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 1m6i_1_A DATA FIRST_RESID 128 DATA SEQUENCE APSHVPFLLI GGGTAAFAAA RSIRARDPGA RVLIVSEDPE LPYMRPPLSK DATA SEQUENCE ELWFSXXPNV TKTLRFKQWN GKERSIYFQP PSFYVSAQDL PHIENGGVAV DATA SEQUENCE LTGKKVVQLD VRDNMVKLND GSQITYEKCL IATGGTPRSL SAIDRAGAEV DATA SEQUENCE KSRTTLFRKI GDFRSLEKIS REVKSITIIG GGFLGSELAC ALGRKARALG DATA SEQUENCE TEVIQLFPEK GNMGKILPEY LSNWTMEKVR REGVKVMPNA IVQSVGVSSG DATA SEQUENCE KLLIKLKDGR KVETDHIVAA VGLEPNVELA KTGGLEIDSD FGGFRVNAEL DATA SEQUENCE QARSNIWVAG DAACFYDIKL GRRRVEHHDH AVVSGRLAGE NMTGAAKPYW DATA SEQUENCE HQSMFWSDLG PDVGYEAIGL VDSSLPTVGV FAKATAQDNP KSATEQSGTG DATA SEQUENCE IRSESETESE ASXXXXXXXX XXXXXXXXXX XXYGKGVIFY LRDKVVVGIV DATA SEQUENCE LWNIFNRMPI ARKIIKDGEQ HEDLNEVAKL 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 128 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 128 A C 0.000 177.606 177.584 0.037 0.000 1.274 128 A CA 0.000 52.056 52.037 0.031 0.000 0.836 128 A CB 0.000 19.018 19.000 0.031 0.000 0.831 129 P HA 0.325 4.745 4.420 -0.000 0.000 0.272 129 P C 1.165 178.500 177.300 0.058 0.000 1.223 129 P CA 0.152 63.281 63.100 0.047 0.000 0.784 129 P CB 0.983 32.706 31.700 0.038 0.000 0.923 130 S N -0.569 115.175 115.700 0.074 0.000 2.453 130 S HA -0.068 4.404 4.470 0.002 0.000 0.231 130 S C 0.647 175.329 174.600 0.137 0.000 1.005 130 S CA 0.706 58.956 58.200 0.085 0.000 0.949 130 S CB -0.479 62.765 63.200 0.074 0.000 0.774 130 S HN 0.713 9.023 8.310 -0.000 0.000 0.510 131 H N -1.029 118.046 119.070 0.009 0.000 3.046 131 H HA 0.651 5.208 4.556 0.002 0.000 0.363 131 H C -2.127 173.199 175.328 -0.003 0.000 1.203 131 H CA -0.536 55.512 56.048 0.001 0.000 1.169 131 H CB 2.051 31.802 29.762 -0.018 0.000 1.851 131 H HN 0.121 8.401 8.280 -0.000 0.000 0.546 132 V N 5.631 125.205 119.914 -0.567 0.000 2.851 132 V HA 0.254 4.375 4.120 0.002 0.000 0.307 132 V C -2.225 173.567 176.094 -0.503 0.000 1.129 132 V CA -1.807 60.290 62.300 -0.339 0.000 0.932 132 V CB 2.554 34.305 31.823 -0.120 0.000 1.024 132 V HN 0.626 8.816 8.190 -0.000 0.000 0.426 133 P HA 0.029 4.449 4.420 -0.000 0.000 0.215 133 P C -0.413 176.551 177.300 -0.560 0.000 1.157 133 P CA 1.352 64.195 63.100 -0.428 0.000 0.863 133 P CB 0.140 31.594 31.700 -0.409 0.000 0.787 134 F N -0.885 119.022 119.950 -0.072 0.000 2.427 134 F HA 0.425 4.953 4.527 0.002 0.000 0.348 134 F C -0.013 175.734 175.800 -0.089 0.000 1.125 134 F CA -0.979 56.973 58.000 -0.079 0.000 0.989 134 F CB 1.003 39.941 39.000 -0.104 0.000 1.165 134 F HN -0.277 8.023 8.300 -0.000 0.000 0.442 135 L N 5.136 126.383 121.223 0.040 0.000 2.325 135 L HA 0.654 4.995 4.340 0.002 0.000 0.281 135 L C -1.617 175.207 176.870 -0.076 0.000 1.004 135 L CA -0.585 54.233 54.840 -0.036 0.000 0.823 135 L CB 0.937 42.941 42.059 -0.092 0.000 1.236 135 L HN 0.393 8.623 8.230 -0.000 0.000 0.415 136 L N 6.749 127.942 121.223 -0.051 0.000 2.280 136 L HA 0.478 4.819 4.340 0.002 0.000 0.287 136 L C -0.278 176.557 176.870 -0.059 0.000 1.023 136 L CA -0.091 54.709 54.840 -0.066 0.000 0.819 136 L CB 1.298 43.322 42.059 -0.058 0.000 1.212 136 L HN 0.493 8.723 8.230 -0.000 0.000 0.420 137 I N 3.754 124.278 120.570 -0.077 0.000 2.301 137 I HA 0.604 4.775 4.170 0.002 0.000 0.292 137 I C 0.738 176.836 176.117 -0.031 0.000 1.046 137 I CA -0.221 61.047 61.300 -0.053 0.000 1.282 137 I CB 0.485 38.442 38.000 -0.072 0.000 1.409 137 I HN 0.727 8.937 8.210 -0.000 0.000 0.484 138 G N 3.801 112.596 108.800 -0.009 0.000 2.742 138 G HA2 0.090 4.051 3.960 0.002 0.000 0.686 138 G HA3 0.090 4.051 3.960 0.002 0.000 0.686 138 G C -0.252 174.652 174.900 0.006 0.000 1.220 138 G CA -0.528 44.574 45.100 0.004 0.000 0.783 138 G HN 0.934 9.224 8.290 -0.000 0.000 0.646 139 G N 0.449 109.260 108.800 0.018 0.000 4.975 139 G HA2 0.742 4.703 3.960 0.002 0.000 0.312 139 G HA3 0.742 4.703 3.960 0.002 0.000 0.312 139 G C 0.610 175.534 174.900 0.042 0.000 1.425 139 G CA 0.861 45.984 45.100 0.038 0.000 1.076 139 G HN 1.381 9.671 8.290 -0.000 0.000 0.586 140 G N -0.237 108.577 108.800 0.023 0.000 3.008 140 G HA2 0.422 4.383 3.960 0.002 0.000 0.181 140 G HA3 0.422 4.383 3.960 0.002 0.000 0.181 140 G C 1.062 176.006 174.900 0.075 0.000 1.309 140 G CA 0.307 45.416 45.100 0.015 0.000 1.009 140 G HN 0.060 8.350 8.290 -0.000 0.000 0.584 141 T N 1.019 115.626 114.554 0.087 0.000 2.684 141 T HA -0.091 4.260 4.350 0.002 0.000 0.267 141 T C 2.705 177.304 174.700 -0.169 0.000 1.036 141 T CA 2.133 64.223 62.100 -0.016 0.000 1.148 141 T CB -0.472 68.444 68.868 0.079 0.000 0.863 141 T HN 0.565 8.805 8.240 -0.000 0.000 0.436 142 A N 1.341 124.088 122.820 -0.121 0.000 1.898 142 A HA 0.208 4.530 4.320 0.002 0.000 0.216 142 A C 2.646 180.134 177.584 -0.160 0.000 1.181 142 A CA 1.781 53.719 52.037 -0.165 0.000 0.620 142 A CB -1.105 17.805 19.000 -0.149 0.000 0.819 142 A HN 0.502 8.652 8.150 -0.000 0.000 0.442 143 A N -1.227 121.531 122.820 -0.103 0.000 1.902 143 A HA -0.058 4.264 4.320 0.002 0.000 0.217 143 A C 2.061 179.576 177.584 -0.115 0.000 1.181 143 A CA 1.618 53.599 52.037 -0.093 0.000 0.623 143 A CB -0.735 18.246 19.000 -0.032 0.000 0.818 143 A HN 0.650 8.800 8.150 -0.000 0.000 0.443 144 F N 0.952 120.767 119.950 -0.225 0.000 2.134 144 F HA -0.059 4.469 4.527 0.002 0.000 0.299 144 F C 2.504 178.123 175.800 -0.301 0.000 1.097 144 F CA 1.116 58.956 58.000 -0.266 0.000 1.264 144 F CB -0.354 38.340 39.000 -0.511 0.000 1.001 144 F HN 0.246 8.546 8.300 -0.000 0.000 0.479 145 A N 0.244 122.875 122.820 -0.316 0.000 1.933 145 A HA -0.064 4.257 4.320 0.002 0.000 0.218 145 A C 2.395 179.767 177.584 -0.354 0.000 1.175 145 A CA 1.736 53.580 52.037 -0.322 0.000 0.628 145 A CB -1.503 17.351 19.000 -0.244 0.000 0.814 145 A HN 0.479 8.629 8.150 -0.000 0.000 0.444 146 A N -0.174 122.451 122.820 -0.324 0.000 1.898 146 A HA 0.210 4.532 4.320 0.002 0.000 0.216 146 A C 2.506 179.865 177.584 -0.375 0.000 1.181 146 A CA 1.925 53.766 52.037 -0.326 0.000 0.620 146 A CB -1.008 17.823 19.000 -0.282 0.000 0.819 146 A HN 1.033 9.183 8.150 -0.000 0.000 0.442 147 A N -0.273 122.313 122.820 -0.391 0.000 1.908 147 A HA -0.201 4.120 4.320 0.002 0.000 0.218 147 A C 2.304 179.617 177.584 -0.452 0.000 1.181 147 A CA 1.755 53.554 52.037 -0.396 0.000 0.627 147 A CB -0.543 18.245 19.000 -0.352 0.000 0.818 147 A HN 0.475 8.625 8.150 -0.000 0.000 0.445 148 R N -0.346 119.811 120.500 -0.572 0.000 2.075 148 R HA -0.100 4.241 4.340 0.002 0.000 0.232 148 R C 2.422 178.524 176.300 -0.331 0.000 1.126 148 R CA 1.817 57.636 56.100 -0.469 0.000 0.963 148 R CB -0.523 29.474 30.300 -0.505 0.000 0.858 148 R HN 0.495 8.765 8.270 -0.000 0.000 0.435 149 S N 0.393 115.896 115.700 -0.328 0.000 2.368 149 S HA -0.043 4.428 4.470 0.002 0.000 0.224 149 S C 2.069 176.484 174.600 -0.308 0.000 1.029 149 S CA 0.953 58.986 58.200 -0.279 0.000 0.988 149 S CB -0.116 62.922 63.200 -0.271 0.000 0.838 149 S HN 0.347 8.657 8.310 -0.000 0.000 0.462 150 I N 1.135 121.466 120.570 -0.397 0.000 2.226 150 I HA -0.150 4.021 4.170 0.002 0.000 0.245 150 I C 2.719 178.596 176.117 -0.400 0.000 1.100 150 I CA 1.027 62.020 61.300 -0.510 0.000 1.374 150 I CB -0.265 37.263 38.000 -0.787 0.000 1.057 150 I HN 0.185 8.395 8.210 -0.000 0.000 0.413 151 R N 0.775 121.076 120.500 -0.331 0.000 2.115 151 R HA -0.022 4.320 4.340 0.002 0.000 0.230 151 R C 2.257 178.447 176.300 -0.183 0.000 1.111 151 R CA 1.347 57.305 56.100 -0.236 0.000 0.976 151 R CB -0.652 29.519 30.300 -0.215 0.000 0.870 151 R HN 0.373 8.643 8.270 -0.000 0.000 0.445 152 A N 0.906 123.613 122.820 -0.188 0.000 1.968 152 A HA -0.090 4.231 4.320 0.002 0.000 0.217 152 A C 2.072 179.580 177.584 -0.127 0.000 1.169 152 A CA 0.920 52.871 52.037 -0.144 0.000 0.638 152 A CB -0.145 18.771 19.000 -0.140 0.000 0.812 152 A HN 0.193 8.343 8.150 -0.000 0.000 0.446 153 R N -1.117 119.293 120.500 -0.149 0.000 2.254 153 R HA 0.074 4.415 4.340 0.002 0.000 0.195 153 R C -0.287 175.953 176.300 -0.101 0.000 0.957 153 R CA 0.734 56.761 56.100 -0.121 0.000 1.024 153 R CB 0.368 30.587 30.300 -0.136 0.000 0.952 153 R HN 0.325 8.595 8.270 -0.000 0.000 0.484 154 D N -0.044 120.283 120.400 -0.122 0.000 2.363 154 D HA 0.163 4.804 4.640 0.002 0.000 0.258 154 D C -2.209 174.043 176.300 -0.080 0.000 1.259 154 D CA -2.060 51.892 54.000 -0.079 0.000 0.921 154 D CB 1.615 42.377 40.800 -0.065 0.000 1.201 154 D HN -0.214 8.156 8.370 -0.000 0.000 0.524 155 P HA -0.070 4.350 4.420 -0.000 0.000 0.218 155 P C 1.070 178.343 177.300 -0.046 0.000 1.146 155 P CA 1.025 64.089 63.100 -0.061 0.000 0.820 155 P CB 0.369 32.040 31.700 -0.048 0.000 0.778 156 G N -1.979 106.808 108.800 -0.022 0.000 3.393 156 G HA2 0.382 4.343 3.960 0.002 0.000 0.255 156 G HA3 0.382 4.343 3.960 0.002 0.000 0.255 156 G C 0.334 175.247 174.900 0.022 0.000 1.097 156 G CA 0.159 45.257 45.100 -0.003 0.000 0.780 156 G HN 0.372 8.662 8.290 -0.000 0.000 0.540 157 A N 0.745 123.576 122.820 0.018 0.000 2.520 157 A HA 0.489 4.810 4.320 0.002 0.000 0.235 157 A C 0.412 178.048 177.584 0.086 0.000 1.065 157 A CA 0.146 52.236 52.037 0.089 0.000 0.764 157 A CB 0.205 19.165 19.000 -0.066 0.000 1.002 157 A HN 0.412 8.562 8.150 -0.000 0.000 0.502 158 R N 1.349 121.962 120.500 0.188 0.000 2.275 158 R HA 0.493 4.835 4.340 0.002 0.000 0.326 158 R C -1.488 174.930 176.300 0.195 0.000 0.973 158 R CA -0.426 55.748 56.100 0.123 0.000 0.854 158 R CB 1.579 31.917 30.300 0.062 0.000 1.156 158 R HN 0.422 8.692 8.270 -0.000 0.000 0.487 159 V N 4.693 124.673 119.914 0.109 0.000 2.540 159 V HA 0.401 4.523 4.120 0.002 0.000 0.302 159 V C -0.799 175.333 176.094 0.063 0.000 1.035 159 V CA -0.953 61.405 62.300 0.096 0.000 0.873 159 V CB 1.887 33.700 31.823 -0.017 0.000 0.992 159 V HN 0.491 8.681 8.190 -0.000 0.000 0.428 160 L N 6.440 127.695 121.223 0.053 0.000 2.333 160 L HA 0.685 5.026 4.340 0.002 0.000 0.280 160 L C -0.743 176.138 176.870 0.019 0.000 1.004 160 L CA 0.066 54.927 54.840 0.034 0.000 0.820 160 L CB 1.374 43.446 42.059 0.021 0.000 1.247 160 L HN 0.560 8.790 8.230 -0.000 0.000 0.416 161 I N 5.663 126.244 120.570 0.018 0.000 2.354 161 I HA 0.400 4.571 4.170 0.002 0.000 0.292 161 I C -0.746 175.372 176.117 0.000 0.000 0.989 161 I CA -0.884 60.420 61.300 0.007 0.000 1.188 161 I CB 1.853 39.865 38.000 0.020 0.000 1.342 161 I HN 0.276 8.486 8.210 -0.000 0.000 0.457 162 V N 5.233 125.146 119.914 -0.001 0.000 2.347 162 V HA 0.292 4.413 4.120 0.002 0.000 0.280 162 V C 0.058 176.158 176.094 0.009 0.000 1.021 162 V CA -0.309 61.994 62.300 0.004 0.000 0.847 162 V CB 1.374 33.201 31.823 0.007 0.000 0.990 162 V HN 0.760 8.950 8.190 -0.000 0.000 0.444 163 S N 2.939 118.647 115.700 0.013 0.000 2.498 163 S HA 0.296 4.768 4.470 0.002 0.000 0.317 163 S C 1.046 175.665 174.600 0.032 0.000 1.090 163 S CA -0.513 57.702 58.200 0.024 0.000 1.089 163 S CB 1.332 64.550 63.200 0.029 0.000 0.997 163 S HN 0.952 9.262 8.310 -0.000 0.000 0.470 164 E N 3.048 123.270 120.200 0.037 0.000 2.204 164 E HA -0.089 4.262 4.350 0.002 0.000 0.194 164 E C -0.405 176.224 176.600 0.048 0.000 0.989 164 E CA 0.702 57.126 56.400 0.040 0.000 0.824 164 E CB -0.110 29.614 29.700 0.042 0.000 0.756 164 E HN 0.547 8.907 8.360 -0.000 0.000 0.477 165 D N 1.820 122.257 120.400 0.062 0.000 2.344 165 D HA 0.042 4.684 4.640 0.002 0.000 0.244 165 D C -1.477 174.871 176.300 0.080 0.000 1.134 165 D CA -2.024 52.025 54.000 0.082 0.000 0.930 165 D CB 1.094 41.969 40.800 0.124 0.000 1.175 165 D HN 0.045 8.415 8.370 -0.000 0.000 0.437 166 P HA -0.002 4.418 4.420 -0.000 0.000 0.241 166 P C -0.014 177.335 177.300 0.081 0.000 1.191 166 P CA 0.591 63.728 63.100 0.062 0.000 0.771 166 P CB 0.706 32.434 31.700 0.047 0.000 0.929 167 E N -0.385 119.903 120.200 0.146 0.000 2.222 167 E HA 0.413 4.764 4.350 0.002 0.000 0.272 167 E C 0.099 176.842 176.600 0.239 0.000 0.982 167 E CA -0.730 55.803 56.400 0.221 0.000 0.842 167 E CB 0.818 30.720 29.700 0.338 0.000 1.144 167 E HN -0.004 8.356 8.360 -0.000 0.000 0.397 168 L N 3.063 124.421 121.223 0.225 0.000 2.466 168 L HA 0.299 4.640 4.340 0.002 0.000 0.257 168 L C -1.963 175.145 176.870 0.397 0.000 1.189 168 L CA -1.963 52.964 54.840 0.145 0.000 0.813 168 L CB 0.225 42.268 42.059 -0.027 0.000 1.118 168 L HN 0.343 8.573 8.230 -0.000 0.000 0.471 169 P HA -0.049 4.371 4.420 -0.000 0.000 0.260 169 P C -1.616 175.959 177.300 0.458 0.000 1.172 169 P CA 0.679 64.012 63.100 0.389 0.000 0.760 169 P CB 0.018 32.003 31.700 0.474 0.000 0.773 170 Y N 1.125 121.504 120.300 0.133 0.000 2.597 170 Y HA 0.613 5.165 4.550 0.002 0.000 0.340 170 Y C -0.415 175.217 175.900 -0.446 0.000 1.097 170 Y CA -1.841 56.006 58.100 -0.421 0.000 1.037 170 Y CB 0.978 39.146 38.460 -0.487 0.000 1.305 170 Y HN 0.248 8.528 8.280 -0.000 0.000 0.463 171 M N 1.899 121.124 119.600 -0.626 0.000 2.250 171 M HA 0.573 5.055 4.480 0.002 0.000 0.344 171 M C -0.292 176.018 176.300 0.016 0.000 1.150 171 M CA -0.357 54.815 55.300 -0.212 0.000 1.147 171 M CB 1.948 34.412 32.600 -0.226 0.000 1.498 171 M HN 0.928 9.218 8.290 -0.000 0.000 0.461 172 R N 1.002 121.553 120.500 0.084 0.000 2.156 172 R HA 0.142 4.483 4.340 0.002 0.000 0.207 172 R C -0.948 175.353 176.300 0.002 0.000 1.040 172 R CA 0.324 56.477 56.100 0.087 0.000 1.013 172 R CB -1.355 29.015 30.300 0.116 0.000 0.931 172 R HN 0.588 8.858 8.270 -0.000 0.000 0.465 173 P HA -0.140 4.280 4.420 -0.000 0.000 0.218 173 P C -1.609 175.578 177.300 -0.188 0.000 1.154 173 P CA 1.675 64.668 63.100 -0.179 0.000 0.872 173 P CB -0.794 30.754 31.700 -0.254 0.000 0.790 174 P HA -0.105 4.315 4.420 -0.000 0.000 0.220 174 P C 1.331 178.397 177.300 -0.390 0.000 1.148 174 P CA 1.047 63.783 63.100 -0.607 0.000 0.803 174 P CB -0.547 30.432 31.700 -1.203 0.000 0.782 175 L N -0.715 120.386 121.223 -0.204 0.000 2.187 175 L HA -0.152 4.189 4.340 0.002 0.000 0.213 175 L C 1.816 178.958 176.870 0.453 0.000 1.100 175 L CA 1.944 56.778 54.840 -0.011 0.000 0.765 175 L CB -0.869 41.307 42.059 0.194 0.000 0.904 175 L HN 0.152 8.382 8.230 -0.000 0.000 0.437 176 S N -2.936 112.960 115.700 0.328 0.000 2.578 176 S HA 0.239 4.711 4.470 0.002 0.000 0.231 176 S C 0.754 175.520 174.600 0.276 0.000 0.994 176 S CA -0.645 57.720 58.200 0.275 0.000 0.956 176 S CB 0.564 63.811 63.200 0.079 0.000 0.870 176 S HN 0.316 8.626 8.310 -0.000 0.000 0.494 177 K N 1.342 121.912 120.400 0.283 0.000 4.487 177 K HA 0.375 4.696 4.320 0.002 0.000 0.281 177 K C 0.888 177.656 176.600 0.279 0.000 1.137 177 K CA -0.090 56.358 56.287 0.268 0.000 1.838 177 K CB -0.164 32.361 32.500 0.042 0.000 3.041 177 K HN -0.029 8.221 8.250 -0.000 0.000 0.759 178 E N 1.779 121.817 120.200 -0.270 0.000 2.171 178 E HA -0.163 4.188 4.350 0.002 0.000 0.197 178 E C 1.722 178.346 176.600 0.039 0.000 0.997 178 E CA 1.067 57.290 56.400 -0.295 0.000 0.810 