.815 124 A HN 0.335 8.485 8.150 0.000 0.000 0.443 125 Q N -0.272 119.600 119.800 0.120 0.000 2.170 125 Q HA -0.163 4.173 4.340 -0.007 0.000 0.203 125 Q C 1.582 177.723 176.000 0.235 0.000 0.976 125 Q CA 1.285 57.218 55.803 0.216 0.000 0.858 125 Q CB -0.232 28.548 28.738 0.070 0.000 0.907 125 Q HN 0.584 8.854 8.270 0.000 0.000 0.433 126 N N 0.533 119.327 118.700 0.156 0.000 2.244 126 N HA -0.082 4.653 4.740 -0.007 0.000 0.183 126 N C 1.642 177.206 175.510 0.090 0.000 1.016 126 N CA 1.020 54.178 53.050 0.180 0.000 0.866 126 N CB -0.122 38.486 38.487 0.202 0.000 0.980 126 N HN 0.273 8.653 8.380 0.000 0.000 0.430 127 M N -0.494 119.076 119.600 -0.050 0.000 2.088 127 M HA -0.209 4.266 4.480 -0.007 0.000 0.256 127 M C 1.460 177.619 176.300 -0.236 0.000 1.071 127 M CA 1.767 56.926 55.300 -0.235 0.000 1.097 127 M CB -0.542 31.762 32.600 -0.494 0.000 1.315 127 M HN 0.067 8.357 8.290 0.000 0.000 0.406 128 F N -0.519 119.497 119.950 0.109 0.000 2.367 128 F HA -0.011 4.512 4.527 -0.007 0.000 0.298 128 F C 2.093 177.949 175.800 0.094 0.000 1.094 128 F CA 0.602 58.676 58.000 0.124 0.000 1.409 128 F CB -0.397 38.709 39.000 0.178 0.000 1.064 128 F HN 0.052 8.352 8.300 0.000 0.000 0.528 129 I N -0.633 120.089 120.570 0.252 0.000 2.233 129 I HA -0.239 3.927 4.170 -0.007 0.000 0.243 129 I C 2.403 178.561 176.117 0.068 0.000 1.093 129 I CA 1.174 62.577 61.300 0.171 0.000 1.380 129 I CB -0.685 37.437 38.000 0.203 0.000 1.067 129 I HN 0.032 8.242 8.210 0.000 0.000 0.413 130 T N 0.851 115.413 114.554 0.013 0.000 2.594 130 T HA -0.294 4.051 4.350 -0.007 0.000 0.266 130 T C 2.007 176.680 174.700 -0.046 0.000 1.070 130 T CA 1.797 63.839 62.100 -0.096 0.000 1.166 130 T CB -0.301 68.517 68.868 -0.083 0.000 0.862 130 T HN 0.300 8.540 8.240 0.000 0.000 0.436 131 R N 0.644 121.150 120.500 0.011 0.000 2.096 131 R HA 0.042 4.378 4.340 -0.007 0.000 0.235 131 R C 2.776 179.102 176.300 0.044 0.000 1.127 131 R CA 1.254 57.374 56.100 0.033 0.000 0.968 131 R CB -0.485 29.859 30.300 0.074 0.000 0.861 131 R HN 0.400 8.670 8.270 0.000 0.000 0.440 132 A N 1.216 124.078 122.820 0.070 0.000 1.969 132 A HA -0.113 4.203 4.320 -0.007 0.000 0.218 132 A C 2.119 179.710 177.584 0.011 0.000 1.169 132 A CA 1.047 53.113 52.037 0.050 0.000 0.635 132 A CB -0.387 18.656 19.000 0.070 0.000 0.810 132 A HN 0.160 8.310 8.150 0.000 0.000 0.445 133 I N -0.293 120.272 120.570 -0.008 0.000 2.142 133 I HA -0.282 3.884 4.170 -0.007 0.000 0.240 133 I C 2.465 178.567 176.117 -0.025 0.000 1.078 133 I CA 1.585 62.870 61.300 -0.026 0.000 1.343 133 I CB -0.277 37.682 38.000 -0.069 0.000 1.046 133 I HN 0.254 8.464 8.210 0.000 0.000 0.405 134 K N 0.778 121.160 120.400 -0.030 0.000 2.009 134 K HA -0.179 4.137 4.320 -0.007 0.000 0.210 134 K C 2.097 178.686 176.600 -0.018 0.000 1.049 134 K CA 1.470 57.743 56.287 -0.023 