178 E CB -0.216 29.136 29.700 -0.581 0.000 0.738 178 E HN 0.223 8.583 8.360 -0.000 0.000 0.467 179 L N -1.048 120.078 121.223 -0.162 0.000 2.353 179 L HA -0.132 4.209 4.340 0.002 0.000 0.220 179 L C 1.363 178.233 176.870 -0.001 0.000 1.133 179 L CA 0.782 55.474 54.840 -0.247 0.000 0.798 179 L CB -0.140 41.363 42.059 -0.926 0.000 0.922 179 L HN 0.308 8.538 8.230 -0.000 0.000 0.445 180 W N -1.966 119.513 121.300 0.299 0.000 2.942 180 W HA 0.072 4.733 4.660 0.002 0.000 0.263 180 W C 0.434 177.048 176.519 0.158 0.000 1.296 180 W CA -0.482 57.035 57.345 0.287 0.000 1.504 180 W CB 0.196 29.788 29.460 0.220 0.000 1.096 180 W HN -0.107 8.073 8.180 -0.000 0.000 0.639 181 F N 1.039 121.202 119.950 0.355 0.000 2.441 181 F HA 0.394 4.922 4.527 0.002 0.000 0.337 181 F C 0.599 176.533 175.800 0.224 0.000 1.182 181 F CA -0.585 57.603 58.000 0.313 0.000 1.279 181 F CB -0.056 39.212 39.000 0.446 0.000 1.614 181 F HN -0.376 7.924 8.300 -0.000 0.000 0.574 186 N N 0.806 119.512 118.700 0.011 0.000 2.463 186 N HA -0.028 4.713 4.740 0.002 0.000 0.181 186 N C 1.667 177.189 175.510 0.020 0.000 1.078 186 N CA 0.797 53.853 53.050 0.010 0.000 0.902 186 N CB 0.711 39.203 38.487 0.007 0.000 0.970 186 N HN 0.104 8.484 8.380 -0.000 0.000 0.451 187 V N 1.146 121.081 119.914 0.034 0.000 2.490 187 V HA -0.204 3.917 4.120 0.002 0.000 0.250 187 V C 1.780 177.920 176.094 0.078 0.000 1.061 187 V CA 1.814 64.146 62.300 0.053 0.000 1.064 187 V CB -0.665 31.202 31.823 0.073 0.000 0.670 187 V HN 0.260 8.450 8.190 -0.000 0.000 0.461 188 T N -0.250 114.347 114.554 0.071 0.000 2.915 188 T HA -0.126 4.226 4.350 0.002 0.000 0.269 188 T C 1.746 176.478 174.700 0.053 0.000 1.071 188 T CA 1.628 63.781 62.100 0.087 0.000 1.132 188 T CB -0.090 68.746 68.868 -0.052 0.000 0.878 188 T HN 0.583 8.823 8.240 -0.000 0.000 0.479 189 K N 0.723 121.139 120.400 0.028 0.000 2.099 189 K HA 0.016 4.337 4.320 0.002 0.000 0.203 189 K C 2.774 179.394 176.600 0.033 0.000 1.047 189 K CA 1.406 57.705 56.287 0.019 0.000 0.963 189 K CB -0.199 32.304 32.500 0.006 0.000 0.759 189 K HN 0.369 8.619 8.250 -0.000 0.000 0.451 190 T N -0.569 114.005 114.554 0.033 0.000 2.978 190 T HA 0.050 4.401 4.350 0.002 0.000 0.262 190 T C 1.114 175.849 174.700 0.058 0.000 1.063 190 T CA 0.321 62.444 62.100 0.038 0.000 1.140 190 T CB -0.336 68.542 68.868 0.017 0.000 0.886 190 T HN 0.228 8.468 8.240 -0.000 0.000 0.470 191 L N 0.028 121.274 121.223 0.039 0.000 4.040 191 L HA -0.166 4.175 4.340 0.002 0.000 0.410 191 L C 0.558 177.445 176.870 0.029 0.000 1.187 191 L CA 0.323 55.163 54.840 -0.001 0.000 0.956 191 L CB -1.492 40.518 42.059 -0.082 0.000 2.022 191 L HN 0.471 8.701 8.230 -0.000 0.000 0.897 192 R N 1.559 122.069 120.500 0.016 0.000 2.280 192 R HA 0.459 4.800 4.340 0.002 0.000 0.326 192 R C 0.283 176.542 176.300 -0.068 0.000 1.080 192 R CA -0.590 55.467 56.100 -0.072 0.000 1.002 192 R CB 0.424 30.675 30.300 -0.081 0.000 1.136 192 R HN 0.162 8.432 8.270 -0.000 0.000 0.509 193 F N 0.887 120.760 119.950 -0.128 0.000 2.380 193 F HA 0.521 5.049 4.527 0.002 0.000 0.319 193 F C -0.476 175.256 175.800 -0.112 0.000 1.113 193 F CA -1.021 56.904 58.000 -0.124 0.000 1.056 193 F CB 0.720 39.610 39.000 -0.182 0.000 1.289 193 F HN 0.096 8.396 8.300 -0.000 0.000 0.515 194 K N 1.868 122.314 120.400 0.077 0.000 2.235 194 K HA 0.242 4.564 4.320 0.002 0.000 0.266 194 K C -0.572 176.051 176.600 0.038 0.000 0.980 194 K CA -0.672 55.608 56.287 -0.010 0.000 0.849 194 K CB 1.637 34.165 32.500 0.047 0.000 1.098 194 K HN 0.714 8.964 8.250 -0.000 0.000 0.445 195 Q N 0.751 120.509 119.800 -0.070 0.000 2.584 195 Q HA -0.012 4.329 4.340 0.002 0.000 0.218 195 Q C 0.663 176.631 176.000 -0.052 0.000 1.079 195 Q CA 0.259 55.977 55.803 -0.142 0.000 1.008 195 Q CB 0.512 29.168 28.738 -0.137 0.000 1.267 195 Q HN 0.656 8.926 8.270 -0.000 0.000 0.586 196 W N 0.691 121.982 121.300 -0.015 0.000 2.387 196 W HA -0.157 4.505 4.660 0.002 0.000 0.272 196 W C 1.684 178.180 176.519 -0.039 0.000 1.224 196 W CA 0.378 57.692 57.345 -0.051 0.000 1.210 196 W CB -0.096 29.304 29.460 -0.100 0.000 1.125 196 W HN 0.683 8.863 8.180 -0.000 0.000 0.572 197 N N 0.401 119.188 118.700 0.145 0.000 2.383 197 N HA 0.079 4.821 4.740 0.002 0.000 0.192 197 N C 1.441 176.978 175.510 0.044 0.000 1.141 197 N CA 1.077 54.169 53.050 0.070 0.000 0.851 197 N CB -0.088 38.410 38.487 0.020 0.000 0.976 197 N HN 0.201 8.581 8.380 -0.000 0.000 0.465 198 G N -0.071 108.763 108.800 0.057 0.000 2.225 198 G HA2 -0.268 3.694 3.960 0.002 0.000 0.254 198 G HA3 -0.268 3.694 3.960 0.002 0.000 0.254 198 G C -0.141 174.753 174.900 -0.010 0.000 0.988 198 G CA 0.164 45.286 45.100 0.036 0.000 0.625 198 G HN 0.365 8.655 8.290 -0.000 0.000 0.527 199 K N 1.803 122.178 120.400 -0.040 0.000 2.205 199 K HA 0.418 4.739 4.320 0.002 0.000 0.279 199 K C 0.653 177.162 176.600 -0.150 0.000 1.027 199 K CA -0.282 55.957 56.287 -0.080 0.000 0.932 199 K CB 1.012 33.465 32.500 -0.077 0.000 1.032 199 K HN 0.590 8.839 8.250 -0.000 0.000 0.466 200 E N 2.023 122.121 120.200 -0.169 0.000 2.383 200 E HA 0.185 4.536 4.350 0.002 0.000 0.264 200 E C -0.008 176.370 176.600 -0.370 0.000 1.050 200 E CA -0.083 56.154 56.400 -0.271 0.000 0.896 200 E CB 1.122 30.704 29.700 -0.196 0.000 0.982 200 E HN 0.274 8.634 8.360 -0.000 0.000 0.424 201 R N 0.982 121.100 120.500 -0.637 0.000 2.604 201 R HA 0.214 4.555 4.340 0.002 0.000 0.270 201 R C -1.229 174.634 176.300 -0.729 0.000 1.052 201 R CA -0.423 55.291 56.100 -0.643 0.000 0.902 201 R CB 2.005 31.886 30.300 -0.697 0.000 1.233 201 R HN 0.514 8.784 8.270 -0.000 0.000 0.455 202 S N 2.746 118.230 115.700 -0.360 0.000 2.586 202 S HA 0.205 4.676 4.470 0.002 0.000 0.274 202 S C 1.134 175.668 174.600 -0.110 0.000 1.281 202 S CA -0.702 57.386 58.200 -0.186 0.000 1.035 202 S CB 0.915 64.083 63.200 -0.053 0.000 0.962 202 S HN 0.670 8.980 8.310 -0.000 0.000 0.512 203 I N 3.458 123.987 120.570 -0.068 0.000 2.676 203 I HA 0.046 4.217 4.170 0.002 0.000 0.259 203 I C -0.395 175.477 176.117 -0.408 0.000 1.194 203 I CA 0.394 61.599 61.300 -0.159 0.000 1.473 203 I CB 0.033 37.824 38.000 -0.348 0.000 1.096 203 I HN 0.657 8.867 8.210 -0.000 0.000 0.443 204 Y N -0.340 119.871 120.300 -0.149 0.000 2.346 204 Y HA 0.059 4.610 4.550 0.002 0.000 0.330 204 Y C 0.961 176.692 175.900 -0.282 0.000 1.178 204 Y CA -0.134 57.862 58.100 -0.173 0.000 1.331 204 Y CB 0.237 38.661 38.460 -0.060 0.000 1.253 204 Y HN -0.045 8.235 8.280 -0.000 0.000 0.529 205 F N 0.078 119.967 119.950 -0.100 0.000 2.216 205 F HA -0.138 4.391 4.527 0.002 0.000 0.300 205 F C 0.953 176.554 175.800 -0.332 0.000 1.085 205 F CA 1.331 59.064 58.000 -0.445 0.000 1.326 205 F CB 0.102 38.275 39.000 -1.378 0.000 1.027 205 F HN 0.459 8.759 8.300 -0.000 0.000 0.497 206 Q N -1.108 118.680 119.800 -0.020 0.000 2.482 206 Q HA 0.272 4.613 4.340 0.002 0.000 0.286 206 Q C -2.532 173.380 176.000 -0.147 0.000 1.007 206 Q CA -2.156 53.601 55.803 -0.077 0.000 0.801 206 Q CB 2.675 31.421 28.738 0.013 0.000 1.455 206 Q HN -0.257 8.013 8.270 -0.000 0.000 0.398 207 P HA 0.068 4.488 4.420 -0.000 0.000 0.271 207 P C -2.179 175.003 177.300 -0.198 0.000 1.218 207 P CA -1.030 61.835 63.100 -0.393 0.000 0.780 207 P CB 0.617 31.941 31.700 -0.627 0.000 0.901 208 P HA -0.165 4.255 4.420 -0.000 0.000 0.220 208 P C 1.288 178.700 177.300 0.186 0.000 1.144 208 P CA 1.425 64.596 63.100 0.118 0.000 0.800 208 P CB -0.266 31.419 31.700 -0.025 0.000 0.772 209 S N -1.815 113.946 115.700 0.101 0.000 2.561 209 S HA 0.021 4.492 4.470 0.002 0.000 0.225 209 S C 1.792 176.604 174.600 0.352 0.000 0.977 209 S CA 0.040 58.354 58.200 0.191 0.000 0.926 209 S CB -1.536 61.761 63.200 0.162 0.000 0.769 209 S HN 0.149 8.459 8.310 -0.000 0.000 0.533 210 F N 0.381 120.309 119.950 -0.035 0.000 2.615 210 F HA 0.234 4.762 4.527 0.002 0.000 0.297 210 F C 0.453 176.140 175.800 -0.189 0.000 1.124 210 F CA -0.487 57.427 58.000 -0.143 0.000 1.451 210 F CB 0.097 38.959 39.000 -0.230 0.000 1.103 210 F HN 0.203 8.503 8.300 -0.000 0.000 0.569 211 Y N 0.041 120.479 120.300 0.231 0.000 2.354 211 Y HA 0.385 4.936 4.550 0.002 0.000 0.322 211 Y C 0.439 176.395 175.900 0.093 0.000 1.253 211 Y CA -1.417 56.769 58.100 0.143 0.000 1.272 211 Y CB 0.882 39.417 38.460 0.125 0.000 1.255 211 Y HN -0.309 7.971 8.280 -0.000 0.000 0.500 212 V N -0.888 119.169 119.914 0.238 0.000 2.975 212 V HA 0.670 4.791 4.120 0.002 0.000 0.318 212 V C -0.035 176.134 176.094 0.125 0.000 1.077 212 V CA -1.183 61.201 62.300 0.140 0.000 1.000 212 V CB 1.382 33.260 31.823 0.091 0.000 1.066 212 V HN 0.809 8.999 8.190 -0.000 0.000 0.452 213 S N 1.738 117.491 115.700 0.087 0.000 2.576 213 S HA 0.529 5.001 4.470 0.002 0.000 0.276 213 S C 1.272 175.906 174.600 0.057 0.000 1.339 213 S CA -0.005 58.234 58.200 0.066 0.000 1.039 213 S CB 1.157 64.389 63.200 0.053 0.000 0.902 213 S HN 1.819 10.129 8.310 -0.000 0.000 0.516 214 A N 2.354 125.202 122.820 0.046 0.000 1.978 214 A HA -0.016 4.305 4.320 0.002 0.000 0.220 214 A C 2.573 180.181 177.584 0.040 0.000 1.170 214 A CA 2.098 54.158 52.037 0.039 0.000 0.636 214 A CB -1.794 17.224 19.000 0.030 0.000 0.810 214 A HN 1.228 9.378 8.150 -0.000 0.000 0.448 215 Q N -1.539 118.286 119.800 0.042 0.000 2.167 215 Q HA -0.088 4.253 4.340 0.002 0.000 0.202 215 Q C 1.731 177.764 176.000 0.054 0.000 0.970 215 Q CA 2.454 58.284 55.803 0.046 0.000 0.855 215 Q CB -1.736 27.027 28.738 0.042 0.000 0.911 215 Q HN 0.981 9.251 8.270 -0.000 0.000 0.438 216 D N -0.217 120.214 120.400 0.052 0.000 2.305 216 D HA 0.238 4.879 4.640 0.002 0.000 0.206 216 D C 1.905 178.235 176.300 0.049 0.000 0.974 216 D CA 0.800 54.835 54.000 0.058 0.000 0.871 216 D CB -0.253 40.580 40.800 0.054 0.000 0.947 216 D HN 0.386 8.756 8.370 -0.000 0.000 0.516 217 L N 0.842 122.088 121.223 0.037 0.000 2.034 217 L HA -0.123 4.218 4.340 0.002 0.000 0.217 217 L C -0.250 176.603 176.870 -0.028 0.000 1.077 217 L CA 2.816 57.667 54.840 0.019 0.000 0.769 217 L CB -0.965 41.109 42.059 0.026 0.000 0.890 217 L HN 0.185 8.415 8.230 -0.000 0.000 0.435 218 P HA -0.186 4.234 4.420 -0.000 0.000 0.218 218 P C 0.500 177.464 177.300 -0.560 0.000 1.148 218 P CA 1.842 64.787 63.100 -0.259 0.000 0.822 218 P CB -0.145 31.441 31.700 -0.189 0.000 0.784 219 H N -2.465 116.627 119.070 0.037 0.000 3.367 219 H HA 0.295 4.853 4.556 0.002 0.000 0.257 219 H C 0.805 176.148 175.328 0.024 0.000 1.201 219 H CA -0.786 55.280 56.048 0.028 0.000 1.102 219 H CB 0.574 30.350 29.762 0.023 0.000 1.656 219 H HN 0.158 8.438 8.280 -0.000 0.000 0.662 220 I N 2.356 122.979 120.570 0.088 0.000 2.752 220 I HA -0.062 4.109 4.170 0.002 0.000 0.287 220 I C 0.884 177.030 176.117 0.049 0.000 1.188 220 I CA 0.127 61.465 61.300 0.064 0.000 1.427 220 I CB 0.893 38.921 38.000 0.046 0.000 1.365 220 I HN 0.147 8.357 8.210 -0.000 0.000 0.585 221 E N 7.194 127.418 120.200 0.040 0.000 2.417 221 E HA -0.091 4.260 4.350 0.002 0.000 0.261 221 E C 0.071 176.679 176.600 0.013 0.000 1.000 221 E CA 0.158 56.575 56.400 0.027 0.000 0.919 221 E CB 0.238 29.949 29.700 0.019 0.000 0.955 221 E HN 0.765 9.125 8.360 -0.000 0.000 0.455 222 N N 2.390 121.096 118.700 0.010 0.000 2.878 222 N HA -0.213 4.528 4.740 0.002 0.000 0.247 222 N C 0.508 176.015 175.510 -0.004 0.000 1.021 222 N CA 0.838 53.887 53.050 -0.002 0.000 0.873 222 N CB -1.823 36.654 38.487 -0.016 0.000 1.128 222 N HN 0.882 9.262 8.380 -0.000 0.000 0.571 223 G N -0.547 108.257 108.800 0.007 0.000 2.578 223 G HA2 0.229 4.190 3.960 0.002 0.000 0.275 223 G HA3 0.229 4.190 3.960 0.002 0.000 0.275 223 G C 0.336 175.238 174.900 0.003 0.000 1.271 223 G CA 0.809 45.915 45.100 0.009 0.000 0.941 223 G HN 1.464 9.754 8.290 -0.000 0.000 0.564 224 G N -3.901 104.902 108.800 0.005 0.000 2.345 224 G HA2 0.559 4.520 3.960 0.002 0.000 0.285 224 G HA3 0.559 4.520 3.960 0.002 0.000 0.285 224 G C -1.415 173.501 174.900 0.026 0.000 1.297 224 G CA 0.494 45.595 45.100 0.002 0.000 0.875 224 G HN 1.866 10.156 8.290 -0.000 0.000 0.506 225 V N 0.585 120.538 119.914 0.065 0.000 2.487 225 V HA 0.801 4.922 4.120 0.002 0.000 0.298 225 V C 0.559 176.806 176.094 0.256 0.000 1.028 225 V CA 0.048 62.427 62.300 0.132 0.000 0.860 225 V CB 0.880 32.784 31.823 0.136 0.000 0.991 225 V HN 1.750 9.940 8.190 -0.000 0.000 0.427 226 A N 4.388 127.311 122.820 0.172 0.000 2.354 226 A HA 0.977 5.299 4.320 0.002 0.000 0.321 226 A C -0.956 176.660 177.584 0.053 0.000 1.125 226 A CA -0.673 51.446 52.037 0.136 0.000 0.799 226 A CB 1.976 21.026 19.000 0.082 0.000 1.293 226 A HN 0.728 8.878 8.150 -0.000 0.000 0.452 227 V N 1.542 121.432 119.914 -0.039 0.000 2.577 227 V HA 0.356 4.477 4.120 0.002 0.000 0.303 227 V C -0.630 175.431 176.094 -0.055 0.000 1.042 227 V CA -0.235 62.009 62.300 -0.094 0.000 0.872 227 V CB 1.546 33.209 31.823 -0.266 0.000 0.998 227 V HN 0.737 8.927 8.190 -0.000 0.000 0.423 228 L N 5.186 126.395 121.223 -0.024 0.000 2.287 228 L HA 0.431 4.772 4.340 0.002 0.000 0.280 228 L C 0.749 177.615 176.870 -0.006 0.000 1.055 228 L CA -0.151 54.684 54.840 -0.008 0.000 0.863 228 L CB 1.422 43.485 42.059 0.006 0.000 1.245 228 L HN 0.879 9.109 8.230 -0.000 0.000 0.432 229 T N -1.390 113.159 114.554 -0.009 0.000 2.899 229 T HA 0.483 4.835 4.350 0.002 0.000 0.284 229 T C 1.153 175.862 174.700 0.016 0.000 1.004 229 T CA 0.153 62.257 62.100 0.006 0.000 1.043 229 T CB 1.717 70.588 68.868 0.005 0.000 1.013 229 T HN 0.803 9.043 8.240 -0.000 0.000 0.518 230 G N 1.041 109.857 108.800 0.027 0.000 2.168 230 G HA2 -0.190 3.771 3.960 0.002 0.000 0.257 230 G HA3 -0.190 3.771 3.960 0.002 0.000 0.257 230 G C -0.088 174.828 174.900 0.026 0.000 0.997 230 G CA 0.056 45.172 45.100 0.027 0.000 0.708 230 G HN 0.802 9.092 8.290 -0.000 0.000 0.520 231 K N -0.090 120.325 120.400 0.025 0.000 2.378 231 K HA 0.549 4.871 4.320 0.002 0.000 0.252 231 K C -0.354 176.263 176.600 0.028 0.000 0.931 231 K CA -0.805 55.497 56.287 0.025 0.000 0.794 231 K CB 2.337 34.850 32.500 0.022 0.000 1.181 231 K HN 0.288 8.538 8.250 -0.000 0.000 0.425 232 K N 1.942 122.360 120.400 0.030 0.000 2.292 232 K HA 0.329 4.650 4.320 0.002 0.000 0.257 232 K C -0.746 175.875 176.600 0.034 0.000 0.940 232 K CA -0.682 55.624 56.287 0.033 0.000 0.811 232 K CB 1.565 34.086 32.500 0.036 0.000 1.120 232 K HN 0.246 8.496 8.250 -0.000 0.000 0.428 233 V N 5.572 125.507 119.914 0.035 0.000 2.439 233 V HA 0.009 4.131 4.120 0.002 0.000 0.271 233 V C 1.072 177.193 176.094 0.046 0.000 1.040 233 V CA -0.105 62.218 62.300 0.038 0.000 1.002 233 V CB 0.880 32.722 31.823 0.032 0.000 1.000 233 V HN 0.747 8.937 8.190 -0.000 0.000 0.477 234 V N 1.809 121.750 119.914 0.046 0.000 3.661 234 V HA 0.356 4.477 4.120 0.002 0.000 0.271 234 V C 0.360 176.485 176.094 0.052 0.000 1.315 234 V CA 0.374 62.703 62.300 0.048 0.000 1.072 234 V CB -0.046 31.802 31.823 0.040 0.000 0.830 234 V HN 0.809 8.999 8.190 -0.000 0.000 0.443 235 Q N 0.501 120.334 119.800 0.056 0.000 2.315 235 Q HA 0.620 4.961 4.340 0.002 0.000 0.273 235 Q C -2.242 173.802 176.000 0.073 0.000 1.053 235 Q CA -0.764 55.075 55.803 0.060 0.000 0.817 235 Q CB 2.800 31.569 28.738 0.051 0.000 1.326 235 Q HN 0.403 8.673 8.270 -0.000 0.000 0.423 236 L N 3.442 124.714 121.223 0.080 0.000 2.376 236 L HA 0.518 4.860 4.340 0.002 0.000 0.275 236 L C -1.598 175.329 176.870 0.095 0.000 0.987 236 L CA -0.096 54.804 54.840 0.100 0.000 0.828 236 L CB 1.848 43.962 42.059 0.092 0.000 1.249 236 L HN 0.614 8.844 8.230 -0.000 0.000 0.409 237 D N 3.955 124.418 120.400 0.104 0.000 2.460 237 D HA 0.146 4.787 4.640 0.002 0.000 0.268 237 D C 1.280 177.624 176.300 0.073 0.000 1.153 237 D CA -0.019 54.023 54.000 0.069 0.000 0.929 237 D CB 1.149 41.974 40.800 0.041 0.000 1.015 237 D HN 0.452 8.822 8.370 -0.000 0.000 0.502 238 V N 2.897 122.862 119.914 0.084 0.000 2.278 238 V HA -0.263 3.858 4.120 0.002 0.000 0.251 238 V C 2.151 178.264 176.094 0.031 0.000 1.062 238 V CA 1.086 63.438 62.300 0.086 0.000 1.038 238 V CB -0.521 31.341 31.823 0.064 0.000 0.646 238 V HN 0.297 8.487 8.190 -0.000 0.000 0.447 239 R N 0.823 121.330 120.500 0.012 0.000 2.096 239 R HA -0.087 4.255 4.340 0.002 0.000 0.235 239 R C 1.761 178.040 176.300 -0.036 0.000 1.127 239 R CA 1.752 57.846 56.100 -0.009 0.000 0.968 239 R CB -0.974 29.323 30.300 -0.004 0.000 0.861 239 R HN 0.686 8.956 8.270 -0.000 0.000 0.440 240 D N 0.240 120.614 120.400 -0.043 0.000 2.349 240 D HA 0.031 4.672 4.640 0.002 0.000 0.214 240 D C -0.181 176.023 176.300 -0.159 0.000 1.063 240 D CA -0.097 53.859 54.000 -0.073 0.000 0.847 240 D CB -0.096 40.678 40.800 -0.044 0.000 0.933 240 D HN 0.071 8.441 8.370 -0.000 0.000 0.513 241 N N 1.023 119.587 118.700 -0.227 0.000 2.705 241 N HA -0.201 4.540 4.740 0.002 0.000 0.255 241 N C -0.113 174.945 175.510 -0.754 0.000 1.008 241 N CA 0.675 53.329 53.050 -0.659 0.000 0.742 241 N CB -1.254 36.826 38.487 -0.679 0.000 0.906 241 N HN 0.483 8.863 8.380 -0.000 0.000 0.541 242 M N -2.605 116.864 119.600 -0.219 0.000 2.575 242 M HA 0.683 5.164 4.480 0.002 0.000 0.284 242 M C -0.808 175.589 176.300 0.162 0.000 1.253 242 M CA -0.920 54.371 55.300 -0.014 0.000 0.861 242 M CB 2.782 35.366 32.600 -0.026 0.000 1.733 242 M HN -0.126 8.164 8.290 -0.000 0.000 0.462 243 V N -0.710 119.306 119.914 0.171 0.000 3.001 243 V HA 0.748 4.870 4.120 0.002 0.000 0.314 243 V C -1.297 174.848 176.094 0.084 0.000 1.099 243 V CA -0.704 61.676 62.300 0.133 0.000 0.989 243 V CB 1.996 33.896 31.823 0.129 0.000 1.040 243 V HN 1.072 9.262 8.190 -0.000 0.000 0.434 244 K N 2.490 122.930 120.400 0.066 0.000 2.345 244 K HA 0.676 4.997 4.320 0.002 0.000 0.255 244 K C -1.171 175.456 176.600 0.046 0.000 0.934 244 K CA -0.784 55.533 56.287 0.051 0.000 0.801 244 K CB 1.860 34.386 32.500 0.044 0.000 1.137 244 K HN 0.843 9.093 8.250 -0.000 0.000 0.424 245 L N 3.096 124.343 121.223 0.041 0.000 2.439 245 L HA 0.190 4.531 4.340 0.002 0.000 0.259 245 L C 1.893 178.782 176.870 0.033 0.000 1.129 245 L CA -0.712 54.150 54.840 0.036 0.000 0.803 245 L CB 0.722 42.800 42.059 0.033 0.000 1.161 245 L HN 0.809 9.039 8.230 -0.000 0.000 0.462 246 N N 0.992 119.711 118.700 0.031 0.000 2.348 246 N HA -0.212 4.529 4.740 0.002 0.000 0.185 246 N C 0.699 176.225 175.510 0.026 0.000 1.019 246 N CA 1.426 54.493 53.050 0.029 0.000 0.880 246 N CB -0.383 38.121 38.487 0.028 0.000 0.965 246 N HN 0.759 9.139 8.380 -0.000 0.000 0.437 247 D N -1.632 118.784 120.400 0.026 0.000 2.339 247 D HA 0.151 4.792 4.640 0.002 0.000 0.217 247 D C 1.289 177.603 176.300 0.023 0.000 1.050 247 D CA 0.617 54.631 54.000 0.023 0.000 0.856 247 D CB -0.171 40.643 40.800 0.022 0.000 0.922 247 D HN 0.397 8.767 8.370 -0.000 0.000 0.518 248 G N -0.328 108.487 108.800 0.025 0.000 2.213 248 G HA2 -0.256 3.705 3.960 0.002 0.000 0.226 248 G HA3 -0.256 3.705 3.960 0.002 0.000 0.226 248 G C 0.382 175.298 174.900 0.027 0.000 0.992 248 G CA 0.090 45.205 45.100 0.025 0.000 0.632 248 G HN 0.389 8.679 8.290 -0.000 0.000 0.511 249 S N 1.181 116.898 115.700 0.029 0.000 2.558 249 S HA 0.423 4.894 4.470 0.002 0.000 0.288 249 S C 0.273 174.895 174.600 0.036 0.000 1.318 249 S CA 0.344 58.562 58.200 0.031 0.000 1.056 249 S CB 1.052 64.271 63.200 0.032 0.000 0.853 249 S HN 0.511 8.821 8.310 -0.000 0.000 0.505 250 Q N 1.722 121.544 119.800 0.038 0.000 2.333 250 Q HA 0.580 4.921 4.340 0.002 0.000 0.267 250 Q C -0.978 175.052 176.000 0.051 0.000 1.012 250 Q CA -0.303 55.525 55.803 0.043 0.000 0.824 250 Q CB 1.715 30.474 28.738 0.035 0.000 1.290 250 Q HN 0.574 8.844 8.270 -0.000 0.000 0.449 251 I N 1.862 122.470 120.570 0.063 0.000 2.499 251 I HA 0.293 4.464 4.170 0.002 0.000 0.288 251 I C 0.135 176.305 176.117 0.087 0.000 1.048 251 I CA -0.780 60.563 61.300 0.072 0.000 1.062 251 I CB 2.131 40.172 38.000 0.069 0.000 1.238 251 I HN 0.567 8.777 8.210 -0.000 0.000 0.426 252 T N 2.246 116.843 114.554 0.071 0.000 2.918 252 T HA 0.683 5.034 4.350 0.002 0.000 0.283 252 T C -0.640 174.027 174.700 -0.056 0.000 1.001 252 T CA -0.440 61.668 62.100 0.013 0.000 1.041 252 T CB 1.491 70.422 68.868 0.105 0.000 1.028 252 T HN 0.519 8.759 8.240 -0.000 0.000 0.511 253 Y N -1.587 118.662 120.300 -0.087 0.000 2.644 253 Y HA 0.715 5.266 4.550 0.002 0.000 0.338 253 Y C 0.486 176.322 175.900 -0.107 0.000 1.119 253 Y CA -1.358 56.609 58.100 -0.221 0.000 1.060 253 Y CB 1.175 39.559 38.460 -0.128 0.000 1.294 253 Y HN 0.616 8.896 8.280 -0.000 0.000 0.472 254 E N 0.591 120.829 120.200 0.063 0.000 2.206 254 E HA 0.264 4.616 4.350 0.002 0.000 0.195 254 E C -0.733 175.976 176.600 0.182 0.000 0.935 254 E CA 0.233 56.662 56.400 0.048 0.000 0.875 254 E CB 0.591 30.235 29.700 -0.093 0.000 0.841 254 E HN 0.501 8.861 8.360 -0.000 0.000 0.477 255 K N 0.362 120.864 120.400 0.170 0.000 2.513 255 K HA 0.422 4.743 4.320 0.002 0.000 0.251 255 K C -1.615 175.066 176.600 0.135 0.000 0.939 255 K CA -0.521 55.923 56.287 0.261 0.000 0.793 255 K CB 2.661 35.270 32.500 0.182 0.000 1.241 255 K HN 0.002 8.252 8.250 -0.000 0.000 0.431 256 C N 3.808 123.147 119.300 0.065 0.000 2.498 256 C HA 0.698 5.159 4.460 0.002 0.000 0.316 256 C C -1.443 173.545 174.990 -0.005 0.000 1.209 256 C CA -0.774 58.106 59.018 -0.230 0.000 1.518 256 C CB 0.539 27.728 27.740 -0.919 0.000 2.147 256 C HN 0.849 9.079 8.230 -0.000 0.000 0.483 257 L N 6.921 128.102 121.223 -0.071 0.000 2.333 257 L HA 0.705 5.046 4.340 0.002 0.000 0.280 257 L C -0.757 176.043 176.870 -0.116 0.000 1.004 257 L CA -0.213 54.602 54.840 -0.040 0.000 0.820 257 L CB 1.217 43.229 42.059 -0.078 0.000 1.247 257 L HN 0.681 8.911 8.230 -0.000 0.000 0.416 258 I N 5.647 126.126 120.570 -0.151 0.000 2.315 258 I HA 0.537 4.708 4.170 0.002 0.000 0.291 258 I C 0.238 176.274 176.117 -0.134 0.000 1.006 258 I CA -0.264 60.910 61.300 -0.210 0.000 1.265 258 I CB 1.518 39.244 38.000 -0.456 0.000 1.387 258 I HN 0.847 9.057 8.210 -0.000 0.000 0.475 259 A N 3.623 126.396 122.820 -0.077 0.000 3.365 259 A HA 0.258 4.579 4.320 0.002 0.000 0.258 259 A C 0.780 178.367 177.584 0.004 0.000 0.964 259 A CA -0.374 51.640 52.037 -0.038 0.000 0.988 259 A CB -0.286 18.678 19.000 -0.061 0.000 1.193 259 A HN 0.746 8.896 8.150 -0.000 0.000 0.508 260 T N -2.766 111.814 114.554 0.044 0.000 3.148 260 T HA 0.412 4.763 4.350 0.002 0.000 0.253 260 T C 1.450 176.204 174.700 0.089 0.000 1.134 260 T CA 1.106 63.252 62.100 0.076 0.000 1.051 260 T CB -0.297 68.647 68.868 0.127 0.000 0.959 260 T HN 2.007 10.247 8.240 -0.000 0.000 0.525 261 G N 0.831 109.686 108.800 0.092 0.000 2.582 261 G HA2 0.161 4.122 3.960 0.002 0.000 0.288 261 G HA3 0.161 4.122 3.960 0.002 0.000 0.288 261 G C 0.160 175.122 174.900 0.103 0.000 1.247 261 G CA -0.130 45.026 45.100 0.093 0.000 0.972 261 G HN 1.348 9.638 8.290 -0.000 0.000 0.557 262 G N -2.815 106.037 108.800 0.087 0.000 2.766 262 G HA2 0.747 4.708 3.960 0.002 0.000 0.288 262 G HA3 0.747 4.708 3.960 0.002 0.000 0.288 262 G C -1.019 173.923 174.900 0.069 0.000 1.408 262 G CA 0.713 45.860 45.100 0.079 0.000 0.852 262 G HN 1.155 9.445 8.290 -0.000 0.000 0.487 263 T N 2.236 116.826 114.554 0.060 0.000 2.807 263 T HA 0.577 4.929 4.350 0.002 0.000 0.279 263 T C -2.587 172.148 174.700 0.058 0.000 0.993 263 T CA -0.766 61.368 62.100 0.056 0.000 0.970 263 T CB 2.021 70.917 68.868 0.047 0.000 0.950 263 T HN 0.221 8.461 8.240 -0.000 0.000 0.441 264 P HA 0.135 4.555 4.420 -0.000 0.000 0.267 264 P C -0.078 177.256 177.300 0.058 0.000 1.200 264 P CA -0.163 62.981 63.100 0.073 0.000 0.772 264 P CB 0.555 32.309 31.700 0.089 0.000 0.855 265 R N 1.152 121.685 120.500 0.054 0.000 2.500 265 R HA 0.536 4.877 4.340 0.002 0.000 0.275 265 R C 0.469 176.794 176.300 0.042 0.000 1.051 265 R CA -0.371 55.753 56.100 0.040 0.000 1.088 265 R CB 1.103 31.422 30.300 0.033 0.000 1.063 265 R HN 0.449 8.719 8.270 -0.000 0.000 0.511 266 S N 1.199 116.918 115.700 0.032 0.000 2.739 266 S HA 0.495 4.966 4.470 0.002 0.000 0.306 266 S C -0.443 174.170 174.600 0.020 0.000 1.115 266 S CA -0.799 57.418 58.200 0.028 0.000 0.985 266 S CB 0.905 64.119 63.200 0.024 0.000 1.133 266 S HN 0.369 8.679 8.310 -0.000 0.000 0.541 267 L N 2.874 124.107 121.223 0.016 0.000 2.326 267 L HA 0.274 4.615 4.340 0.002 0.000 0.278 267 L C 1.739 178.612 176.870 0.006 0.000 1.092 267 L CA -0.307 54.540 54.840 0.010 0.000 0.810 267 L CB 1.669 43.732 42.059 0.007 0.000 1.153 267 L HN 1.020 9.250 8.230 -0.000 0.000 0.439 268 S N 2.007 117.710 115.700 0.004 0.000 2.400 268 S HA -0.219 4.253 4.470 0.002 0.000 0.232 268 S C 1.822 176.422 174.600 -0.000 0.000 1.025 268 S CA 0.941 59.142 58.200 0.002 0.000 0.993 268 S CB -0.247 62.953 63.200 0.000 0.000 0.808 268 S HN 0.770 9.080 8.310 -0.000 0.000 0.478 269 A N 1.999 124.818 122.820 -0.002 0.000 1.940 269 A HA 0.044 4.365 4.320 0.002 0.000 0.219 269 A C 2.230 179.811 177.584 -0.006 0.000 1.176 269 A CA 1.501 53.535 52.037 -0.005 0.000 0.631 269 A CB -0.628 18.368 19.000 -0.006 0.000 0.814 269 A HN 0.550 8.700 8.150 -0.000 0.000 0.446 270 I N 0.229 120.796 120.570 -0.005 0.000 2.333 270 I HA -0.132 4.039 4.170 0.002 0.000 0.246 270 I C 1.558 177.673 176.117 -0.002 0.000 1.106 270 I CA 1.224 62.520 61.300 -0.006 0.000 1.411 270 I CB -1.420 36.576 38.000 -0.007 0.000 1.082 270 I HN 0.275 8.485 8.210 -0.000 0.000 0.420 271 D N 1.169 121.569 120.400 0.001 0.000 2.182 271 D HA -0.163 4.478 4.640 0.002 0.000 0.201 271 D C 1.925 178.226 176.300 0.001 0.000 0.986 271 D CA 1.074 55.076 54.000 0.003 0.000 0.847 271 D CB -0.128 40.674 40.800 0.004 0.000 0.942 271 D HN 0.375 8.745 8.370 -0.000 0.000 0.467 272 R N 0.010 120.510 120.500 -0.001 0.000 2.388 272 R HA 0.333 4.674 4.340 0.002 0.000 0.247 272 R C 1.339 177.637 176.300 -0.002 0.000 0.931 272 R CA 0.078 56.177 56.100 -0.001 0.000 1.082 272 R CB 0.536 30.834 30.300 -0.002 0.000 1.135 272 R HN -0.001 8.269 8.270 -0.000 0.000 0.525 273 A N 0.805 123.623 122.820 -0.003 0.000 2.252 273 A HA 0.427 4.748 4.320 0.002 0.000 0.213 273 A C 0.886 178.469 177.584 -0.002 0.000 1.188 273 A CA 0.516 52.550 52.037 -0.004 0.000 0.863 273 A CB 0.380 19.376 19.000 -0.008 0.000 0.893 273 A HN 0.368 8.518 8.150 -0.000 0.000 0.495 274 G N -2.418 106.382 108.800 -0.000 0.000 2.603 274 G HA2 0.294 4.255 3.960 0.002 0.000 0.686 274 G HA3 0.294 4.255 3.960 0.002 0.000 0.686 274 G C 0.772 175.674 174.900 0.003 0.000 1.286 274 G CA -0.148 44.953 45.100 0.002 0.000 0.871 274 G HN 1.258 9.548 8.290 -0.000 0.000 0.568 275 A N -0.417 122.406 122.820 0.006 0.000 1.908 275 A HA 0.013 4.334 4.320 0.002 0.000 0.218 275 A C 2.110 179.700 177.584 0.009 0.000 1.181 275 A CA 2.561 54.604 52.037 0.009 0.000 0.627 275 A CB -0.544 18.462 19.000 0.010 0.000 0.818 275 A HN 1.137 9.287 8.150 -0.000 0.000 0.445 276 E N -0.288 119.917 120.200 0.008 0.000 2.038 276 E HA -0.161 4.190 4.350 0.002 0.000 0.195 276 E C 1.908 178.511 176.600 0.005 0.000 1.000 276 E CA 1.721 58.126 56.400 0.009 0.000 0.803 276 E CB -0.187 29.517 29.700 0.007 0.000 0.750 276 E HN 0.300 8.660 8.360 -0.000 0.000 0.448 277 V N 1.462 121.375 119.914 -0.003 0.000 2.332 277 V HA -0.285 3.836 4.120 0.002 0.000 0.248 277 V C 2.530 178.612 176.094 -0.020 0.000 1.055 277 V CA 2.232 64.523 62.300 -0.015 0.000 1.038 277 V CB -0.609 31.204 31.823 -0.016 0.000 0.651 277 V HN 0.317 8.507 8.190 -0.000 0.000 0.450 278 K N 0.845 121.240 120.400 -0.007 0.000 2.063 278 K HA -0.225 4.096 4.320 0.002 0.000 0.208 278 K C 2.314 178.919 176.600 0.007 0.000 1.048 278 K CA 1.949 58.235 56.287 -0.002 0.000 0.928 278 K CB -0.287 32.218 32.500 0.008 0.000 0.713 278 K HN 0.626 8.876 8.250 -0.000 0.000 0.442 279 S N 0.148 115.858 115.700 0.018 0.000 2.474 279 S HA -0.079 4.392 4.470 0.002 0.000 0.235 279 S C 1.342 175.980 174.600 0.064 0.000 0.997 279 S CA 0.545 58.769 58.200 0.040 0.000 0.949 279 S CB -0.152 63.071 63.200 0.039 0.000 0.766 279 S HN 0.336 8.646 8.310 -0.000 0.000 0.517 280 R N 0.868 121.379 120.500 0.017 0.000 2.609 280 R HA 0.295 4.636 4.340 0.002 0.000 0.326 280 R C -0.670 175.418 176.300 -0.354 0.000 1.090 280 R CA -0.022 56.068 56.100 -0.017 0.000 1.072 280 R CB 0.652 30.956 30.300 0.006 0.000 1.330 280 R HN 0.222 8.492 8.270 -0.000 0.000 0.572 281 T N 0.524 114.959 114.554 -0.198 0.000 2.841 281 T HA 0.254 4.606 4.350 0.002 0.000 0.285 281 T C -0.277 174.410 174.700 -0.022 0.000 0.991 281 T CA -0.358 61.613 62.100 -0.215 0.000 0.966 281 T CB 2.318 71.130 68.868 -0.094 0.000 0.962 281 T HN -0.120 8.120 8.240 -0.000 0.000 0.438 282 T N 4.151 118.746 114.554 0.068 0.000 2.795 282 T HA 0.480 4.831 4.350 0.002 0.000 0.282 282 T C -0.011 174.799 174.700 0.184 0.000 0.980 282 T CA -0.589 61.643 62.100 0.220 0.000 1.012 282 T CB 0.399 69.508 68.868 0.401 0.000 0.936 282 T HN 0.357 8.597 8.240 -0.000 0.000 0.457 283 L N 3.911 125.230 121.223 0.160 0.000 2.297 283 L HA 0.417 4.758 4.340 0.002 0.000 0.277 283 L C -0.289 176.696 176.870 0.192 0.000 1.040 283 L CA -0.780 54.153 54.840 0.155 0.000 0.867 283 L CB 0.187 42.307 42.059 0.102 0.000 1.244 283 L HN 0.603 8.833 8.230 -0.000 0.000 0.433 284 F N 3.882 123.905 119.950 0.121 0.000 2.519 284 F HA 0.098 4.626 4.527 0.002 0.000 0.375 284 F C 1.157 177.042 175.800 0.142 0.000 1.084 284 F CA 0.696 58.785 58.000 0.148 0.000 1.147 284 F CB 0.202 39.300 39.000 0.162 0.000 1.088 284 F HN 0.487 8.787 8.300 -0.000 0.000 0.555 285 R N 2.633 123.029 120.500 -0.174 0.000 2.624 285 R HA 0.184 4.526 4.340 0.002 0.000 0.176 285 R C -0.452 175.811 176.300 -0.061 0.000 0.956 285 R CA -0.098 55.993 56.100 -0.016 0.000 1.723 285 R CB 0.342 30.680 30.300 0.063 0.000 1.693 285 R HN 0.483 8.753 8.270 -0.000 0.000 0.520 286 K N 0.042 