0.000 0.929 134 K CB -0.465 32.022 32.500 -0.022 0.000 0.714 134 K HN 0.306 8.556 8.250 0.000 0.000 0.440 135 L N 0.475 121.691 121.223 -0.011 0.000 2.191 135 L HA -0.157 4.179 4.340 -0.007 0.000 0.212 135 L C 2.552 179.400 176.870 -0.037 0.000 1.103 135 L CA 0.897 55.727 54.840 -0.015 0.000 0.769 135 L CB -0.551 41.508 42.059 0.000 0.000 0.908 135 L HN 0.209 8.439 8.230 0.000 0.000 0.438 136 A N 0.320 123.117 122.820 -0.038 0.000 1.930 136 A HA -0.152 4.164 4.320 -0.007 0.000 0.215 136 A C 2.007 179.533 177.584 -0.097 0.000 1.176 136 A CA 1.613 53.612 52.037 -0.062 0.000 0.632 136 A CB -0.563 18.414 19.000 -0.039 0.000 0.819 136 A HN 0.452 8.602 8.150 0.000 0.000 0.445 137 N N -0.390 118.274 118.700 -0.060 0.000 2.142 137 N HA -0.147 4.589 4.740 -0.007 0.000 0.186 137 N C 1.814 177.279 175.510 -0.075 0.000 1.023 137 N CA 1.440 54.460 53.050 -0.051 0.000 0.852 137 N CB -0.150 38.340 38.487 0.005 0.000 0.998 137 N HN 0.583 8.963 8.380 0.000 0.000 0.424 138 K N 1.658 122.026 120.400 -0.054 0.000 2.001 138 K HA -0.185 4.131 4.320 -0.007 0.000 0.214 138 K C 1.222 177.772 176.600 -0.084 0.000 1.050 138 K CA 1.551 57.808 56.287 -0.049 0.000 0.934 138 K CB 0.008 32.488 32.500 -0.033 0.000 0.718 138 K HN 0.195 8.445 8.250 0.000 0.000 0.443 139 E N 0.317 120.454 120.200 -0.104 0.000 2.516 139 E HA -0.096 4.249 4.350 -0.007 0.000 0.199 139 E C -0.494 175.975 176.600 -0.218 0.000 1.069 139 E CA 0.446 56.770 56.400 -0.127 0.000 0.876 139 E CB 0.111 29.748 29.700 -0.105 0.000 0.843 139 E HN 0.338 8.698 8.360 0.000 0.000 0.530 140 E N 0.347 120.351 120.200 -0.327 0.000 2.791 140 E HA -0.202 4.144 4.350 -0.007 0.000 0.271 140 E C -0.774 175.277 176.600 -0.916 0.000 1.044 140 E CA 0.378 56.347 56.400 -0.719 0.000 0.814 140 E CB -0.741 28.669 29.700 -0.483 0.000 1.400 140 E HN 0.203 8.563 8.360 0.000 0.000 0.423 141 K N 0.512 120.603 120.400 -0.515 0.000 2.183 141 K HA 0.155 4.471 4.320 -0.007 0.000 0.272 141 K C 0.412 176.856 176.600 -0.259 0.000 1.113 141 K CA -0.031 56.059 56.287 -0.328 0.000 0.949 141 K CB 0.083 32.488 32.500 -0.159 0.000 1.365 141 K HN 0.105 8.355 8.250 0.000 0.000 0.420 142 F N 0.838 120.792 119.950 0.007 0.000 2.163 142 F HA -0.150 4.373 4.527 -0.007 0.000 0.297 142 F C 2.444 178.253 175.800 0.014 0.000 1.094 142 F CA 0.968 58.973 58.000 0.010 0.000 1.290 142 F CB -0.198 38.808 39.000 0.010 0.000 1.017 142 F HN 0.528 8.828 8.300 0.000 0.000 0.483 143 A N 0.229 123.174 122.820 0.208 0.000 1.898 143 A HA -0.143 4.173 4.320 -0.007 0.000 0.216 143 A C 2.064 179.700 177.584 0.088 0.000 1.181 143 A CA 1.337 53.452 52.037 0.130 0.000 0.620 143 A CB -1.050 18.014 19.000 0.105 0.000 0.819 143 A HN 0.340 8.490 8.150 0.000 0.000 0.442 144 L N 0.018 121.276 121.223 0.058 0.000 2.013 144 L HA -0.164 4.172 4.340 -0.007 0.000 0.212 144 L C 2.657 179.549 