120.352 120.400 -0.151 0.000 2.346 286 K HA 0.390 4.711 4.320 0.002 0.000 0.238 286 K C 0.703 177.249 176.600 -0.090 0.000 1.039 286 K CA -0.729 55.558 56.287 0.000 0.000 0.861 286 K CB 1.501 34.046 32.500 0.076 0.000 1.278 286 K HN -0.129 8.121 8.250 -0.000 0.000 0.460 287 I N 1.133 121.668 120.570 -0.058 0.000 2.248 287 I HA -0.266 3.906 4.170 0.002 0.000 0.248 287 I C 2.078 178.174 176.117 -0.035 0.000 1.107 287 I CA 1.890 63.105 61.300 -0.142 0.000 1.373 287 I CB -0.441 37.342 38.000 -0.361 0.000 1.055 287 I HN 0.945 9.155 8.210 -0.000 0.000 0.418 288 G N 0.107 108.881 108.800 -0.043 0.000 2.432 288 G HA2 -0.210 3.751 3.960 0.002 0.000 0.219 288 G HA3 -0.210 3.751 3.960 0.002 0.000 0.219 288 G C 1.242 176.110 174.900 -0.053 0.000 1.135 288 G CA 0.750 45.829 45.100 -0.035 0.000 0.767 288 G HN 0.335 8.625 8.290 -0.000 0.000 0.550 289 D N -0.084 120.249 120.400 -0.111 0.000 2.194 289 D HA -0.048 4.593 4.640 0.002 0.000 0.204 289 D C 1.921 178.192 176.300 -0.050 0.000 0.964 289 D CA 0.242 54.154 54.000 -0.147 0.000 0.846 289 D CB -0.200 40.366 40.800 -0.391 0.000 0.962 289 D HN 0.332 8.702 8.370 -0.000 0.000 0.490 290 F N 2.441 122.270 119.950 -0.201 0.000 2.113 290 F HA -0.071 4.457 4.527 0.002 0.000 0.297 290 F C 2.266 178.045 175.800 -0.035 0.000 1.103 290 F CA 1.303 59.336 58.000 0.055 0.000 1.248 290 F CB -0.106 38.865 39.000 -0.049 0.000 0.999 290 F HN -0.262 8.038 8.300 -0.000 0.000 0.475 291 R N 0.241 120.516 120.500 -0.375 0.000 2.075 291 R HA -0.125 4.216 4.340 0.002 0.000 0.232 291 R C 2.615 178.738 176.300 -0.295 0.000 1.126 291 R CA 1.708 57.536 56.100 -0.454 0.000 0.963 291 R CB -0.640 29.540 30.300 -0.200 0.000 0.858 291 R HN 0.493 8.763 8.270 -0.000 0.000 0.435 292 S N 0.676 116.288 115.700 -0.146 0.000 2.387 292 S HA -0.098 4.374 4.470 0.002 0.000 0.226 292 S C 1.949 176.505 174.600 -0.073 0.000 1.026 292 S CA 0.699 58.846 58.200 -0.090 0.000 0.972 292 S CB -0.230 62.951 63.200 -0.033 0.000 0.814 292 S HN 0.173 8.483 8.310 -0.000 0.000 0.477 293 L N 2.014 123.254 121.223 0.029 0.000 2.109 293 L HA 0.130 4.471 4.340 0.002 0.000 0.207 293 L C 2.646 179.607 176.870 0.151 0.000 1.086 293 L CA 1.807 56.745 54.840 0.162 0.000 0.760 293 L CB -0.873 41.485 42.059 0.499 0.000 0.910 293 L HN 0.306 8.536 8.230 -0.000 0.000 0.437 294 E N 0.082 120.222 120.200 -0.099 0.000 2.106 294 E HA -0.283 4.068 4.350 0.002 0.000 0.192 294 E C 2.145 178.657 176.600 -0.147 0.000 0.984 294 E CA 1.239 57.477 56.400 -0.269 0.000 0.806 294 E CB 0.044 29.181 29.700 -0.938 0.000 0.750 294 E HN 0.561 8.921 8.360 -0.000 0.000 0.458 295 K N 0.366 120.664 120.400 -0.170 0.000 2.025 295 K HA -0.083 4.239 4.320 0.002 0.000 0.207 295 K C 2.398 178.952 176.600 -0.078 0.000 1.049 295 K CA 1.286 57.501 56.287 -0.120 0.000 0.933 295 K CB -0.165 32.263 32.500 -0.120 0.000 0.714 295 K HN 0.094 8.344 8.250 -0.000 0.000 0.438 296 I N 1.492 122.008 120.570 -0.090 0.000 2.208 296 I HA -0.292 3.879 4.170 0.002 0.000 0.245 296 I C 2.411 178.505 176.117 -0.040 0.000 1.097 296 I CA 1.514 62.751 61.300 -0.105 0.000 1.363 296 I CB -0.447 37.401 38.000 -0.253 0.000 1.051 296 I HN 0.332 8.542 8.210 -0.000 0.000 0.413 297 S N 0.875 116.586 115.700 0.018 0.000 2.419 297 S HA -0.167 4.304 4.470 0.002 0.000 0.233 297 S C 2.040 176.659 174.600 0.031 0.000 1.016 297 S CA 0.877 59.110 58.200 0.056 0.000 0.974 297 S CB -0.395 62.900 63.200 0.159 0.000 0.786 297 S HN 0.445 8.755 8.310 -0.000 0.000 0.492 298 R N 0.550 121.056 120.500 0.010 0.000 2.246 298 R HA 0.227 4.569 4.340 0.002 0.000 0.199 298 R C 1.955 178.250 176.300 -0.009 0.000 0.984 298 R CA 0.948 57.048 56.100 -0.000 0.000 1.015 298 R CB 0.027 30.318 30.300 -0.015 0.000 0.930 298 R HN 0.606 8.876 8.270 -0.000 0.000 0.475 299 E N 0.103 120.293 120.200 -0.016 0.000 2.340 299 E HA 0.006 4.357 4.350 0.002 0.000 0.198 299 E C 0.562 177.157 176.600 -0.009 0.000 0.961 299 E CA 0.231 56.621 56.400 -0.016 0.000 0.905 299 E CB 0.857 30.541 29.700 -0.026 0.000 0.884 299 E HN 0.049 8.409 8.360 -0.000 0.000 0.491 300 V N -1.179 118.731 119.914 -0.006 0.000 3.093 300 V HA 0.345 4.466 4.120 0.002 0.000 0.320 300 V C 0.614 176.713 176.094 0.009 0.000 1.093 300 V CA -0.852 61.451 62.300 0.005 0.000 1.016 300 V CB 1.923 33.755 31.823 0.016 0.000 1.096 300 V HN -0.186 8.004 8.190 -0.000 0.000 0.452 301 K N 0.518 120.924 120.400 0.011 0.000 2.334 301 K HA 0.330 4.651 4.320 0.002 0.000 0.195 301 K C 0.626 177.231 176.600 0.008 0.000 1.045 301 K CA 0.857 57.148 56.287 0.007 0.000 1.004 301 K CB 0.607 33.109 32.500 0.004 0.000 0.837 301 K HN 0.745 8.995 8.250 -0.000 0.000 0.510 302 S N 0.399 116.109 115.700 0.017 0.000 2.575 302 S HA 0.625 5.096 4.470 0.002 0.000 0.278 302 S C -1.261 173.362 174.600 0.037 0.000 1.139 302 S CA -0.737 57.473 58.200 0.016 0.000 0.954 302 S CB 0.765 63.970 63.200 0.009 0.000 1.054 302 S HN 0.059 8.369 8.310 -0.000 0.000 0.483 303 I N 3.398 123.986 120.570 0.030 0.000 2.498 303 I HA 0.382 4.553 4.170 0.002 0.000 0.290 303 I C -0.471 175.659 176.117 0.022 0.000 1.032 303 I CA -0.540 60.793 61.300 0.056 0.000 1.073 303 I CB 2.604 40.639 38.000 0.060 0.000 1.251 303 I HN 0.472 8.682 8.210 -0.000 0.000 0.426 304 T N 6.667 121.235 114.554 0.023 0.000 2.779 304 T HA 0.588 4.940 4.350 0.002 0.000 0.280 304 T C -0.208 174.492 174.700 -0.001 0.000 0.987 304 T CA -0.319 61.777 62.100 -0.005 0.000 0.966 304 T CB 1.105 69.962 68.868 -0.019 0.000 0.933 304 T HN 0.251 8.491 8.240 -0.000 0.000 0.442 305 I N 3.879 124.444 120.570 -0.008 0.000 2.336 305 I HA 0.429 4.601 4.170 0.002 0.000 0.292 305 I C -0.228 175.900 176.117 0.019 0.000 0.991 305 I CA -0.676 60.627 61.300 0.004 0.000 1.227 305 I CB 1.194 39.188 38.000 -0.009 0.000 1.366 305 I HN 0.455 8.665 8.210 -0.000 0.000 0.466 306 I N 5.894 126.481 120.570 0.029 0.000 2.330 306 I HA 0.656 4.827 4.170 0.002 0.000 0.289 306 I C 0.311 176.471 176.117 0.072 0.000 1.001 306 I CA -0.251 61.075 61.300 0.044 0.000 1.193 306 I CB 1.362 39.376 38.000 0.023 0.000 1.345 306 I HN 0.798 9.008 8.210 -0.000 0.000 0.461 307 G N 3.347 112.225 108.800 0.129 0.000 2.634 307 G HA2 0.128 4.090 3.960 0.002 0.000 0.568 307 G HA3 0.128 4.090 3.960 0.002 0.000 0.568 307 G C -0.010 174.955 174.900 0.108 0.000 1.495 307 G CA -0.420 44.743 45.100 0.104 0.000 0.903 307 G HN 0.820 9.110 8.290 -0.000 0.000 0.646 308 G N 0.137 108.892 108.800 -0.075 0.000 3.233 308 G HA2 0.585 4.546 3.960 0.002 0.000 0.234 308 G HA3 0.585 4.546 3.960 0.002 0.000 0.234 308 G C 1.059 175.684 174.900 -0.459 0.000 1.137 308 G CA 1.096 45.888 45.100 -0.513 0.000 0.763 308 G HN 1.317 9.607 8.290 -0.000 0.000 0.549 309 G N -0.134 108.508 108.800 -0.264 0.000 2.631 309 G HA2 0.307 4.268 3.960 0.002 0.000 0.271 309 G HA3 0.307 4.268 3.960 0.002 0.000 0.271 309 G C 0.685 175.453 174.900 -0.220 0.000 1.302 309 G CA -0.543 44.401 45.100 -0.259 0.000 1.002 309 G HN 0.018 8.308 8.290 -0.000 0.000 0.519 310 F N -0.625 119.287 119.950 -0.062 0.000 2.095 310 F HA -0.083 4.445 4.527 0.002 0.000 0.298 310 F C 2.525 178.349 175.800 0.040 0.000 1.104 310 F CA 1.361 59.375 58.000 0.023 0.000 1.232 310 F CB -0.528 38.592 39.000 0.200 0.000 0.987 310 F HN 0.263 8.563 8.300 -0.000 0.000 0.475 311 L N 0.531 121.894 121.223 0.232 0.000 2.017 311 L HA -0.057 4.284 4.340 0.002 0.000 0.208 311 L C 2.463 179.350 176.870 0.029 0.000 1.073 311 L CA 2.272 57.188 54.840 0.128 0.000 0.745 311 L CB -1.541 40.600 42.059 0.136 0.000 0.894 311 L HN 0.136 8.366 8.230 -0.000 0.000 0.432 312 G N -1.610 107.199 108.800 0.014 0.000 2.440 312 G HA2 -0.262 3.699 3.960 0.002 0.000 0.218 312 G HA3 -0.262 3.699 3.960 0.002 0.000 0.218 312 G C 1.560 176.441 174.900 -0.030 0.000 1.154 312 G CA 0.971 46.060 45.100 -0.018 0.000 0.767 312 G HN 0.504 8.794 8.290 -0.000 0.000 0.552 313 S N 0.324 116.012 115.700 -0.021 0.000 2.402 313 S HA -0.034 4.437 4.470 0.002 0.000 0.229 313 S C 2.106 176.722 174.600 0.027 0.000 1.021 313 S CA 1.208 59.404 58.200 -0.006 0.000 0.974 313 S CB -0.122 63.054 63.200 -0.039 0.000 0.800 313 S HN 0.579 8.889 8.310 -0.000 0.000 0.484 314 E N 1.056 121.287 120.200 0.051 0.000 2.047 314 E HA -0.056 4.296 4.350 0.002 0.000 0.191 314 E C 1.964 178.521 176.600 -0.072 0.000 0.987 314 E CA 0.870 57.307 56.400 0.063 0.000 0.799 314 E CB -0.233 29.521 29.700 0.089 0.000 0.752 314 E HN 0.396 8.756 8.360 -0.000 0.000 0.449 315 L N 0.483 121.592 121.223 -0.191 0.000 2.131 315 L HA -0.165 4.177 4.340 0.002 0.000 0.210 315 L C 2.552 179.229 176.870 -0.322 0.000 1.092 315 L CA 0.792 55.392 54.840 -0.400 0.000 0.759 315 L CB -0.449 41.344 42.059 -0.443 0.000 0.903 315 L HN 0.159 8.389 8.230 -0.000 0.000 0.435 316 A N -0.668 122.051 122.820 -0.169 0.000 1.877 316 A HA -0.238 4.083 4.320 0.002 0.000 0.216 316 A C 2.391 179.908 177.584 -0.113 0.000 1.186 316 A CA 1.982 53.948 52.037 -0.117 0.000 0.620 316 A CB -1.121 17.853 19.000 -0.044 0.000 0.822 316 A HN 0.531 8.681 8.150 -0.000 0.000 0.443 317 C N -1.225 118.036 119.300 -0.065 0.000 2.466 317 C HA 0.163 4.624 4.460 0.002 0.000 0.278 317 C C 3.320 178.259 174.990 -0.086 0.000 1.288 317 C CA 0.542 59.548 59.018 -0.019 0.000 1.722 317 C CB -1.295 26.502 27.740 0.095 0.000 2.017 317 C HN 0.704 8.934 8.230 -0.000 0.000 0.488 318 A N 0.582 123.302 122.820 -0.167 0.000 1.858 318 A HA -0.111 4.211 4.320 0.002 0.000 0.216 318 A C 2.104 179.450 177.584 -0.397 0.000 1.190 318 A CA 1.497 53.332 52.037 -0.336 0.000 0.617 318 A CB -0.687 17.926 19.000 -0.646 0.000 0.827 318 A HN 0.589 8.739 8.150 -0.000 0.000 0.443 319 L N -0.679 120.262 121.223 -0.471 0.000 2.141 319 L HA -0.094 4.247 4.340 0.002 0.000 0.209 319 L C 2.794 179.568 176.870 -0.162 0.000 1.094 319 L CA 0.864 55.511 54.840 -0.322 0.000 0.763 319 L CB -0.700 41.173 42.059 -0.310 0.000 0.908 319 L HN 0.515 8.745 8.230 -0.000 0.000 0.437 320 G N -0.222 108.489 108.800 -0.148 0.000 2.421 320 G HA2 -0.236 3.725 3.960 0.002 0.000 0.216 320 G HA3 -0.236 3.725 3.960 0.002 0.000 0.216 320 G C 1.748 176.598 174.900 -0.084 0.000 1.171 320 G CA 0.397 45.441 45.100 -0.094 0.000 0.775 320 G HN 0.257 8.547 8.290 -0.000 0.000 0.543 321 R N 0.072 120.502 120.500 -0.116 0.000 2.081 321 R HA -0.018 4.323 4.340 0.002 0.000 0.235 321 R C 2.655 178.910 176.300 -0.076 0.000 1.131 321 R CA 1.113 57.145 56.100 -0.114 0.000 0.960 321 R CB -0.125 30.044 30.300 -0.218 0.000 0.856 321 R HN 0.147 8.417 8.270 -0.000 0.000 0.436 322 K N 0.494 120.859 120.400 -0.058 0.000 2.057 322 K HA -0.080 4.241 4.320 0.002 0.000 0.207 322 K C 2.040 178.639 176.600 -0.002 0.000 1.049 322 K CA 1.489 57.779 56.287 0.005 0.000 0.931 322 K CB -0.413 32.135 32.500 0.081 0.000 0.714 322 K HN 0.157 8.407 8.250 -0.000 0.000 0.440 323 A N 1.212 124.021 122.820 -0.018 0.000 2.019 323 A HA -0.169 4.152 4.320 0.002 0.000 0.219 323 A C 2.255 179.829 177.584 -0.016 0.000 1.164 323 A CA 1.503 53.531 52.037 -0.016 0.000 0.644 323 A CB -0.390 18.594 19.000 -0.026 0.000 0.805 323 A HN 0.244 8.394 8.150 -0.000 0.000 0.449 324 R N -0.540 119.946 120.500 -0.022 0.000 2.081 324 R HA -0.080 4.261 4.340 0.002 0.000 0.235 324 R C 2.246 178.540 176.300 -0.010 0.000 1.131 324 R CA 1.426 57.515 56.100 -0.018 0.000 0.960 324 R CB -0.317 29.970 30.300 -0.022 0.000 0.856 324 R HN 0.475 8.745 8.270 -0.000 0.000 0.436 325 A N -0.023 122.793 122.820 -0.006 0.000 1.970 325 A HA -0.017 4.304 4.320 0.002 0.000 0.216 325 A C 1.802 179.386 177.584 0.001 0.000 1.170 325 A CA 0.704 52.741 52.037 0.000 0.000 0.645 325 A CB -0.064 18.939 19.000 0.005 0.000 0.816 325 A HN 0.198 8.348 8.150 -0.000 0.000 0.447 326 L N -1.221 120.002 121.223 0.001 0.000 2.418 326 L HA 0.132 4.473 4.340 0.002 0.000 0.218 326 L C 1.690 178.559 176.870 -0.002 0.000 1.125 326 L CA 1.527 56.368 54.840 0.002 0.000 0.835 326 L CB -1.542 40.520 42.059 0.005 0.000 0.953 326 L HN 0.651 8.881 8.230 -0.000 0.000 0.454 327 G N 1.210 110.007 108.800 -0.005 0.000 2.182 327 G HA2 -0.277 3.684 3.960 0.002 0.000 0.248 327 G HA3 -0.277 3.684 3.960 0.002 0.000 0.248 327 G C 0.473 175.369 174.900 -0.007 0.000 1.042 327 G CA 0.647 45.743 45.100 -0.007 0.000 0.775 327 G HN 0.447 8.737 8.290 -0.000 0.000 0.501 328 T N -3.088 111.461 114.554 -0.008 0.000 2.876 328 T HA 0.760 5.111 4.350 0.002 0.000 0.277 328 T C -0.078 174.615 174.700 -0.013 0.000 0.997 328 T CA -0.156 61.939 62.100 -0.008 0.000 0.966 328 T CB 2.623 71.490 68.868 -0.003 0.000 1.312 328 T HN 0.433 8.673 8.240 -0.000 0.000 0.598 329 E N -0.467 119.725 120.200 -0.012 0.000 2.207 329 E HA 0.595 4.947 4.350 0.002 0.000 0.270 329 E C -1.788 174.800 176.600 -0.020 0.000 0.927 329 E CA -0.980 55.409 56.400 -0.018 0.000 0.799 329 E CB 1.803 31.494 29.700 -0.016 0.000 1.172 329 E HN 0.479 8.839 8.360 -0.000 0.000 0.404 330 V N 5.396 125.291 119.914 -0.031 0.000 2.623 330 V HA 0.438 4.560 4.120 0.002 0.000 0.304 330 V C -0.498 175.570 176.094 -0.042 0.000 1.054 330 V CA -0.606 61.671 62.300 -0.038 0.000 0.882 330 V CB 1.588 33.378 31.823 -0.056 0.000 1.002 330 V HN 0.638 8.828 8.190 -0.000 0.000 0.424 331 I N 3.944 124.490 120.570 -0.040 0.000 2.569 331 I HA 0.587 4.759 4.170 0.002 0.000 0.296 331 I C -0.486 175.601 176.117 -0.050 0.000 1.028 331 I CA -0.495 60.774 61.300 -0.052 0.000 1.082 331 I CB 2.171 40.140 38.000 -0.052 0.000 1.264 331 I HN 0.631 8.841 8.210 -0.000 0.000 0.429 332 Q N 6.687 126.448 119.800 -0.065 0.000 2.304 332 Q HA 0.655 4.997 4.340 0.002 0.000 0.270 332 Q C -2.004 173.903 176.000 -0.155 0.000 1.035 332 Q CA -0.809 54.972 55.803 -0.038 0.000 0.781 332 Q CB 2.264 31.026 28.738 0.040 0.000 1.261 332 Q HN 0.609 8.879 8.270 -0.000 0.000 0.444 333 L N 1.147 122.277 121.223 -0.154 0.000 2.371 333 L HA 0.915 5.256 4.340 0.002 0.000 0.262 333 L C -1.266 175.479 176.870 -0.210 0.000 1.006 333 L CA -0.755 53.865 54.840 -0.366 0.000 0.818 333 L CB 1.596 43.519 42.059 -0.226 0.000 1.354 333 L HN 0.548 8.778 8.230 -0.000 0.000 0.415 334 F N -1.490 118.433 119.950 -0.045 0.000 2.741 334 F HA 0.717 5.245 4.527 0.002 0.000 0.311 334 F C -2.550 173.225 175.800 -0.041 0.000 1.149 334 F CA -1.598 56.375 58.000 -0.045 0.000 0.930 334 F CB 0.553 39.519 39.000 -0.056 0.000 1.312 334 F HN 0.339 8.639 8.300 -0.000 0.000 0.450 335 P HA 0.001 4.421 4.420 -0.000 0.000 0.225 335 P C -0.155 177.242 177.300 0.161 0.000 1.156 335 P CA 1.057 64.232 63.100 0.124 0.000 0.787 335 P CB 0.388 32.132 31.700 0.072 0.000 0.802 336 E N 0.360 120.721 120.200 0.268 0.000 2.397 336 E HA 0.109 4.460 4.350 0.002 0.000 0.254 336 E C 1.277 178.023 176.600 0.245 0.000 1.231 336 E CA 0.072 56.575 56.400 0.170 0.000 0.954 336 E CB 0.333 30.033 29.700 -0.000 0.000 1.024 336 E HN -0.007 8.353 8.360 -0.000 0.000 0.481 337 K N -0.073 120.402 120.400 0.126 0.000 2.432 337 K HA 0.161 4.482 4.320 0.002 0.000 0.196 337 K C 0.467 177.163 176.600 0.160 0.000 1.038 337 K CA 0.584 56.938 56.287 0.112 0.000 0.986 337 K CB 0.288 32.817 32.500 0.048 0.000 0.782 337 K HN 0.493 8.743 8.250 -0.000 0.000 0.485 338 G N 0.255 109.150 108.800 0.158 0.000 2.576 338 G HA2 0.150 4.112 3.960 0.002 0.000 0.290 338 G HA3 0.150 4.112 3.960 0.002 0.000 0.290 338 G C -1.671 173.055 174.900 -0.290 0.000 1.442 338 G CA -1.077 44.080 45.100 0.096 0.000 0.792 338 G HN -0.037 8.253 8.290 -0.000 0.000 0.491 339 N N 0.008 118.506 118.700 -0.337 0.000 2.407 339 N HA 0.309 5.050 4.740 0.002 0.000 0.250 339 N C 0.791 175.966 175.510 -0.559 0.000 1.236 339 N CA 0.378 53.056 53.050 -0.621 0.000 0.879 339 N CB 0.206 38.495 38.487 -0.329 0.000 1.088 339 N HN 0.623 9.003 8.380 -0.000 0.000 0.450 340 M N -0.244 118.957 119.600 -0.664 0.000 2.393 340 M HA -0.204 4.277 4.480 0.002 0.000 0.201 340 M C 1.235 177.291 176.300 -0.406 0.000 0.403 340 M CA 0.876 55.803 55.300 -0.621 0.000 0.471 340 M CB -1.763 30.298 32.600 -0.899 0.000 1.669 340 M HN 0.780 9.070 8.290 -0.000 0.000 0.864 341 G N -0.017 108.567 108.800 -0.361 0.000 2.448 341 G HA2 -0.193 3.768 3.960 0.002 0.000 0.219 341 G HA3 -0.193 3.768 3.960 0.002 0.000 0.219 341 G C 1.405 176.227 174.900 -0.131 0.000 1.127 341 G CA 0.918 45.894 45.100 -0.207 0.000 0.766 341 G HN 0.603 8.893 8.290 -0.000 0.000 0.552 342 K N -0.611 119.702 120.400 -0.145 0.000 2.432 342 K HA 0.264 4.585 4.320 0.002 0.000 0.196 342 K C 1.704 178.271 176.600 -0.055 0.000 1.038 342 K CA 0.254 56.492 56.287 -0.081 0.000 0.986 342 K CB 0.159 32.609 32.500 -0.083 0.000 0.782 342 K HN 0.383 8.633 8.250 -0.000 0.000 0.485 343 I N -0.189 120.331 120.570 -0.082 0.000 3.570 343 I HA 0.026 4.197 4.170 0.002 0.000 0.270 343 I C 0.394 176.559 176.117 0.081 0.000 1.162 343 I CA -0.089 61.197 61.300 -0.023 0.000 1.413 343 I CB 0.456 38.423 38.000 -0.055 0.000 1.437 343 I HN -0.087 8.123 8.210 -0.000 0.000 0.457 344 L N 2.448 123.660 121.223 -0.017 0.000 2.350 344 L HA 0.328 4.669 4.340 0.002 0.000 0.275 344 L C -2.296 174.584 176.870 0.017 0.000 1.099 344 L CA -1.757 53.097 54.840 0.024 0.000 0.808 344 L CB 0.111 42.104 42.059 -0.109 0.000 1.149 344 L HN -0.193 8.037 8.230 -0.000 0.000 0.442 345 P HA 0.004 4.424 4.420 -0.000 0.000 0.272 345 P C 0.490 177.801 177.300 0.018 0.000 1.230 345 P CA -0.306 62.809 63.100 0.025 0.000 0.788 345 P CB 0.624 32.342 31.700 0.029 0.000 0.949 346 E N 0.909 121.127 120.200 0.030 0.000 2.114 346 E HA -0.311 4.040 4.350 0.002 0.000 0.199 346 E C 1.507 178.125 176.600 0.030 0.000 1.008 346 E CA 1.510 57.925 56.400 0.026 0.000 0.810 346 E CB -0.411 29.317 29.700 0.046 0.000 0.739 346 E HN 0.506 8.866 8.360 -0.000 0.000 0.456 347 Y N 0.651 120.936 120.300 -0.024 0.000 2.097 347 Y HA -0.233 4.319 4.550 0.002 0.000 0.282 347 Y C 2.038 177.873 175.900 -0.107 0.000 1.152 347 Y CA 1.769 59.837 58.100 -0.054 0.000 1.136 347 Y CB -0.513 37.904 38.460 -0.071 0.000 0.975 347 Y HN 0.175 8.455 8.280 -0.000 0.000 0.498 348 L N -0.438 120.534 121.223 -0.418 0.000 2.240 348 L HA -0.037 4.304 4.340 0.002 0.000 0.211 348 L C 2.638 179.319 176.870 -0.315 0.000 1.106 348 L CA 1.919 56.406 54.840 -0.588 0.000 0.793 348 L CB -1.166 40.654 42.059 -0.398 0.000 0.927 348 L HN 0.369 8.599 8.230 -0.000 0.000 0.446 349 S N -0.461 115.116 115.700 -0.205 0.000 2.356 349 S HA -0.241 4.230 4.470 0.002 0.000 0.223 349 S C 2.030 176.548 174.600 -0.137 0.000 1.032 349 S CA 1.695 59.792 58.200 -0.172 0.000 1.005 349 S CB -0.529 62.588 63.200 -0.138 0.000 0.867 349 S HN 0.697 9.007 8.310 -0.000 0.000 0.449 350 N N -0.835 117.787 118.700 -0.129 0.000 2.120 350 N HA -0.179 4.562 4.740 0.002 0.000 0.188 350 N C 1.749 177.185 175.510 -0.123 0.000 1.024 350 N CA 1.570 54.560 53.050 -0.099 0.000 0.852 350 N CB -0.465 37.980 38.487 -0.071 0.000 1.003 350 N HN 0.679 9.059 8.380 -0.000 0.000 0.424 351 W N 1.898 122.960 121.300 -0.397 0.000 2.338 351 W HA -0.128 4.533 4.660 0.002 0.000 0.304 351 W C 2.208 178.605 176.519 -0.203 0.000 1.212 351 W CA 1.958 59.084 57.345 -0.365 0.000 1.264 351 W CB -0.543 28.526 29.460 -0.651 0.000 1.142 351 W HN -0.037 8.143 8.180 -0.000 0.000 0.512 352 T N 0.985 115.582 114.554 0.071 0.000 2.746 352 T HA -0.311 4.040 4.350 0.002 0.000 0.267 352 T C 1.785 176.410 174.700 -0.124 0.000 1.039 352 T CA 1.819 63.949 62.100 0.049 0.000 1.142 352 T CB -0.585 68.329 68.868 0.076 0.000 0.866 352 T HN 0.304 8.544 8.240 -0.000 0.000 0.444 353 M N 1.063 120.598 119.600 -0.109 0.000 2.159 353 M HA -0.137 4.344 4.480 0.002 0.000 0.263 353 M C 2.116 178.333 176.300 -0.138 0.000 1.063 353 M CA 1.697 56.956 55.300 -0.068 0.000 1.110 353 M CB -0.142 32.456 32.600 -0.002 0.000 1.374 353 M HN 0.227 8.517 8.290 -0.000 0.000 0.411 354 E N 0.088 120.147 120.200 -0.235 0.000 2.106 354 E HA -0.252 4.099 4.350 0.002 0.000 0.192 354 E C 1.877 178.273 176.600 -0.340 0.000 0.984 354 E CA 1.411 57.644 56.400 -0.277 0.000 0.806 354 E CB -0.175 29.323 29.700 -0.337 0.000 0.750 354 E HN 0.413 8.773 8.360 -0.000 0.000 0.458 355 K N 1.417 121.511 120.400 -0.510 0.000 2.032 355 K HA -0.158 4.164 4.320 0.002 0.000 0.209 355 K C 1.898 178.379 176.600 -0.198 0.000 1.048 355 K CA 1.521 57.536 56.287 -0.452 0.000 0.927 355 K CB -0.632 31.531 32.500 -0.562 0.000 0.712 355 K HN -0.022 8.228 8.250 -0.000 0.000 0.441 356 V N 1.255 121.089 119.914 -0.134 0.000 2.407 356 V HA -0.178 3.943 4.120 0.002 0.000 0.248 356 V C 2.503 178.555 176.094 -0.070 0.000 1.055 356 V CA 2.163 64.425 62.300 -0.063 0.000 1.049 356 V CB -0.556 31.253 31.823 -0.024 0.000 0.662 356 V HN 0.337 8.527 8.190 -0.000 0.000 0.455 357 R N -0.238 120.208 120.500 -0.090 0.000 2.115 357 R HA -0.064 4.277 4.340 0.002 0.000 0.230 357 R C 2.435 178.687 176.300 -0.079 0.000 1.111 357 R CA 1.056 57.108 56.100 -0.080 0.000 0.976 357 R CB -0.268 29.981 30.300 -0.085 0.000 0.870 357 R HN 0.467 8.737 8.270 -0.000 0.000 0.445 358 R N 0.444 120.884 120.500 -0.100 0.000 2.285 358 R HA -0.059 4.283 4.340 0.002 0.000 0.213 358 R C 1.064 177.329 176.300 -0.057 0.000 1.068 358 R CA 0.633 56.684 56.100 -0.083 0.000 1.004 358 R CB 0.139 30.375 30.300 -0.106 0.000 0.873 358 R HN 0.202 8.472 8.270 -0.000 0.000 0.467 359 E N -0.583 119.585 120.200 -0.053 0.000 2.489 359 E HA 0.054 4.405 4.350 0.002 0.000 0.193 359 E C 1.103 177.679 176.600 -0.041 0.000 1.057 359 E CA 0.588 56.965 56.400 -0.038 0.000 0.866 359 E CB 0.885 30.566 29.700 -0.030 0.000 0.916 359 E HN 0.512 8.872 8.360 -0.000 0.000 0.500 360 G N 0.781 109.554 108.800 -0.044 0.000 2.176 360 G HA2 -0.264 3.697 3.960 0.002 0.000 0.232 360 G HA3 -0.264 3.697 3.960 0.002 0.000 0.232 360 G C 0.458 175.332 174.900 -0.044 0.000 0.986 360 G CA 0.225 45.300 45.100 -0.041 0.000 0.643 360 G HN 0.164 8.454 8.290 -0.000 0.000 0.522 361 V N 1.386 121.271 119.914 -0.048 0.000 2.614 361 V HA 0.329 4.451 4.120 0.002 0.000 0.291 361 V C 0.795 176.858 176.094 -0.052 0.000 1.049 361 V CA 0.025 62.295 62.300 -0.049 0.000 1.038 361 V CB 1.442 33.237 31.823 -0.046 0.000 0.980 361 V HN 0.285 8.475 8.190 -0.000 0.000 0.481 362 K N 3.753 124.120 120.400 -0.055 0.000 2.263 362 K HA 0.437 4.758 4.320 0.002 0.000 0.282 362 K C -0.915 175.634 176.600 -0.085 0.000 1.089 362 K CA -0.322 55.926 56.287 -0.065 0.000 0.907 362 K CB 1.194 33.657 32.500 -0.062 0.000 1.148 362 K HN 0.463 8.713 8.250 -0.000 0.000 0.470 363 V N 5.075 124.933 119.914 -0.093 0.000 2.407 363 V HA 0.291 4.412 4.120 0.002 0.000 0.278 363 V C 0.083 176.045 176.094 -0.220 0.000 1.037 363 V CA -0.523 61.694 62.300 -0.137 0.000 0.900 363 V CB 1.071 32.858 31.823 -0.061 0.000 0.983 363 V HN 0.729 8.919 8.190 -0.000 0.000 0.459 364 M N 8.240 127.622 119.600 -0.363 0.000 2.065 364 M HA 0.366 4.847 4.480 0.002 0.000 0.332 364 M C -2.610 173.326 176.300 -0.607 0.000 0.988 364 M CA -1.506 53.574 55.300 -0.367 0.000 0.944 364 M CB 1.763 34.207 32.600 -0.261 0.000 1.357 364 M HN 0.398 8.688 8.290 -0.000 0.000 0.388 365 P HA 0.249 4.669 4.420 -0.000 0.000 0.277 365 P C -0.761 176.423 177.300 -0.193 0.000 1.271 365 P CA -0.020 62.821 63.100 -0.430 0.000 0.795 365 P CB 0.393 32.056 31.700 -0.063 0.000 1.101 366 N N -3.148 115.522 118.700 -0.051 0.000 2.708 366 N HA -0.176 4.565 4.740 0.002 0.000 0.249 366 N C -0.365 175.112 175.510 -0.056 0.000 1.097 366 N CA 0.555 53.591 53.050 -0.023 0.000 0.710 366 N CB -1.940 36.533 38.487 -0.023 0.000 1.032 366 N HN 0.587 8.967 8.380 -0.000 0.000 0.551 367 A N 0.685 123.453 122.820 -0.088 0.000 2.253 367 A HA 0.585 4.906 4.320 0.002 0.000 0.316 367 A C -0.029 177.530 177.584 -0.041 0.000 1.327 367 A CA -0.464 51.521 52.037 -0.087 0.000 0.917 367 A CB 0.540 19.449 19.000 -0.152 0.000 1.162 367 A HN 0.247 8.397 8.150 -0.000 0.000 0.535 368 I N 4.204 124.757 120.570 -0.028 0.000 2.307 368 I HA 0.174 4.345 4.170 0.002 0.000 0.289 368 I C 0.103 176.209 176.117 -0.018 0.000 1.021 368 I CA -0.465 60.828 61.300 -0.013 0.000 1.224 368 I CB 1.081 39.076 38.000 -0.008 0.000 1.376 368 I HN 0.277 8.487 8.210 -0.000 0.000 0.470 369 V N 7.224 127.130 119.914 -0.014 0.000 2.521 369 V HA 0.022 4.143 4.120 0.002 0.000 0.286 369 V C 1.307 177.394 176.094 -0.013 0.000 1.034 369 V CA 0.162 62.452 62.300 -0.016 0.000 1.045 369 V CB 1.214 33.029 31.823 -0.013 0.000 0.974 369 V HN 0.815 9.005 8.190 -0.000 0.000 0.480 370 Q N 3.398 123.189 119.800 -0.015 0.000 2.287 370 Q HA 0.093 4.434 4.340 0.002 0.000 0.201 370 Q C 0.674 176.667 176.000 -0.011 0.000 0.946 370 Q CA 1.107 56.903 55.803 -0.012 0.000 0.868 370 Q CB 0.887 29.617 28.738 -0.013 0.000 0.967 370 Q HN 0.920 9.190 8.270 -0.000 0.000 0.516 371 S N -1.475 114.217 115.700 -0.013 0.000 2.615 371 S HA 0.649 5.120 4.470 0.002 0.000 0.269 371 S C -1.162 173.429 174.600 -0.015 0.000 1.161 371 S CA -0.852 57.341 58.200 -0.012 0.000 0.817 371 S CB 2.072 65.266 63.200 -0.011 0.000 1.131 371 S HN -0.011 8.299 8.310 -0.000 0.000 0.467 372 V N 0.462 120.367 119.914 -0.014 0.000 2.777 372 V HA 0.879 5.001 4.120 0.002 0.000 0.306 372 V C 0.440 176.525 176.094 -0.014 0.000 1.112 372 V CA 0.316 62.606 62.300 -0.017 0.000 0.917 372 V CB 1.433 33.244 31.823 -0.020 0.000 1.018 372 V HN 1.486 9.676 8.190 -0.000 0.000 0.426 373 G N 2.339 111.131 108.800 -0.014 0.000 2.827 373 G HA2 0.703 4.664 3.960 0.002 0.000 0.296 373 G HA3 0.703 4.664 3.960 0.002 0.000 0.296 373 G C -1.809 173.085 174.900 -0.009 0.000 1.362 373 G CA -0.623 44.471 45.100 -0.010 0.000 0.809 373 G HN 0.550 8.840 8.290 -0.000 0.000 0.522 374 V N 0.537 120.447 119.914 -0.006 0.000 2.417 374 V HA 0.689 4.810 4.120 0.002 0.000 0.291 374 V C -0.099 175.994 176.094 -0.003 0.000 1.024 374 V CA -0.628 61.670 62.300 -0.003 0.000 0.861 374 V CB 1.341 33.164 31.823 0.000 0.000 0.985 374 V HN 0.726 8.916 8.190 -0.000 0.000 0.436 375 S N 3.405 119.103 115.700 -0.003 0.000 2.707 375 S HA 0.480 4.952 4.470 0.002 0.000 0.303 375 S C 0.288 174.887 174.600 -0.001 0.000 1.132 375 S CA 0.157 58.355 58.200 -0.003 0.000 1.046 375 S CB 0.946 64.143 63.200 -0.005 0.000 1.004 375 S HN 2.010 10.319 8.310 -0.000 0.000 0.483 376 S N 3.050 118.750 115.700 -0.000 0.000 3.682 376 S HA -0.139 4.332 4.470 0.002 0.000 0.354 376 S C 1.334 175.936 174.600 0.003 0.000 1.034 376 S CA 1.295 59.496 58.200 0.001 0.000 1.084 376 S CB -2.322 60.878 63.200 -0.000 0.000 0.903 376 S HN 2.635 10.945 8.310 -0.000 0.000 0.470 377 G N -0.716 108.086 108.800 0.004 0.000 2.179 377 G HA2 -0.299 3.662 3.960 0.002 0.000 0.260 377 G HA3 -0.299 3.662 3.960 0.002 0.000 0.260 377 G C -0.007 174.899 174.900 0.010 0.000 0.977 377 G CA 0.691 45.796 45.100 0.008 0.000 0.641 377 G HN 0.931 9.221 8.290 -0.000 0.000 0.533 378 K N 0.105 120.509 120.400 0.006 0.000 2.156 378 K HA 0.668 4.989 4.320 0.002 0.000 0.250 378 K C 0.404 177.005 176.600 0.002 0.000 0.955 378 K CA -0.891 55.400 56.287 0.007 0.000 0.855 378 K CB 1.831 34.333 32.500 0.003 0.000 1.101 378 K HN 0.202 8.452 8.250 -0.000 0.000 0.434 379 L N 2.203 123.426 121.223 0.001 0.000 2.331 379 L HA 0.243 4.584 4.340 0.002 0.000 0.278 379 L C -0.181 176.682 176.870 -0.012 0.000 1.106 379 L CA -0.785 54.050 54.840 -0.009 0.000 0.824 379 L CB 0.324 42.373 42.059 -0.018 0.000 1.142 379 L HN 0.265 8.495 8.230 -0.000 0.000 0.443 380 L N 5.635 126.850 121.223 -0.014 0.000 2.342 380 L HA 0.512 4.853 4.340 0.002 0.000 0.276 380 L C -0.533 176.325 176.870 -0.019 0.000 0.997 380 L CA 0.032 54.863 54.840 -0.016 0.000 0.838 380 L CB 1.231 43.282 42.059 -0.013 0.000 1.224 380 L HN 0.354 8.584 8.230 -0.000 0.000 0.416 381 I N 5.148 125.704 120.570 -0.023 0.000 2.312 381 I HA 0.322 4.494 4.170 0.002 0.000 0.290 381 I C -0.053 176.048 176.117 -0.026 0.000 1.008 381 I CA -0.532 60.752 61.300 -0.026 0.000 1.226 381 I CB 0.853 38.834 38.000 -0.032 0.000 1.371 381 I HN 0.478 8.688 8.210 -0.000 0.000 0.468 382 K N 7.365 127.751 120.400 -0.023 0.000 2.213 382 K HA 0.596 4.917 4.320 0.002 0.000 0.270 382 K C -0.878 175.707 176.600 -0.025 0.000 1.002 382 K CA -0.537 55.736 56.287 -0.023 0.000 0.868 382 K CB 1.659 34.148 32.500 -0.018 0.000 1.093 382 K HN 0.477 8.727 8.250 -0.000 0.000 0.454 383 L N 2.670 123.876 121.223 -0.029 0.000 2.344 383 L HA 0.298 4.639 4.340 0.002 0.000 0.272 383 L C 1.628 178.483 176.870 -0.025 0.000 1.035 383 L CA -0.582 54.239 54.840 -0.031 0.000 0.807 383 L CB 1.295 43.328 42.059 -0.042 0.000 1.237 383 L HN 0.671 8.901 8.230 -0.000 0.000 0.442 384 K N 1.073 121.459 120.400 -0.023 0.000 2.103 384 K HA -0.189 4.132 4.320 0.002 0.000 0.207 384 K C 1.065 177.653 176.600 -0.019 0.000 1.048 384 K CA 2.096 58.372 56.287 -0.018 0.000 0.930 384 K CB 0.091 32.582 32.500 -0.015 0.000 0.716 384 K HN 0.838 9.088 8.250 -0.000 0.000 0.444 385 D N -1.718 118.667 120.400 -0.024 0.000 2.378 385 D HA 0.028 4.669 4.640 0.002 0.000 0.227 385 D C 1.072 177.358 176.300 -0.024 0.000 1.012 385 D CA 0.828 54.814 54.000 -0.024 0.000 0.905 385 D CB 0.321 41.104 40.800 -0.029 0.000 0.895 385 D HN 0.421 8.791 8.370 -0.000 0.000 0.532 386 G N -0.261 108.525 108.800 -0.024 0.000 2.254 386 G HA2 -0.294 3.667 3.960 0.002 0.000 0.225 386 G HA3 -0.294 3.667 3.960 0.002 0.000 0.225 386 G C 0.416 175.301 174.900 -0.025 0.000 1.003 386 G CA -0.249 44.837 45.100 -0.022 0.000 0.622 386 G HN 0.410 8.700 8.290 -0.000 0.000 0.507 387 R N 0.837 121.318 120.500 -0.031 0.000 2.643 387 R HA 0.513 4.854 4.340 0.002 0.000 0.270 387 R C -0.062 176.218 176.300 -0.034 0.000 1.061 387 R CA 0.453 56.532 56.100 -0.035 0.000 1.107 387 R CB 0.365 30.637 30.300 -0.045 0.000 0.999 387 R HN 0.283 8.553 8.270 -0.000 0.000 0.460 388 K N 1.033 121.414 120.400 -0.032 0.000 2.378 388 K HA 0.416 4.737 4.320 0.002 0.000 0.252 388 K C -1.303 175.278 176.600 -0.032 0.000 0.931 388 K CA -0.717 