176.870 0.038 0.000 1.073 144 L CA 2.375 57.235 54.840 0.033 0.000 0.753 144 L CB -0.871 41.188 42.059 -0.001 0.000 0.890 144 L HN 0.362 8.592 8.230 0.000 0.000 0.432 145 A N -0.568 122.276 122.820 0.040 0.000 1.877 145 A HA -0.117 4.199 4.320 -0.007 0.000 0.216 145 A C 2.479 180.098 177.584 0.059 0.000 1.186 145 A CA 2.075 54.136 52.037 0.040 0.000 0.620 145 A CB -1.317 17.710 19.000 0.045 0.000 0.822 145 A HN 0.604 8.754 8.150 0.000 0.000 0.443 146 A N -0.439 122.430 122.820 0.082 0.000 1.892 146 A HA 0.030 4.345 4.320 -0.007 0.000 0.218 146 A C 2.469 180.102 177.584 0.082 0.000 1.188 146 A CA 2.226 54.313 52.037 0.083 0.000 0.631 146 A CB -1.563 17.490 19.000 0.089 0.000 0.822 146 A HN 0.824 8.974 8.150 0.000 0.000 0.447 147 G N -0.672 108.177 108.800 0.081 0.000 2.476 147 G HA2 -0.169 3.786 3.960 -0.007 0.000 0.218 147 G HA3 -0.169 3.786 3.960 -0.007 0.000 0.218 147 G C 1.460 176.398 174.900 0.064 0.000 1.164 147 G CA 1.439 46.594 45.100 0.092 0.000 0.768 147 G HN 0.410 8.700 8.290 0.000 0.000 0.560 148 V N 0.400 120.341 119.914 0.045 0.000 2.809 148 V HA -0.082 4.034 4.120 -0.007 0.000 0.256 148 V C 2.912 179.037 176.094 0.051 0.000 1.080 148 V CA 0.930 63.247 62.300 0.028 0.000 1.102 148 V CB 0.140 31.980 31.823 0.028 0.000 0.705 148 V HN 0.236 8.426 8.190 0.000 0.000 0.475 149 V N 0.213 120.167 119.914 0.066 0.000 2.343 149 V HA -0.243 3.873 4.120 -0.007 0.000 0.247 149 V C 2.461 178.640 176.094 0.140 0.000 1.051 149 V CA 1.966 64.331 62.300 0.108 0.000 1.036 149 V CB -0.572 31.304 31.823 0.089 0.000 0.654 149 V HN 0.622 8.812 8.190 0.000 0.000 0.451 150 E N -0.138 120.118 120.200 0.094 0.000 2.085 150 E HA -0.273 4.073 4.350 -0.007 0.000 0.194 150 E C 2.162 178.748 176.600 -0.023 0.000 0.994 150 E CA 1.484 57.936 56.400 0.088 0.000 0.801 150 E CB -0.286 29.498 29.700 0.140 0.000 0.743 150 E HN 0.424 8.784 8.360 0.000 0.000 0.453 151 L N 0.570 121.674 121.223 -0.198 0.000 2.046 151 L HA -0.212 4.124 4.340 -0.007 0.000 0.208 151 L C 2.269 179.126 176.870 -0.022 0.000 1.077 151 L CA 1.729 56.335 54.840 -0.390 0.000 0.747 151 L CB -0.756 41.086 42.059 -0.361 0.000 0.896 151 L HN 0.155 8.385 8.230 0.000 0.000 0.432 152 Y N -0.102 120.177 120.300 -0.034 0.000 2.128 152 Y HA -0.153 4.393 4.550 -0.007 0.000 0.284 152 Y C 2.252 178.177 175.900 0.042 0.000 1.154 152 Y CA 1.957 60.071 58.100 0.022 0.000 1.149 152 Y CB -0.677 37.796 38.460 0.022 0.000 0.976 152 Y HN 0.217 8.497 8.280 0.000 0.000 0.505 153 G N -0.665 108.118 108.800 -0.028 0.000 2.446 153 G HA2 -0.380 3.575 3.960 -0.007 0.000 0.217 153 G HA3 -0.380 3.575 3.960 -0.007 0.000 0.217 153 G C 1.484 176.360 174.900 -0.039 0.000 1.168 153 G CA 1.091 46.145 45.100 -0.077 0.000 0.771 153 G HN 0.582 8.872 8.290 0.000 0.000 0.551 154 Y N 2.296 122.558 120.300 -0.062 0.000 2.097 154 Y HA -0.179 4.367 4.550 -0.006 0.000 0.282 154 Y C 2.681 178.554 175.900 -0.044 0.000 1.152 154 Y CA 2.022 60.119 58.100 -0.005 0.000 1.136 154 Y CB -0.532 37.974 38.460 0.077 0.000 0.975 154 Y HN 0.158 8.438 8.280 0.000 0.000 0.498 155 N N 0.133 118.759 118.700 -0.124 0.000 2.094 155 N HA -0.184 4.552 4.740 -0.007 0.000 0.191 155 N C 1.741 177.103 175.510 -0.248 0.000 1.023 155 N CA 1.458 54.436 53.050 -0.120 0.000 0.857 155 N CB -0.703 37.855 38.487 0.119 0.000 1.013 155 N HN 0.321 8.701 8.380 0.000 0.000 0.426 156 L N 1.485 122.541 121.223 -0.277 0.000 2.046 156 L HA -0.123 4.212 4.340 -0.007 0.000 0.208 156 L C 2.426 179.163 176.870 -0.221 0.000 1.077 156 L CA 1.518 56.198 54.840 -0.266 0.000 0.747 156 L CB -1.017 40.829 42.059 -0.355 0.000 0.896 156 L HN 0.351 8.581 8.230 0.000 0.000 0.432 157 Q N -1.122 118.543 119.800 -0.225 0.000 2.119 157 Q HA -0.146 4.190 4.340 -0.007 0.000 0.201 157 Q C 2.054 177.900 176.000 -0.257 0.000 0.972 157 Q CA 1.848 57.538 55.803 -0.188 0.000 0.847 157 Q CB -0.060 28.612 28.738 -0.110 0.000 0.903 157 Q HN 0.335 8.605 8.270 0.000 0.000 0.433 158 V N 1.357 120.994 119.914 -0.463 0.000 2.295 158 V HA -0.289 3.827 4.120 -0.007 0.000 0.246 158 V C 2.409 178.255 176.094 -0.414 0.000 1.049 158 V CA 1.821 63.795 62.300 -0.542 0.000 1.024 158 V CB -0.532 30.666 31.823 -1.041 0.000 0.648 158 V HN 0.380 8.570 8.190 0.000 0.000 0.447 159 I N -0.302 120.043 120.570 -0.375 0.000 2.151 159 I HA -0.327 3.838 4.170 -0.007 0.000 0.243 159 I C 2.733 178.734 176.117 -0.192 0.000 1.080 159 I CA 2.138 63.287 61.300 -0.252 0.000 1.339 159 I CB -0.412 37.490 38.000 -0.163 0.000 1.039 159 I HN 0.197 8.407 8.210 0.000 0.000 0.409 160 R N 0.799 121.209 120.500 -0.150 0.000 2.092 160 R HA -0.143 4.193 4.340 -0.007 0.000 0.231 160 R C 2.059 178.316 176.300 -0.073 0.000 1.119 160 R CA 1.512 57.557 56.100 -0.091 0.000 0.970 160 R CB -0.047 30.211 30.300 -0.070 0.000 0.864 160 R HN 0.382 8.652 8.270 0.000 0.000 0.440 161 N N 0.405 119.062 118.700 -0.073 0.000 2.207 161 N HA -0.098 4.637 4.740 -0.007 0.000 0.182 161 N C 1.779 177.295 175.510 0.009 0.000 1.020 161 N CA 0.976 54.012 53.050 -0.024 0.000 0.858 161 N CB -0.210 38.289 38.487 0.021 0.000 0.991 161 N HN 0.215 8.595 8.380 0.000 0.000 0.427 162 L N 0.757 121.968 121.223 -0.020 0.000 2.042 162 L HA -0.146 4.189 4.340 -0.007 0.000 0.210 162 L C 2.369 179.205 176.870 -0.056 0.000 1.076 162 L CA 1.350 56.174 54.840 -0.026 0.000 0.749 162 L CB -0.606 41.388 42.059 -0.109 0.000 0.893 162 L HN 0.141 8.371 8.230 0.000 0.000 0.432 163 A N 0.289 123.039 122.820 -0.116 0.000 1.898 163 A HA -0.102 4.213 4.320 -0.007 0.000 0.216 163 A C 2.405 180.009 177.584 0.035 0.000 1.181 163 A CA 1.639 53.625 52.037 -0.085 0.000 0.620 163 A CB -1.171 17.779 19.000 -0.084 0.000 0.819 163 A HN 0.444 8.594 8.150 0.000 0.000 