55.553 56.287 -0.029 0.000 0.794 388 K CB 2.572 35.058 32.500 -0.023 0.000 1.181 388 K HN 0.154 8.404 8.250 -0.000 0.000 0.425 389 V N 2.095 121.989 119.914 -0.033 0.000 2.444 389 V HA 0.252 4.373 4.120 0.002 0.000 0.294 389 V C -0.519 175.559 176.094 -0.026 0.000 1.022 389 V CA -0.731 61.549 62.300 -0.033 0.000 0.850 389 V CB 1.499 33.297 31.823 -0.042 0.000 0.992 389 V HN 0.755 8.945 8.190 -0.000 0.000 0.426 390 E N 2.794 122.981 120.200 -0.022 0.000 2.156 390 E HA 0.641 4.992 4.350 0.002 0.000 0.279 390 E C -0.694 175.900 176.600 -0.011 0.000 0.965 390 E CA -0.074 56.318 56.400 -0.015 0.000 0.789 390 E CB 1.661 31.353 29.700 -0.012 0.000 1.098 390 E HN 0.749 9.109 8.360 -0.000 0.000 0.397 391 T N 2.214 116.764 114.554 -0.005 0.000 2.762 391 T HA 0.180 4.531 4.350 0.002 0.000 0.301 391 T C -0.527 174.185 174.700 0.020 0.000 1.299 391 T CA -0.600 61.503 62.100 0.005 0.000 1.005 391 T CB 1.292 70.160 68.868 0.000 0.000 1.377 391 T HN 0.435 8.675 8.240 -0.000 0.000 0.504 392 D N -0.167 120.259 120.400 0.043 0.000 2.338 392 D HA 0.186 4.827 4.640 0.002 0.000 0.208 392 D C 0.230 176.609 176.300 0.133 0.000 0.997 392 D CA 0.818 54.860 54.000 0.069 0.000 0.880 392 D CB 0.352 41.191 40.800 0.064 0.000 0.980 392 D HN 0.542 8.912 8.370 -0.000 0.000 0.509 393 H N -1.114 117.963 119.070 0.011 0.000 3.064 393 H HA 0.505 5.062 4.556 0.002 0.000 0.352 393 H C -1.607 173.733 175.328 0.020 0.000 1.260 393 H CA -0.571 55.490 56.048 0.020 0.000 1.160 393 H CB 1.471 31.251 29.762 0.030 0.000 1.879 393 H HN -0.265 8.015 8.280 -0.000 0.000 0.544 394 I N 3.502 123.799 120.570 -0.455 0.000 2.569 394 I HA 0.440 4.612 4.170 0.002 0.000 0.296 394 I C -0.833 175.199 176.117 -0.141 0.000 1.028 394 I CA -1.119 60.061 61.300 -0.200 0.000 1.082 394 I CB 2.160 40.068 38.000 -0.154 0.000 1.264 394 I HN 0.240 8.450 8.210 -0.000 0.000 0.429 395 V N 4.673 124.598 119.914 0.019 0.000 2.487 395 V HA 0.667 4.788 4.120 0.002 0.000 0.298 395 V C -0.003 176.130 176.094 0.064 0.000 1.028 395 V CA -0.591 61.766 62.300 0.094 0.000 0.860 395 V CB 1.584 33.482 31.823 0.124 0.000 0.991 395 V HN 0.807 8.997 8.190 -0.000 0.000 0.427 396 A N 3.765 126.635 122.820 0.082 0.000 2.304 396 A HA 0.892 5.213 4.320 0.002 0.000 0.323 396 A C 0.187 177.829 177.584 0.098 0.000 1.195 396 A CA -0.194 51.885 52.037 0.070 0.000 0.826 396 A CB 1.291 20.323 19.000 0.054 0.000 1.184 396 A HN 1.482 9.632 8.150 -0.000 0.000 0.496 397 A N 2.487 125.353 122.820 0.078 0.000 3.216 397 A HA 0.511 4.832 4.320 0.002 0.000 0.321 397 A C -0.023 177.598 177.584 0.060 0.000 1.042 397 A CA 0.081 52.169 52.037 0.085 0.000 0.838 397 A CB -0.039 19.003 19.000 0.069 0.000 1.136 397 A HN 1.876 10.026 8.150 -0.000 0.000 0.483 398 V N -1.121 118.828 119.914 0.058 0.000 2.854 398 V HA 0.693 4.814 4.120 0.002 0.000 0.366 398 V C 0.516 176.632 176.094 0.037 0.000 1.322 398 V CA 0.126 62.450 62.300 0.039 0.000 1.243 398 V CB -0.835 31.009 31.823 0.035 0.000 1.337 398 V HN 2.091 10.281 8.190 -0.000 0.000 0.585 399 G N 1.323 110.151 108.800 0.047 0.000 2.655 399 G HA2 0.222 4.183 3.960 0.002 0.000 0.680 399 G HA3 0.222 4.183 3.960 0.002 0.000 0.680 399 G C -1.244 173.689 174.900 0.055 0.000 1.302 399 G CA -0.263 44.864 45.100 0.045 0.000 0.872 399 G HN 1.756 10.046 8.290 -0.000 0.000 0.540 400 L N -3.065 118.189 121.223 0.050 0.000 2.350 400 L HA 1.032 5.373 4.340 0.002 0.000 0.260 400 L C -0.434 176.462 176.870 0.042 0.000 1.015 400 L CA -1.779 53.093 54.840 0.054 0.000 0.821 400 L CB 1.923 44.023 42.059 0.069 0.000 1.370 400 L HN 0.793 9.023 8.230 -0.000 0.000 0.416 401 E N 1.546 121.769 120.200 0.039 0.000 2.114 401 E HA 0.607 4.958 4.350 0.002 0.000 0.266 401 E C -2.588 174.031 176.600 0.031 0.000 0.896 401 E CA -2.204 54.212 56.400 0.026 0.000 0.750 401 E CB 1.414 31.125 29.700 0.018 0.000 1.121 401 E HN 0.533 8.893 8.360 -0.000 0.000 0.413 402 P HA 0.003 4.423 4.420 -0.000 0.000 0.265 402 P C -0.751 176.564 177.300 0.024 0.000 1.187 402 P CA 0.036 63.161 63.100 0.043 0.000 0.766 402 P CB 0.450 32.170 31.700 0.035 0.000 0.820 403 N N 2.374 121.117 118.700 0.070 0.000 2.605 403 N HA 0.069 4.811 4.740 0.002 0.000 0.258 403 N C 0.375 175.941 175.510 0.092 0.000 1.156 403 N CA 0.069 53.165 53.050 0.076 0.000 1.008 403 N CB 0.107 38.657 38.487 0.106 0.000 1.354 403 N HN 0.179 8.559 8.380 -0.000 0.000 0.509 404 V N -0.746 119.118 119.914 -0.083 0.000 3.043 404 V HA 0.234 4.355 4.120 0.002 0.000 0.357 404 V C 1.486 177.507 176.094 -0.122 0.000 1.372 404 V CA -0.305 61.786 62.300 -0.348 0.000 1.214 404 V CB 0.333 31.708 31.823 -0.747 0.000 1.224 404 V HN 0.173 8.363 8.190 -0.000 0.000 0.507 405 E N 1.636 121.848 120.200 0.020 0.000 2.160 405 E HA -0.146 4.205 4.350 0.002 0.000 0.195 405 E C 1.651 178.304 176.600 0.088 0.000 0.991 405 E CA 1.777 58.201 56.400 0.040 0.000 0.810 405 E CB -0.440 29.291 29.700 0.051 0.000 0.742 405 E HN 0.723 9.083 8.360 -0.000 0.000 0.466 406 L N -0.316 121.016 121.223 0.181 0.000 2.456 406 L HA -0.013 4.329 4.340 0.002 0.000 0.224 406 L C 2.245 179.254 176.870 0.232 0.000 1.148 406 L CA 0.606 55.567 54.840 0.202 0.000 0.825 406 L CB -0.447 41.744 42.059 0.220 0.000 0.937 406 L HN 0.193 8.423 8.230 -0.000 0.000 0.450 407 A N 0.226 123.190 122.820 0.240 0.000 2.019 407 A HA -0.187 4.134 4.320 0.002 0.000 0.219 407 A C 2.284 179.927 177.584 0.098 0.000 1.164 407 A CA 1.281 53.437 52.037 0.198 0.000 0.644 407 A CB -0.171 18.816 19.000 -0.021 0.000 0.805 407 A HN 0.328 8.478 8.150 -0.000 0.000 0.449 408 K N -0.457 119.982 120.400 0.064 0.000 1.965 408 K HA -0.137 4.184 4.320 0.002 0.000 0.214 408 K C 2.303 178.935 176.600 0.053 0.000 1.046 408 K CA 2.055 58.368 56.287 0.044 0.000 0.944 408 K CB -0.688 31.831 32.500 0.032 0.000 0.726 408 K HN 0.653 8.903 8.250 -0.000 0.000 0.441 409 T N -1.465 113.125 114.554 0.060 0.000 2.915 409 T HA -0.066 4.285 4.350 0.002 0.000 0.269 409 T C 2.054 176.794 174.700 0.066 0.000 1.071 409 T CA 1.164 63.298 62.100 0.057 0.000 1.132 409 T CB -0.508 68.394 68.868 0.057 0.000 0.878 409 T HN 0.323 8.563 8.240 -0.000 0.000 0.479 410 G N 0.762 109.615 108.800 0.088 0.000 2.572 410 G HA2 0.364 4.325 3.960 0.002 0.000 0.216 410 G HA3 0.364 4.325 3.960 0.002 0.000 0.216 410 G C 1.290 176.240 174.900 0.083 0.000 1.133 410 G CA 0.106 45.262 45.100 0.094 0.000 0.791 410 G HN 1.203 9.493 8.290 -0.000 0.000 0.538 411 G N -0.323 108.523 108.800 0.076 0.000 2.249 411 G HA2 -0.265 3.696 3.960 0.002 0.000 0.273 411 G HA3 -0.265 3.696 3.960 0.002 0.000 0.273 411 G C 0.244 175.188 174.900 0.072 0.000 1.036 411 G CA 0.394 45.530 45.100 0.060 0.000 0.824 411 G HN 0.506 8.796 8.290 -0.000 0.000 0.504 412 L N 0.203 121.494 121.223 0.114 0.000 2.357 412 L HA 0.480 4.821 4.340 0.002 0.000 0.273 412 L C 1.056 177.997 176.870 0.120 0.000 1.080 412 L CA -0.972 53.956 54.840 0.147 0.000 0.803 412 L CB 0.977 43.201 42.059 0.275 0.000 1.174 412 L HN 0.498 8.728 8.230 -0.000 0.000 0.443 413 E N 3.309 123.572 120.200 0.105 0.000 2.313 413 E HA 0.460 4.811 4.350 0.002 0.000 0.276 413 E C -0.775 175.860 176.600 0.057 0.000 1.031 413 E CA -0.557 55.882 56.400 0.065 0.000 0.857 413 E CB 1.314 31.048 29.700 0.056 0.000 1.040 413 E HN 0.541 8.901 8.360 -0.000 0.000 0.408 414 I N -1.190 119.373 120.570 -0.013 0.000 2.797 414 I HA 0.454 4.626 4.170 0.002 0.000 0.307 414 I C -0.426 175.678 176.117 -0.022 0.000 1.033 414 I CA -1.145 60.114 61.300 -0.068 0.000 1.071 414 I CB 2.025 39.918 38.000 -0.179 0.000 1.255 414 I HN 0.411 8.621 8.210 -0.000 0.000 0.445 415 D N 2.898 123.295 120.400 -0.005 0.000 2.347 415 D HA 0.123 4.765 4.640 0.002 0.000 0.235 415 D C 1.041 177.317 176.300 -0.040 0.000 1.149 415 D CA -0.072 53.939 54.000 0.018 0.000 0.850 415 D CB 1.657 42.524 40.800 0.111 0.000 1.061 415 D HN 0.766 9.136 8.370 -0.000 0.000 0.487 416 S N 2.613 118.270 115.700 -0.073 0.000 2.453 416 S HA -0.112 4.359 4.470 0.002 0.000 0.231 416 S C 0.990 175.487 174.600 -0.172 0.000 1.005 416 S CA 0.601 58.740 58.200 -0.102 0.000 0.949 416 S CB 0.305 63.453 63.200 -0.087 0.000 0.774 416 S HN 0.459 8.769 8.310 -0.000 0.000 0.510 417 D N 0.722 120.947 120.400 -0.292 0.000 2.197 417 D HA 0.122 4.763 4.640 0.002 0.000 0.212 417 D C 0.971 176.892 176.300 -0.631 0.000 0.963 417 D CA 0.994 54.648 54.000 -0.576 0.000 0.864 417 D CB -0.148 40.065 40.800 -0.979 0.000 1.009 417 D HN 0.541 8.911 8.370 -0.000 0.000 0.479 418 F N 0.268 120.192 119.950 -0.044 0.000 2.720 418 F HA 0.358 4.886 4.527 0.002 0.000 0.301 418 F C 1.350 177.121 175.800 -0.049 0.000 1.103 418 F CA 0.127 58.093 58.000 -0.055 0.000 1.291 418 F CB 0.357 39.311 39.000 -0.078 0.000 1.086 418 F HN -0.091 8.209 8.300 -0.000 0.000 0.592 419 G N 0.135 108.983 108.800 0.080 0.000 2.733 419 G HA2 0.413 4.374 3.960 0.002 0.000 0.686 419 G HA3 0.413 4.374 3.960 0.002 0.000 0.686 419 G C -0.027 174.900 174.900 0.044 0.000 1.373 419 G CA -0.407 44.710 45.100 0.029 0.000 0.838 419 G HN 1.255 9.545 8.290 -0.000 0.000 0.588 420 G N -0.934 107.851 108.800 -0.025 0.000 2.663 420 G HA2 0.344 4.305 3.960 0.002 0.000 0.686 420 G HA3 0.344 4.305 3.960 0.002 0.000 0.686 420 G C -0.307 174.575 174.900 -0.031 0.000 1.288 420 G CA -0.021 45.077 45.100 -0.005 0.000 0.836 420 G HN 1.714 10.004 8.290 -0.000 0.000 0.584 421 F N 1.245 121.240 119.950 0.075 0.000 2.467 421 F HA 0.462 4.990 4.527 0.002 0.000 0.362 421 F C 1.720 177.570 175.800 0.083 0.000 1.090 421 F CA -0.066 57.974 58.000 0.066 0.000 1.202 421 F CB 0.885 39.919 39.000 0.057 0.000 1.113 421 F HN 0.315 8.615 8.300 -0.000 0.000 0.541 422 R N 2.810 123.452 120.500 0.237 0.000 2.389 422 R HA 0.501 4.842 4.340 0.002 0.000 0.295 422 R C -0.639 175.765 176.300 0.173 0.000 1.075 422 R CA -0.453 55.758 56.100 0.186 0.000 1.005 422 R CB 0.884 31.267 30.300 0.137 0.000 0.987 422 R HN 0.566 8.836 8.270 -0.000 0.000 0.452 423 V N -0.247 119.772 119.914 0.175 0.000 3.102 423 V HA 0.490 4.611 4.120 0.002 0.000 0.312 423 V C -0.307 175.871 176.094 0.141 0.000 1.135 423 V CA -1.391 60.988 62.300 0.132 0.000 1.022 423 V CB 1.961 33.867 31.823 0.137 0.000 1.056 423 V HN 0.839 9.029 8.190 -0.000 0.000 0.436 424 N N 1.832 120.587 118.700 0.092 0.000 2.381 424 N HA 0.492 5.234 4.740 0.002 0.000 0.289 424 N C 1.151 176.762 175.510 0.168 0.000 1.288 424 N CA 0.125 53.234 53.050 0.098 0.000 0.960 424 N CB 0.130 38.639 38.487 0.038 0.000 1.116 424 N HN 1.004 9.384 8.380 -0.000 0.000 0.557 425 A N -0.947 121.971 122.820 0.163 0.000 1.972 425 A HA -0.142 4.179 4.320 0.002 0.000 0.219 425 A C 1.383 179.084 177.584 0.196 0.000 1.169 425 A CA 1.291 53.466 52.037 0.230 0.000 0.635 425 A CB -0.780 18.345 19.000 0.208 0.000 0.810 425 A HN 0.778 8.928 8.150 -0.000 0.000 0.446 426 E N -0.606 119.679 120.200 0.142 0.000 2.437 426 E HA 0.363 4.714 4.350 0.002 0.000 0.189 426 E C -0.257 176.484 176.600 0.236 0.000 1.054 426 E CA -0.152 56.346 56.400 0.162 0.000 0.874 426 E CB -0.053 29.742 29.700 0.158 0.000 1.011 426 E HN 0.514 8.874 8.360 -0.000 0.000 0.474 427 L N 0.197 121.531 121.223 0.186 0.000 4.351 427 L HA -0.279 4.062 4.340 0.002 0.000 0.410 427 L C -0.178 176.756 176.870 0.107 0.000 1.150 427 L CA 0.499 55.443 54.840 0.174 0.000 0.961 427 L CB -1.856 40.295 42.059 0.154 0.000 2.130 427 L HN 0.298 8.528 8.230 -0.000 0.000 0.787 428 Q N -0.473 119.282 119.800 -0.075 0.000 2.261 428 Q HA 0.539 4.880 4.340 0.002 0.000 0.252 428 Q C 0.989 176.868 176.000 -0.202 0.000 0.915 428 Q CA 0.461 56.032 55.803 -0.386 0.000 0.915 428 Q CB 1.687 30.125 28.738 -0.500 0.000 1.204 428 Q HN 0.364 8.634 8.270 -0.000 0.000 0.421 429 A N 3.211 125.894 122.820 -0.228 0.000 2.085 429 A HA 0.167 4.489 4.320 0.002 0.000 0.208 429 A C 0.553 178.059 177.584 -0.129 0.000 1.191 429 A CA 0.624 52.596 52.037 -0.108 0.000 0.799 429 A CB 0.599 19.542 19.000 -0.095 0.000 0.877 429 A HN 0.534 8.684 8.150 -0.000 0.000 0.473 430 R N -1.846 118.513 120.500 -0.235 0.000 2.766 430 R HA 0.248 4.589 4.340 0.002 0.000 0.270 430 R C 1.181 177.279 176.300 -0.337 0.000 1.035 430 R CA 0.387 56.365 56.100 -0.202 0.000 0.911 430 R CB 0.552 30.780 30.300 -0.120 0.000 1.243 430 R HN 0.291 8.561 8.270 -0.000 0.000 0.460 431 S N 0.618 116.177 115.700 -0.234 0.000 2.387 431 S HA -0.204 4.267 4.470 0.002 0.000 0.230 431 S C 0.926 175.297 174.600 -0.382 0.000 1.035 431 S CA 1.923 59.974 58.200 -0.250 0.000 1.014 431 S CB -0.305 62.828 63.200 -0.111 0.000 0.836 431 S HN 0.717 9.027 8.310 -0.000 0.000 0.466 432 N N 0.502 119.030 118.700 -0.287 0.000 2.351 432 N HA 0.314 5.055 4.740 0.002 0.000 0.254 432 N C -0.516 174.936 175.510 -0.097 0.000 1.241 432 N CA -0.441 52.513 53.050 -0.160 0.000 0.883 432 N CB 0.067 38.639 38.487 0.141 0.000 1.202 432 N HN 0.632 9.012 8.380 -0.000 0.000 0.512 433 I N -0.134 120.193 120.570 -0.405 0.000 2.512 433 I HA 0.444 4.615 4.170 0.002 0.000 0.287 433 I C -1.279 174.671 176.117 -0.279 0.000 1.069 433 I CA -0.674 60.529 61.300 -0.162 0.000 1.056 433 I CB 1.503 39.424 38.000 -0.132 0.000 1.229 433 I HN -0.035 8.175 8.210 -0.000 0.000 0.429 434 W N 6.283 127.514 121.300 -0.116 0.000 2.655 434 W HA 0.692 5.353 4.660 0.003 0.000 0.358 434 W C -1.071 175.350 176.519 -0.163 0.000 1.100 434 W CA -0.804 56.475 57.345 -0.110 0.000 1.195 434 W CB 2.092 31.495 29.460 -0.096 0.000 1.403 434 W HN 0.110 8.290 8.180 -0.000 0.000 0.589 435 V N 0.969 120.936 119.914 0.088 0.000 2.709 435 V HA 0.805 4.926 4.120 0.002 0.000 0.308 435 V C -0.289 175.801 176.094 -0.007 0.000 1.062 435 V CA -0.829 61.457 62.300 -0.022 0.000 0.901 435 V CB 1.229 33.027 31.823 -0.042 0.000 1.003 435 V HN 0.647 8.837 8.190 -0.000 0.000 0.425 436 A N 2.352 125.140 122.820 -0.053 0.000 2.566 436 A HA 1.036 5.358 4.320 0.002 0.000 0.292 436 A C 0.220 177.747 177.584 -0.096 0.000 1.112 436 A CA 0.035 51.986 52.037 -0.142 0.000 0.707 436 A CB 1.558 20.425 19.000 -0.222 0.000 1.302 436 A HN 2.403 10.553 8.150 -0.000 0.000 0.409 437 G N 0.442 109.117 108.800 -0.208 0.000 2.553 437 G HA2 -0.154 3.808 3.960 0.002 0.000 0.242 437 G HA3 -0.154 3.808 3.960 0.002 0.000 0.242 437 G C 0.194 175.229 174.900 0.225 0.000 1.277 437 G CA 0.709 45.784 45.100 -0.043 0.000 0.910 437 G HN 0.828 9.118 8.290 -0.000 0.000 0.576 438 D N 0.464 120.974 120.400 0.184 0.000 2.218 438 D HA 0.125 4.767 4.640 0.002 0.000 0.204 438 D C 2.622 179.031 176.300 0.182 0.000 0.976 438 D CA 2.064 56.174 54.000 0.183 0.000 0.853 438 D CB -0.519 40.363 40.800 0.137 0.000 0.939 438 D HN 0.921 9.291 8.370 -0.000 0.000 0.481 439 A N 0.029 122.964 122.820 0.192 0.000 2.167 439 A HA 0.353 4.674 4.320 0.002 0.000 0.214 439 A C 1.220 179.000 177.584 0.326 0.000 1.151 439 A CA 0.581 52.773 52.037 0.258 0.000 0.735 439 A CB -0.090 19.095 19.000 0.307 0.000 0.802 439 A HN 0.180 8.330 