0.442 164 G N -0.595 108.213 108.800 0.014 0.000 2.432 164 G HA2 -0.253 3.703 3.960 -0.007 0.000 0.219 164 G HA3 -0.253 3.703 3.960 -0.007 0.000 0.219 164 G C 1.248 176.165 174.900 0.027 0.000 1.135 164 G CA 1.335 46.448 45.100 0.023 0.000 0.767 164 G HN 0.501 8.791 8.290 0.000 0.000 0.550 165 D N -0.076 120.341 120.400 0.028 0.000 2.269 165 D HA 0.033 4.668 4.640 -0.007 0.000 0.208 165 D C 2.381 178.712 176.300 0.052 0.000 0.963 165 D CA 0.277 54.299 54.000 0.036 0.000 0.864 165 D CB -0.096 40.737 40.800 0.055 0.000 0.936 165 D HN 0.305 8.675 8.370 0.000 0.000 0.505 166 L N -1.205 120.058 121.223 0.066 0.000 2.558 166 L HA 0.226 4.562 4.340 -0.007 0.000 0.225 166 L C 1.371 178.293 176.870 0.087 0.000 1.128 166 L CA 0.493 55.387 54.840 0.090 0.000 0.868 166 L CB 0.029 42.169 42.059 0.136 0.000 1.006 166 L HN 0.207 8.437 8.230 0.000 0.000 0.454 167 G N 0.815 109.658 108.800 0.072 0.000 2.142 167 G HA2 -0.219 3.737 3.960 -0.007 0.000 0.225 167 G HA3 -0.219 3.737 3.960 -0.007 0.000 0.225 167 G C -0.033 174.910 174.900 0.071 0.000 1.015 167 G CA -0.211 44.924 45.100 0.058 0.000 0.716 167 G HN 0.347 8.637 8.290 0.000 0.000 0.508 168 K N 0.147 120.611 120.400 0.107 0.000 2.426 168 K HA 0.658 4.973 4.320 -0.007 0.000 0.251 168 K C 0.445 177.121 176.600 0.126 0.000 0.941 168 K CA -0.210 56.153 56.287 0.126 0.000 0.808 168 K CB 2.090 34.717 32.500 0.211 0.000 1.265 168 K HN 0.445 8.694 8.250 0.000 0.000 0.432 169 S N -0.105 115.653 115.700 0.096 0.000 2.645 169 S HA 0.105 4.571 4.470 -0.007 0.000 0.266 169 S C 1.122 175.807 174.600 0.142 0.000 1.258 169 S CA -0.699 57.551 58.200 0.085 0.000 0.990 169 S CB 1.322 64.552 63.200 0.050 0.000 0.967 169 S HN 0.374 8.684 8.310 0.000 0.000 0.556 170 V N 1.588 121.569 119.914 0.110 0.000 2.667 170 V HA -0.004 4.112 4.120 -0.007 0.000 0.252 170 V C 2.724 178.914 176.094 0.159 0.000 1.065 170 V CA 1.988 64.375 62.300 0.145 0.000 1.083 170 V CB -1.405 30.454 31.823 0.061 0.000 0.692 170 V HN 1.015 9.205 8.190 0.000 0.000 0.468 171 A N 0.525 123.399 122.820 0.090 0.000 1.870 171 A HA -0.374 3.942 4.320 -0.007 0.000 0.219 171 A C 1.825 179.432 177.584 0.038 0.000 1.224 171 A CA 2.676 54.745 52.037 0.054 0.000 0.650 171 A CB -1.185 17.829 19.000 0.024 0.000 0.836 171 A HN 0.612 8.762 8.150 0.000 0.000 0.454 172 D N -0.368 120.038 120.400 0.009 0.000 2.204 172 D HA -0.151 4.485 4.640 -0.007 0.000 0.189 172 D C 0.834 177.020 176.300 -0.189 0.000 1.006 172 D CA 1.489 55.407 54.000 -0.136 0.000 0.855 172 D CB -0.620 40.032 40.800 -0.247 0.000 0.946 172 D HN 0.509 8.879 8.370 0.000 0.000 0.448 173 F N 0.000 119.948 119.950 -0.004 0.000 2.286 173 F HA 0.000 4.525 4.527 -0.003 0.000 0.279 173 F CA 0.000 57.998 58.000 -0.003 0.000 1.383 173 F CB 0.000 39.002 39.000 0.003 0.000 1.145 173 F HN 0.000 8.300 8.300 0.000 0.000 0.574