8.150 -0.000 0.000 0.467 440 A N -0.976 122.018 122.820 0.290 0.000 2.309 440 A HA 0.458 4.780 4.320 0.002 0.000 0.298 440 A C -0.053 177.733 177.584 0.337 0.000 1.165 440 A CA -0.224 52.005 52.037 0.320 0.000 0.821 440 A CB 0.171 19.337 19.000 0.277 0.000 1.102 440 A HN 0.680 8.830 8.150 -0.000 0.000 0.500 441 C N 5.714 125.184 119.300 0.282 0.000 2.206 441 C HA 0.701 5.162 4.460 0.002 0.000 0.324 441 C C -0.110 175.003 174.990 0.204 0.000 1.120 441 C CA -1.228 57.890 59.018 0.167 0.000 1.546 441 C CB -2.564 25.259 27.740 0.138 0.000 2.023 441 C HN 0.689 8.919 8.230 -0.000 0.000 0.448 442 F N 3.316 123.325 119.950 0.099 0.000 2.403 442 F HA 0.586 5.114 4.527 0.002 0.000 0.326 442 F C -0.690 175.213 175.800 0.172 0.000 1.099 442 F CA -1.723 56.373 58.000 0.161 0.000 1.036 442 F CB 0.208 39.327 39.000 0.198 0.000 1.336 442 F HN 0.466 8.766 8.300 -0.000 0.000 0.497 443 Y N 1.802 122.260 120.300 0.262 0.000 2.504 443 Y HA 0.228 4.780 4.550 0.003 0.000 0.339 443 Y C -0.064 175.974 175.900 0.229 0.000 0.974 443 Y CA -0.988 57.180 58.100 0.114 0.000 1.232 443 Y CB -0.141 38.417 38.460 0.163 0.000 1.108 443 Y HN 0.684 8.964 8.280 -0.000 0.000 0.509 444 D N 5.980 126.152 120.400 -0.379 0.000 2.383 444 D HA -0.069 4.572 4.640 0.002 0.000 0.252 444 D C 1.472 177.656 176.300 -0.193 0.000 1.166 444 D CA 0.259 54.191 54.000 -0.112 0.000 0.879 444 D CB 0.934 41.580 40.800 -0.258 0.000 1.164 444 D HN 0.913 9.283 8.370 -0.000 0.000 0.462 445 I N 3.754 124.355 120.570 0.051 0.000 2.502 445 I HA -0.275 3.896 4.170 0.002 0.000 0.258 445 I C 1.376 177.454 176.117 -0.065 0.000 1.172 445 I CA 1.307 62.619 61.300 0.020 0.000 1.430 445 I CB 0.228 38.200 38.000 -0.047 0.000 1.086 445 I HN 0.254 8.464 8.210 -0.000 0.000 0.440 446 K N -0.094 120.248 120.400 -0.098 0.000 2.367 446 K HA 0.241 4.563 4.320 0.002 0.000 0.198 446 K C 1.649 178.168 176.600 -0.136 0.000 1.132 446 K CA 0.540 56.771 56.287 -0.094 0.000 0.941 446 K CB 0.297 32.760 32.500 -0.062 0.000 1.052 446 K HN 0.333 8.583 8.250 -0.000 0.000 0.507 447 L N 0.199 121.297 121.223 -0.209 0.000 2.640 447 L HA 0.222 4.563 4.340 0.002 0.000 0.230 447 L C 0.946 177.589 176.870 -0.378 0.000 1.123 447 L CA 0.133 54.824 54.840 -0.249 0.000 0.900 447 L CB 0.111 42.026 42.059 -0.239 0.000 1.146 447 L HN 0.255 8.485 8.230 -0.000 0.000 0.484 448 G N 0.859 109.286 108.800 -0.622 0.000 2.584 448 G HA2 -0.250 3.711 3.960 0.002 0.000 0.229 448 G HA3 -0.250 3.711 3.960 0.002 0.000 0.229 448 G C -0.228 174.189 174.900 -0.805 0.000 1.320 448 G CA -0.678 43.896 45.100 -0.877 0.000 0.891 448 G HN 0.199 8.489 8.290 -0.000 0.000 0.573 449 R N 0.491 120.735 120.500 -0.427 0.000 2.494 449 R HA 0.320 4.661 4.340 0.002 0.000 0.291 449 R C 0.823 176.635 176.300 -0.814 0.000 0.953 449 R CA 1.126 57.011 56.100 -0.358 0.000 1.098 449 R CB 0.209 30.512 30.300 0.005 0.000 0.911 449 R HN 0.712 8.982 8.270 -0.000 0.000 0.407 450 R N 1.637 121.647 120.500 -0.816 0.000 2.692 450 R HA 0.371 4.713 4.340 0.002 0.000 0.269 450 R C -1.578 174.259 176.300 -0.772 0.000 1.030 450 R CA -0.847 54.693 56.100 -0.934 0.000 0.882 450 R CB 1.794 31.506 30.300 -0.981 0.000 1.250 450 R HN 0.643 8.913 8.270 -0.000 0.000 0.465 451 R N 2.339 122.567 120.500 -0.454 0.000 2.604 451 R HA 0.548 4.889 4.340 0.002 0.000 0.281 451 R C -1.466 174.741 176.300 -0.156 0.000 1.020 451 R CA -0.627 55.377 56.100 -0.161 0.000 0.899 451 R CB 2.013 32.298 30.300 -0.024 0.000 1.205 451 R HN 0.432 8.702 8.270 -0.000 0.000 0.450 452 V N -0.272 119.564 119.914 -0.130 0.000 3.141 452 V HA 0.635 4.756 4.120 0.002 0.000 0.312 452 V C -0.770 175.225 176.094 -0.165 0.000 1.157 452 V CA -0.772 61.344 62.300 -0.306 0.000 1.041 452 V CB 2.251 33.655 31.823 -0.699 0.000 1.071 452 V HN 0.929 9.119 8.190 -0.000 0.000 0.441 453 E N 0.531 120.640 120.200 -0.152 0.000 3.568 453 E HA 0.429 4.781 4.350 0.002 0.000 0.213 453 E C -1.192 175.618 176.600 0.350 0.000 1.197 453 E CA -0.176 56.285 56.400 0.103 0.000 1.126 453 E CB 0.405 30.167 29.700 0.103 0.000 1.285 453 E HN 0.875 9.235 8.360 -0.000 0.000 0.418 454 H N -0.007 119.220 119.070 0.263 0.000 2.538 454 H HA 0.174 4.731 4.556 0.002 0.000 0.353 454 H C 0.778 176.303 175.328 0.327 0.000 1.109 454 H CA -0.841 55.413 56.048 0.343 0.000 1.192 454 H CB 1.953 31.938 29.762 0.371 0.000 1.555 454 H HN 0.329 8.609 8.280 -0.000 0.000 0.518 455 H N 2.632 121.902 119.070 0.333 0.000 2.321 455 H HA -0.174 4.383 4.556 0.002 0.000 0.300 455 H C 1.281 176.795 175.328 0.310 0.000 1.087 455 H CA 2.292 58.510 56.048 0.282 0.000 1.319 455 H CB 0.269 30.201 29.762 0.282 0.000 1.379 455 H HN 0.807 9.087 8.280 -0.000 0.000 0.501 456 D N -0.332 120.355 120.400 0.478 0.000 2.116 456 D HA -0.218 4.423 4.640 0.002 0.000 0.193 456 D C 2.384 178.853 176.300 0.280 0.000 0.998 456 D CA 1.660 55.888 54.000 0.380 0.000 0.836 456 D CB -0.629 40.447 40.800 0.460 0.000 0.951 456 D HN 0.538 8.908 8.370 -0.000 0.000 0.449 457 H N -0.335 118.909 119.070 0.289 0.000 2.321 457 H HA -0.100 4.457 4.556 0.002 0.000 0.300 457 H C 1.868 177.205 175.328 0.014 0.000 1.087 457 H CA 1.672 57.834 56.048 0.190 0.000 1.319 457 H CB -0.112 29.752 29.762 0.169 0.000 1.379 457 H HN 0.228 8.508 8.280 -0.000 0.000 0.501 458 A N 0.654 123.403 122.820 -0.118 0.000 1.908 458 A HA -0.116 4.205 4.320 0.002 0.000 0.218 458 A C 2.827 180.243 177.584 -0.281 0.000 1.181 458 A CA 1.681 53.570 52.037 -0.246 0.000 0.627 458 A CB -0.895 18.038 19.000 -0.112 0.000 0.818 458 A HN 0.322 8.472 8.150 -0.000 0.000 0.445 459 V N -0.538 119.229 119.914 -0.244 0.000 2.270 459 V HA -0.202 3.919 4.120 0.002 0.000 0.245 459 V C 2.589 178.567 176.094 -0.194 0.000 1.043 459 V CA 1.975 64.146 62.300 -0.215 0.000 1.014 459 V CB -0.685 31.046 31.823 -0.153 0.000 0.645 459 V HN 0.375 8.565 8.190 -0.000 0.000 0.447 460 V N 0.946 120.755 119.914 -0.174 0.000 2.358 460 V HA -0.205 3.917 4.120 0.002 0.000 0.246 460 V C 2.704 178.709 176.094 -0.148 0.000 1.047 460 V CA 2.223 64.420 62.300 -0.171 0.000 1.035 460 V CB -0.846 30.799 31.823 -0.298 0.000 0.658 460 V HN 0.747 8.937 8.190 -0.000 0.000 0.452 461 S N 0.947 116.456 115.700 -0.318 0.000 2.402 461 S HA -0.061 4.410 4.470 0.002 0.000 0.229 461 S C 2.076 176.445 174.600 -0.385 0.000 1.021 461 S CA 1.307 59.170 58.200 -0.562 0.000 0.974 461 S CB -0.741 61.806 63.200 -1.089 0.000 0.800 461 S HN 0.525 8.835 8.310 -0.000 0.000 0.484 462 G N 1.714 110.310 108.800 -0.340 0.000 2.402 462 G HA2 -0.140 3.821 3.960 0.002 0.000 0.216 462 G HA3 -0.140 3.821 3.960 0.002 0.000 0.216 462 G C 1.575 176.317 174.900 -0.262 0.000 1.162 462 G CA 0.573 45.506 45.100 -0.279 0.000 0.777 462 G HN 0.540 8.830 8.290 -0.000 0.000 0.539 463 R N -0.488 119.871 120.500 -0.235 0.000 2.073 463 R HA -0.017 4.324 4.340 0.002 0.000 0.234 463 R C 2.471 178.646 176.300 -0.208 0.000 1.134 463 R CA 1.361 57.332 56.100 -0.215 0.000 0.952 463 R CB -0.413 29.784 30.300 -0.172 0.000 0.850 463 R HN 0.334 8.604 8.270 -0.000 0.000 0.433 464 L N 0.772 121.892 121.223 -0.172 0.000 2.012 464 L HA -0.104 4.238 4.340 0.002 0.000 0.210 464 L C 2.277 179.022 176.870 -0.208 0.000 1.073 464 L CA 2.256 57.014 54.840 -0.137 0.000 0.748 464 L CB -0.849 41.187 42.059 -0.038 0.000 0.891 464 L HN 0.261 8.491 8.230 -0.000 0.000 0.431 465 A N -0.423 122.245 122.820 -0.252 0.000 1.892 465 A HA -0.166 4.156 4.320 0.002 0.000 0.218 465 A C 2.371 179.643 177.584 -0.520 0.000 1.188 465 A CA 1.911 53.722 52.037 -0.376 0.000 0.631 465 A CB -1.726 17.105 19.000 -0.283 0.000 0.822 465 A HN 0.568 8.718 8.150 -0.000 0.000 0.447 466 G N -0.550 108.010 108.800 -0.399 0.000 2.446 466 G HA2 -0.244 3.718 3.960 0.002 0.000 0.217 466 G HA3 -0.244 3.718 3.960 0.002 0.000 0.217 466 G C 1.425 176.091 174.900 -0.391 0.000 1.168 466 G CA 1.073 45.923 45.100 -0.417 0.000 0.771 466 G HN 0.684 8.974 8.290 -0.000 0.000 0.551 467 E N 0.545 120.564 120.200 -0.302 0.000 2.106 467 E HA -0.099 4.252 4.350 0.002 0.000 0.192 467 E C 2.356 178.820 176.600 -0.226 0.000 0.984 467 E CA 0.842 57.104 56.400 -0.230 0.000 0.806 467 E CB -0.065 29.535 29.700 -0.166 0.000 0.750 467 E HN 0.265 8.625 8.360 -0.000 0.000 0.458 468 N N 0.382 118.915 118.700 -0.278 0.000 2.331 468 N HA -0.047 4.694 4.740 0.002 0.000 0.180 468 N C 1.533 176.816 175.510 -0.379 0.000 1.019 468 N CA 0.872 53.792 53.050 -0.216 0.000 0.881 468 N CB 0.007 38.445 38.487 -0.083 0.000 0.972 468 N HN 0.194 8.574 8.380 -0.000 0.000 0.435 469 M N -0.799 118.370 119.600 -0.719 0.000 2.557 469 M HA -0.017 4.464 4.480 0.002 0.000 0.259 469 M C 1.020 177.221 176.300 -0.165 0.000 1.086 469 M CA 0.807 55.670 55.300 -0.728 0.000 1.096 469 M CB 0.194 32.361 32.600 -0.722 0.000 1.424 469 M HN -0.093 8.197 8.290 -0.000 0.000 0.488 470 T N -0.216 114.239 114.554 -0.165 0.000 3.313 470 T HA 0.389 4.740 4.350 0.002 0.000 0.263 470 T C 0.654 175.335 174.700 -0.032 0.000 0.983 470 T CA 0.272 62.340 62.100 -0.054 0.000 0.963 470 T CB -0.585 68.204 68.868 -0.132 0.000 1.141 470 T HN 0.599 8.839 8.240 -0.000 0.000 0.526 471 G N 0.850 109.650 108.800 -0.000 0.000 2.350 471 G HA2 -0.137 3.824 3.960 0.002 0.000 0.298 471 G HA3 -0.137 3.824 3.960 0.002 0.000 0.298 471 G C 0.732 175.631 174.900 -0.002 0.000 1.037 471 G CA 0.094 45.208 45.100 0.023 0.000 1.074 471 G HN 0.937 9.227 8.290 -0.000 0.000 0.511 472 A N 0.268 123.077 122.820 -0.019 0.000 1.942 472 A HA 0.807 5.128 4.320 0.002 0.000 0.209 472 A C 2.218 179.793 177.584 -0.014 0.000 1.214 472 A CA 1.753 53.770 52.037 -0.033 0.000 0.686 472 A CB -0.257 18.702 19.000 -0.068 0.000 0.871 472 A HN 2.598 10.748 8.150 -0.000 0.000 0.460 473 A N -0.364 122.467 122.820 0.019 0.000 2.610 473 A HA -0.167 4.154 4.320 0.002 0.000 0.299 473 A C 0.041 177.609 177.584 -0.026 0.000 1.487 473 A CA 1.351 53.407 52.037 0.031 0.000 0.743 473 A CB -2.250 16.769 19.000 0.032 0.000 1.070 473 A HN 0.514 8.664 8.150 -0.000 0.000 0.439 474 K N 0.676 121.046 120.400 -0.050 0.000 2.270 474 K HA 0.616 4.937 4.320 0.002 0.000 0.255 474 K C -2.638 173.867 176.600 -0.159 0.000 0.936 474 K CA -2.016 54.189 56.287 -0.138 0.000 0.809 474 K CB 2.437 34.858 32.500 -0.133 0.000 1.131 474 K HN 0.347 8.597 8.250 -0.000 0.000 0.427 475 P HA -0.011 4.409 4.420 -0.000 0.000 0.277 475 P C -1.186 175.952 177.300 -0.270 0.000 1.240 475 P CA -0.345 62.540 63.100 -0.358 0.000 0.798 475 P CB 0.517 31.781 31.700 -0.726 0.000 0.979 476 Y N 2.198 122.449 120.300 -0.082 0.000 2.600 476 Y HA 0.202 4.753 4.550 0.002 0.000 0.351 476 Y C -0.083 176.010 175.900 0.321 0.000 1.042 476 Y CA -0.140 58.003 58.100 0.072 0.000 1.333 476 Y CB -0.150 38.371 38.460 0.102 0.000 1.172 476 Y HN 0.371 8.651 8.280 -0.000 0.000 0.517 477 W N 3.738 124.947 121.300 -0.151 0.000 3.005 477 W HA 0.123 4.783 4.660 0.001 0.000 0.374 477 W C 0.726 177.113 176.519 -0.219 0.000 1.076 477 W CA -0.528 56.745 57.345 -0.119 0.000 1.794 477 W CB -0.783 28.671 29.460 -0.011 0.000 1.113 477 W HN 0.514 8.694 8.180 -0.000 0.000 0.584 478 H N 1.702 120.533 119.070 -0.399 0.000 2.815 478 H HA 0.083 4.641 4.556 0.002 0.000 0.350 478 H C -0.293 174.915 175.328 -0.201 0.000 1.080 478 H CA 0.857 56.722 56.048 -0.305 0.000 1.433 478 H CB 0.877 30.424 29.762 -0.358 0.000 1.432 478 H HN -0.040 8.240 8.280 -0.000 0.000 0.592 479 Q N 3.449 122.882 119.800 -0.611 0.000 2.421 479 Q HA 0.103 4.444 4.340 0.002 0.000 0.242 479 Q C -0.258 175.479 176.000 -0.438 0.000 1.024 479 Q CA -0.440 55.161 55.803 -0.337 0.000 0.891 479 Q CB 1.178 29.803 28.738 -0.189 0.000 1.222 479 Q HN 0.475 8.745 8.270 -0.000 0.000 0.483 480 S N 3.736 119.437 115.700 0.002 0.000 2.533 480 S HA 0.274 4.745 4.470 0.002 0.000 0.282 480 S C 0.036 174.830 174.600 0.322 0.000 1.304 480 S CA -0.419 57.984 58.200 0.340 0.000 1.063 480 S CB 0.205 63.754 63.200 0.581 0.000 0.881 480 S HN 0.582 8.892 8.310 -0.000 0.000 0.493 481 M N 4.560 124.339 119.600 0.298 0.000 2.528 481 M HA 0.779 5.260 4.480 0.002 0.000 0.318 481 M C -0.983 175.347 176.300 0.049 0.000 1.195 481 M CA -0.826 54.572 55.300 0.163 0.000 1.000 481 M CB 1.309 34.011 32.600 0.170 0.000 1.615 481 M HN 0.581 8.871 8.290 -0.000 0.000 0.469 482 F N 2.507 122.301 119.950 -0.260 0.000 2.577 482 F HA 0.881 5.409 4.527 0.002 0.000 0.318 482 F C -2.035 173.743 175.800 -0.036 0.000 1.065 482 F CA -0.483 57.284 58.000 -0.388 0.000 0.929 482 F CB 1.745 40.274 39.000 -0.786 0.000 1.237 482 F HN 0.849 9.149 8.300 -0.000 0.000 0.468 483 W N 3.295 123.848 121.300 -1.245 0.000 3.107 483 W HA 0.690 5.351 4.660 0.002 0.000 0.331 483 W C -2.073 173.806 176.519 -1.067 0.000 1.204 483 W CA -1.475 55.373 57.345 -0.827 0.000 1.184 483 W CB 0.956 30.232 29.460 -0.308 0.000 1.421 483 W HN 0.765 8.945 8.180 -0.000 0.000 0.544 484 S N 1.333 116.850 115.700 -0.305 0.000 2.572 484 S HA 0.403 4.875 4.470 0.002 0.000 0.274 484 S C -1.937 172.862 174.600 0.332 0.000 1.150 484 S CA -0.359 57.768 58.200 -0.121 0.000 0.944 484 S CB 1.443 64.613 63.200 -0.051 0.000 1.071 484 S HN 0.359 8.669 8.310 -0.000 0.000 0.479 485 D N 3.406 124.012 120.400 0.344 0.000 2.344 485 D HA 0.358 5.000 4.640 0.002 0.000 0.239 485 D C -0.315 176.188 176.300 0.337 0.000 1.064 485 D CA -0.238 53.998 54.000 0.394 0.000 0.829 485 D CB 1.550 42.667 40.800 0.527 0.000 1.129 485 D HN 0.515 8.885 8.370 -0.000 0.000 0.506 486 L N 2.638 124.044 121.223 0.306 0.000 2.783 486 L HA 0.482 4.823 4.340 0.002 0.000 0.235 486 L C 0.975 177.937 176.870 0.154 0.000 1.260 486 L CA -0.378 54.627 54.840 0.275 0.000 1.184 486 L CB -0.336 41.920 42.059 0.328 0.000 1.472 486 L HN 0.592 8.822 8.230 -0.000 0.000 0.426 487 G N 1.744 110.567 108.800 0.038 0.000 2.631 487 G HA2 -0.166 3.795 3.960 0.002 0.000 0.504 487 G HA3 -0.166 3.795 3.960 0.002 0.000 0.504 487 G C -2.419 171.895 174.900 -0.976 0.000 1.306 487 G CA -0.461 44.396 45.100 -0.405 0.000 0.897 487 G HN 0.251 8.541 8.290 -0.000 0.000 0.520 488 P HA 0.109 4.529 4.420 -0.000 0.000 0.233 488 P C 0.396 177.336 177.300 -0.600 0.000 1.167 488 P CA 1.422 63.673 63.100 -1.415 0.000 0.770 488 P CB 0.194 31.232 31.700 -1.102 0.000 0.837 489 D N -0.666 119.535 120.400 -0.333 0.000 2.389 489 D HA 0.111 4.752 4.640 0.002 0.000 0.206 489 D C 0.370 176.658 176.300 -0.019 0.000 1.055 489 D CA 0.390 54.312 54.000 -0.131 0.000 0.856 489 D CB 1.104 41.876 40.800 -0.047 0.000 0.957 489 D HN 0.066 8.436 8.370 -0.000 0.000 0.509 490 V N 0.285 120.206 119.914 0.011 0.000 2.668 490 V HA 0.715 4.837 4.120 0.002 0.000 0.304 490 V C 0.173 176.322 176.094 0.091 0.000 1.071 490 V CA -0.891 61.471 62.300 0.104 0.000 0.894 490 V CB 2.141 34.135 31.823 0.284 0.000 1.008 490 V HN 0.089 8.279 8.190 -0.000 0.000 0.425 491 G N 2.725 111.553 108.800 0.046 0.000 2.672 491 G HA2 0.798 4.759 3.960 0.002 0.000 0.292 491 G HA3 0.798 4.759 3.960 0.002 0.000 0.292 491 G C -2.189 172.622 174.900 -0.147 0.000 1.375 491 G CA -0.561 44.622 45.100 0.139 0.000 0.890 491 G HN 0.445 8.735 8.290 -0.000 0.000 0.476 492 Y N -0.692 119.775 120.300 0.278 0.000 2.553 492 Y HA 0.664 5.215 4.550 0.002 0.000 0.347 492 Y C 0.108 176.052 175.900 0.073 0.000 1.019 492 Y CA -0.878 57.339 58.100 0.195 0.000 1.032 492 Y CB 2.705 41.358 38.460 0.321 0.000 1.284 492 Y HN 0.456 8.736 8.280 -0.000 0.000 0.466 493 E N 0.851 121.166 120.200 0.193 0.000 2.340 493 E HA 0.849 5.200 4.350 0.002 0.000 0.273 493 E C -1.485 175.186 176.600 0.120 0.000 0.891 493 E CA -1.145 55.322 56.400 0.110 0.000 0.757 493 E CB 2.720 32.447 29.700 0.045 0.000 1.231 493 E HN 0.688 9.048 8.360 -0.000 0.000 0.439 494 A N 2.497 125.390 122.820 0.122 0.000 2.539 494 A HA 0.883 5.204 4.320 0.002 0.000 0.296 494 A C -1.506 176.114 177.584 0.060 0.000 1.073 494 A CA -0.568 51.522 52.037 0.089 0.000 0.700 494 A CB 1.355 20.416 19.000 0.102 0.000 1.296 494 A HN 0.590 8.740 8.150 -0.000 0.000 0.405 495 I N 0.298 120.886 120.570 0.030 0.000 2.787 495 I HA 0.607 4.778 4.170 0.002 0.000 0.294 495 I C 0.298 176.427 176.117 0.020 0.000 1.365 495 I CA 0.977 62.307 61.300 0.050 0.000 1.029 495 I CB 1.985 40.020 38.000 0.060 0.000 1.313 495 I HN 2.216 10.426 8.210 -0.000 0.000 0.431 496 G N 4.866 113.689 108.800 0.038 0.000 2.593 496 G HA2 -0.217 3.744 3.960 0.002 0.000 0.237 496 G HA3 -0.217 3.744 3.960 0.002 0.000 0.237 496 G C -1.142 173.725 174.900 -0.054 0.000 1.312 496 G CA -0.128 44.973 45.100 0.002 0.000 0.896 496 G HN 1.087 9.377 8.290 -0.000 0.000 0.574 497 L N 0.926 122.104 121.223 -0.075 0.000 2.342 497 L HA 0.580 4.921 4.340 0.002 0.000 0.285 497 L C 0.730 177.450 176.870 -0.250 0.000 1.095 497 L CA -0.180 54.590 54.840 -0.115 0.000 0.843 497 L CB 0.683 42.704 42.059 -0.063 0.000 1.201 497 L HN 1.384 9.614 8.230 -0.000 0.000 0.445 498 V N 2.027 121.728 119.914 -0.357 0.000 2.304 498 V HA 0.643 4.764 4.120 0.002 0.000 0.278 498 V C -0.812 175.059 176.094 -0.371 0.000 1.018 498 V CA -0.573 61.271 62.300 -0.760 0.000 0.814 498 V CB 1.123 32.542 31.823 -0.674 0.000 1.021 498 V HN 0.736 8.926 8.190 -0.000 0.000 0.440 499 D N 3.576 123.876 120.400 -0.166 0.000 2.788 499 D HA 0.314 4.956 4.640 0.002 0.000 0.247 499 D C 1.091 177.538 176.300 0.246 0.000 1.236 499 D CA 0.282 54.311 54.000 0.049 0.000 0.898 499 D CB 2.760 43.582 40.800 0.038 0.000 1.401 499 D HN 0.603 8.973 8.370 -0.000 0.000 0.549 500 S N 1.658 117.468 115.700 0.184 0.000 2.469 500 S HA -0.168 4.303 4.470 0.002 0.000 0.238 500 S C 1.632 176.289 174.600 0.095 0.000 0.998 500 S CA 1.267 59.564 58.200 0.162 0.000 0.957 500 S CB -0.289 62.956 63.200 0.075 0.000 0.764 500 S HN 0.391 8.701 8.310 -0.000 0.000 0.514 501 S N 0.846 116.595 115.700 0.081 0.000 2.522 501 S HA 0.264 4.735 4.470 0.002 0.000 0.227 501 S C 0.610 175.247 174.600 0.062 0.000 0.986 501 S CA -0.404 57.828 58.200 0.054 0.000 0.929 501 S CB -0.656 62.568 63.200 0.040 0.000 0.769 501 S HN 0.520 8.830 8.310 -0.000 0.000 0.529 502 L N 2.549 123.832 121.223 0.100 0.000 2.421 502 L HA 0.435 4.776 4.340 0.002 0.000 0.263 502 L C -2.115 174.786 176.870 0.050 0.000 1.122 502 L CA -2.552 52.346 54.840 0.096 0.000 0.804 502 L CB 0.302 42.463 42.059 0.170 0.000 1.150 502 L HN 0.051 8.281 8.230 -0.000 0.000 0.457 503 P HA 0.093 4.513 4.420 -0.000 0.000 0.271 503 P C -0.777 176.492 177.300 -0.051 0.000 1.220 503 P CA -0.117 62.979 63.100 -0.005 0.000 0.768 503 P CB 0.811 32.515 31.700 0.007 0.000 0.848 504 T N -0.537 113.952 114.554 -0.109 0.000 2.916 504 T HA 0.626 4.978 4.350 0.002 0.000 0.292 504 T C -0.663 173.970 174.700 -0.110 0.000 1.064 504 T CA -0.846 61.127 62.100 -0.211 0.000 1.011 504 T CB 1.393 70.001 68.868 -0.433 0.000 1.152 504 T HN 0.132 8.372 8.240 -0.000 0.000 0.510 505 V N 0.904 120.768 119.914 -0.084 0.000 2.488 505 V HA 0.720 4.842 4.120 0.002 0.000 0.293 505 V C 0.397 176.458 176.094 -0.056 0.000 1.027 505 V CA -0.587 61.703 62.300 -0.015 0.000 0.862 505 V CB 1.507 33.364 31.823 0.056 0.000 1.008 505 V HN 1.326 9.516 8.190 -0.000 0.000 0.428 506 G N 3.353 112.061 108.800 -0.154 0.000 2.379 506 G HA2 0.659 4.621 3.960 0.002 0.000 0.327 506 G HA3 0.659 4.621 3.960 0.002 0.000 0.327 506 G C -1.155 173.380 174.900 -0.607 0.000 1.145 506 G CA -0.534 44.304 45.100 -0.438 0.000 0.905 506 G HN 0.551 8.841 8.290 -0.000 0.000 0.466 507 V N 2.178 121.579 119.914 -0.855 0.000 2.444 507 V HA 0.583 4.704 4.120 0.002 0.000 0.294 507 V C -0.921 174.632 176.094 -0.902 0.000 1.022 507 V CA -0.639 61.286 62.300 -0.625 0.000 0.850 507 V CB 0.755 32.430 31.823 -0.247 0.000 0.992 507 V HN 0.591 8.781 8.190 -0.000 0.000 0.426 508 F N 2.180 121.896 119.950 -0.391 0.000 2.598 508 F HA 0.968 5.496 4.527 0.002 0.000 0.327 508 F C 0.412 175.931 175.800 -0.468 0.000 1.057 508 F CA -0.647 57.039 58.000 -0.523 0.000 0.957 508 F CB 2.143 40.581 39.000 -0.936 0.000 1.278 508 F HN 0.644 8.944 8.300 -0.000 0.000 0.484 509 A N -0.116 122.720 122.820 0.025 0.000 2.599 509 A HA 0.766 5.087 4.320 0.002 0.000 0.290 509 A C -0.983 176.737 177.584 0.227 0.000 1.101 509 A CA -0.679 51.471 52.037 0.189 0.000 0.674 509 A CB 0.596 19.639 19.000 0.073 0.000 1.277 509 A HN 0.918 9.068 8.150 -0.000 0.000 0.419 510 K N 0.109 120.626 120.400 0.195 0.000 2.382 510 K HA 0.663 4.985 4.320 0.002 0.000 0.275 510 K C 0.390 176.992 176.600 0.002 0.000 1.009 510 K CA 0.276 56.620 56.287 0.094 0.000 0.970 510 K CB 0.158 32.699 32.500 0.067 0.000 0.934 510 K HN 2.302 10.552 8.250 -0.000 0.000 0.479 511 A N 1.705 124.488 122.820 -0.062 0.000 2.302 511 A HA 0.649 4.970 4.320 0.002 0.000 0.285 511 A C 0.813 178.367 177.584 -0.050 0.000 1.105 511 A CA 0.265 52.239 52.037 -0.105 0.000 0.816 511 A CB 0.170 19.054 19.000 -0.194 0.000 1.067 511 A HN 1.270 9.420 8.150 -0.000 0.000 0.489 512 T N -1.774 112.755 114.554 -0.041 0.000 2.897 512 T HA 0.551 4.902 4.350 0.002 0.000 0.278 512 T C 1.231 175.918 174.700 -0.021 0.000 0.981 512 T CA 0.012 62.100 62.100 -0.020 0.000 0.973 512 T CB 1.195 70.057 68.868 -0.009 0.000 1.092 512 T HN 1.292 9.532 8.240 -0.000 0.000 0.543 513 A N 0.329 123.140 122.820 -0.014 0.000 2.076 513 A HA -0.102 4.219 4.320 0.002 0.000 0.220 513 A C 2.232 179.803 177.584 -0.020 0.000 1.160 513 A CA 1.772 53.800 52.037 -0.017 0.000 0.653 513 A CB -1.021 17.971 19.000 -0.012 0.000 0.801 513 A HN 0.964 9.114 8.150 -0.000 0.000 0.455 514 Q N -0.864 118.928 119.800 -0.012 0.000 2.319 514 Q HA 0.070 4.411 4.340 0.002 0.000 0.202 514 Q C -0.792 175.219 176.000 0.019 0.000 0.896 514 Q CA 0.132 55.928 55.803 -0.011 0.000 0.942 514 Q CB 0.077 28.814 28.738 -0.001 0.000 1.083 514 Q HN 0.381 8.651 8.270 -0.000 0.000 0.510 515 D N 2.774 123.192 120.400 0.029 0.000 2.713 515 D HA 0.122 4.763 4.640 0.002 0.000 0.229 515 D C -0.864 175.518 176.300 0.136 0.000 1.136 515 D CA 0.156 54.217 54.000 0.102 0.000 1.010 515 D CB -0.144 40.645 40.800 -0.019 0.000 1.084 515 D HN 0.516 8.886 8.370 -0.000 0.000 0.495 516 N N -2.228 116.540 118.700 0.114 0.000 2.598 516 N HA 0.260 5.001 4.740 0.002 0.000 0.263 516 N C -2.771 172.505 175.510 -0.390 0.000 1.254 516 N CA -1.294 51.757 53.050 0.001 0.000 0.863 516 N CB 1.543 39.983 38.487 -0.079 0.000 1.586 516 N HN -0.353 8.027 8.380 -0.000 0.000 0.491 517 P HA -0.241 4.179 4.420 -0.000 0.000 0.216 517 P C 0.955 178.074 177.300 -0.302 0.000 1.150 517 P CA 1.536 64.350 63.100 -0.477 0.000 0.843 517 P CB 0.264 31.867 31.700 -0.162 0.000 0.787 518 K N -0.456 119.765 120.400 -0.298 0.000 2.002 518 K HA -0.109 4.212 4.320 0.002 0.000 0.209 518 K C 2.139 178.676 176.600 -0.104 0.000 1.048 518 K CA 1.860 58.067 56.287 -0.134 0.000 0.930 518 K CB -0.460 31.938 32.500 -0.171 0.000 0.714 518 K HN -0.025 8.225 8.250 -0.000 0.000 0.438 519 S N 0.533 116.139 115.700 -0.157 0.000 2.368 519 S HA -0.142 4.329 4.470 0.002 0.000 0.225 519 S C 2.009 176.512 174.600 -0.162 0.000 1.030 519 S CA 1.183 59.308 58.200 -0.126 0.000 0.999 519 S CB -0.295 62.842 63.200 -0.106 0.000 0.844 519 S HN 0.531 8.841 8.310 -0.000 0.000 0.459 520 A N 1.055 123.689 122.820 -0.310 0.000 1.940 520 A HA -0.126 4.195 4.320 0.002 0.000 0.219 520 A C 2.297 179.754 177.584 -0.211 0.000 1.176 520 A CA 2.070 53.899 52.037 -0.346 0.000 0.631 520 A CB -1.162 17.355 19.000 -0.805 0.000 0.814 520 A HN 0.482 8.632 8.150 -0.000 0.000 0.446 521 T N -0.224 114.235 114.554 -0.158 0.000 2.857 521 T HA -0.066 4.286 4.350 0.002 0.000 0.266 521 T C 1.708 176.375 174.700 -0.055 0.000 1.048 521 T CA 1.398 63.451 62.100 -0.080 0.000 1.139 521 T CB -0.177 68.704 68.868 0.022 0.000 0.874 521 T HN 0.663 8.903 8.240 -0.000 0.000 0.455 522 E N 1.152 121.325 120.200 -0.044 0.000 2.110 522 E HA -0.143 4.208 4.350 0.002 0.000 0.193 522 E C 2.439 179.015 176.600 -0.041 0.000 0.988 522 E CA 0.908 57.289 56.400 -0.032 0.000 0.804 522 E CB -0.084 29.600 29.700 -0.026 0.000 0.745 522 E HN 0.547 8.907 8.360 -0.000 0.000 0.458 523 Q N 0.304 120.071 119.800 -0.054 0.000 2.016 523 Q HA -0.128 4.213 4.340 0.002 0.000 0.200 523 Q C 2.497 178.470 176.000 -0.045 0.000 0.978 523 Q CA 1.875 57.651 55.803 -0.046 0.000 0.833 523 Q CB -0.049 28.660 28.738 -0.049 0.000 0.895 523 Q HN 0.235 8.505 8.270 -0.000 0.000 0.427 524 S N -1.378 114.286 115.700 -0.060 0.000 2.414 524 S HA 0.065 4.536 4.470 0.002 0.000 0.227 524 S C 1.557 176.124 174.600 -0.056 0.000 1.022 524 S CA 0.786 58.951 58.200 -0.058 0.000 0.958 524 S CB 0.264 63.417 63.200 -0.079 0.000 0.797 524 S HN 0.575 8.885 8.310 -0.000 0.000 0.493 525 G N 0.004 108.768 108.800 -0.061 0.000 2.157 525 G HA2 -0.176 3.786 3.960 0.002 0.000 0.248 525 G HA3 -0.176 3.786 3.960 0.002 0.000 0.248 525 G C 0.126 174.982 174.900 -0.073 0.000 0.979 525 G CA 0.380 45.445 45.100 -0.058 0.000 0.650 525 G HN 1.059 9.349 8.290 -0.000 0.000 0.529 526 T N -1.945 112.553 114.554 -0.092 0.000 2.900 526 T HA 0.622 4.973 4.350 0.002 0.000 0.303 526 T C 1.136 175.738 174.700 -0.164 0.000 1.142 526 T CA 0.670 62.702 62.100 -0.114 0.000 1.007 526 T CB 1.349 70.156 68.868 -0.103 0.000 1.156 526 T HN 1.013 9.253 8.240 -0.000 0.000 0.490 527 G N 2.053 110.744 108.800 -0.183 0.000 2.986 527 G HA2 0.218 4.179 3.960 0.002 0.000 0.213 527 G HA3 0.218 4.179 3.960 0.002 0.000 0.213 527 G C 0.415 175.045 174.900 -0.449 0.000 1.156 527 G CA -0.089 44.853 45.100 -0.262 0.000 0.763 527 G HN 0.621 8.911 8.290 -0.000 0.000 0.547 528 I N 1.876 122.211 120.570 -0.391 0.000 2.278 528 I HA 0.285 4.457 4.170 0.002 0.000 0.296 528 I C 1.457 177.116 176.117 -0.763 0.000 1.121 528 I CA -0.503 60.467 61.300 -0.551 0.000 1.267 528 I CB 0.978 38.887 38.000 -0.152 0.000 1.447 528 I HN -0.013 8.197 8.210 -0.000 0.000 0.509 529 R N 3.932 123.500 120.500 -1.553 0.000 2.117 529 R HA -0.190 4.151 4.340 0.002 0.000 0.243 529 R C 2.275 178.255 176.300 -0.533 0.000 1.143 529 R CA 2.071 57.543 56.100 -1.047 0.000 0.968 529 R CB -0.271 29.264 30.300 -1.276 0.000 0.863 529 R HN 0.715 8.985 8.270 -0.000 0.000 0.444 530 S N -0.580 114.869 115.700 -0.418 0.000 2.469 530 S HA -0.110 4.361 4.470 0.002 0.000 0.238 530 S C 1.567 176.178 174.600 0.020 0.000 0.998 530 S CA 1.140 59.342 58.200 0.003 0.000 0.957 530 S CB -0.141 63.228 63.200 0.282 0.000 0.764 530 S HN 0.439 8.749 8.310 -0.000 0.000 0.514 531 E N 1.568 121.737 120.200 -0.051 0.000 2.042 531 E HA -0.050 4.302 4.350 0.002 0.000 0.189 531 E C 2.412 178.991 176.600 -0.035 0.000 0.974 531 E CA 1.146 57.538 56.400 -0.013 0.000 0.806 531 E CB -0.118 29.572 29.700 -0.017 0.000 0.769 531 E HN 0.762 9.122 8.360 -0.000 0.000 0.451 532 S N 0.804 116.451 115.700 -0.088 0.000 2.428 532 S HA -0.098 4.373 4.470 0.002 0.000 0.230 532 S C 1.880 176.464 174.600 -0.026 0.000 1.014 532 S CA 0.786 58.948 58.200 -0.064 0.000 0.957 532 S CB 0.045 63.185 63.200 -0.099 0.000 0.784 532 S HN 0.012 8.322 8.310 -0.000 0.000 0.499 533 E N 1.416 121.602 120.200 -0.024 0.000 2.208 533 E HA 0.137 4.488 4.350 0.002 0.000 0.193 533 E C 0.132 176.757 176.600 0.042 0.000 0.988 533 E CA 0.594 57.008 56.400 0.022 0.000 0.828 533 E CB -0.417 29.299 29.700 0.026 0.000 0.763 533 E HN 0.550 8.910 8.360 -0.000 0.000 0.478 534 T N -0.271 114.308 114.554 0.043 0.000 0.541 534 T HA -0.144 4.207 4.350 0.002 0.000 0.774 534 T C 0.172 174.934 174.700 0.104 0.000 0.992 534 T CA 0.659 62.794 62.100 0.060 0.000 4.077 534 T CB -0.541 68.356 68.868 0.048 0.000 2.303 534 T HN 0.328 8.568 8.240 -0.000 0.000 0.398 535 E N -0.016 120.258 120.200 0.122 0.000 2.479 535 E HA 0.170 4.522 4.350 0.002 0.000 0.193 535 E C 1.119 177.842 176.600 0.205 0.000 1.049 535 E CA 0.370 56.902 56.400 0.219 0.000 0.870 535 E CB 0.268 30.061 29.700 0.156 0.000 0.944 535 E HN 0.671 9.031 8.360 -0.000 0.000 0.492 536 S N 0.858 116.631 115.700 0.122 0.000 2.645 536 S HA 0.240 4.711 4.470 0.002 0.000 0.266 536 S C 0.023 174.667 174.600 0.074 0.000 1.258 536 S CA -0.834 57.423 58.200 0.095 0.000 0.990 536 S CB 1.248 64.487 63.200 0.065 0.000 0.967 536 S HN -0.007 8.303 8.310 -0.000 0.000 0.556 537 E N 0.185 120.420 120.200 0.059 0.000 2.195 537 E HA 0.598 4.949 4.350 0.002 0.000 0.271 537 E C -0.292 176.326 176.600 0.031 0.000 0.923 537 E CA -1.112 55.314 56.400 0.042 0.000 0.790 537 E CB 1.763 31.485 29.700 0.037 0.000 1.155 537 E HN 0.828 9.188 8.360 -0.000 0.000 0.402 538 A N 2.192 125.024 122.820 0.019 0.000 2.448 538 A HA 0.202 4.523 4.320 0.002 0.000 0.239 538 A C 0.251 177.839 177.584 0.006 0.000 1.080 538 A CA -0.091 51.948 52.037 0.004 0.000 0.779 538 A CB 0.375 19.364 19.000 -0.019 0.000 1.026 538 A HN 0.548 8.698 8.150 -0.000 0.000 0.499 561 G N 0.596 109.335 108.800 -0.101 0.000 3.581 561 G HA2 0.394 4.355 3.960 0.002 0.000 0.248 561 G HA3 0.394 4.355 3.960 0.002 0.000 0.248 561 G C -0.387 173.645 174.900 -1.447 0.000 1.037 561 G CA -0.135 44.595 45.100 -0.617 0.000 0.902 561 G HN 0.530 8.820 8.290 -0.000 0.000 0.512 562 K N -1.376 118.396 120.400 -1.047 0.000 2.615 562 K HA 0.772 5.093 4.320 0.002 0.000 0.291 562 K C -0.583 176.000 176.600 -0.029 0.000 1.017 562 K CA -0.481 55.294 56.287 -0.855 0.000 0.882 562 K CB 1.550 33.751 32.500 -0.499 0.000 1.522 562 K HN 0.653 8.903 8.250 -0.000 0.000 0.412 563 G N -0.234 108.615 108.800 0.081 0.000 2.316 563 G HA2 0.380 4.341 3.960 0.002 0.000 0.296 563 G HA3 0.380 4.341 3.960 0.002 0.000 0.296 563 G C -2.148 172.649 174.900 -0.170 0.000 1.399 563 G CA -0.248 44.874 45.100 0.038 0.000 0.833 563 G HN 0.733 9.023 8.290 -0.000 0.000 0.565 564 V N 0.197 119.816 119.914 -0.491 0.000 2.680 564 V HA 0.839 4.960 4.120 0.002 0.000 0.309 564 V C -0.737 174.884 176.094 -0.788 0.000 1.052 564 V CA -1.018 60.865 62.300 -0.697 0.000 0.908 564 V CB 1.476 32.675 31.823 -1.040 0.000 1.001 564 V HN 0.698 8.888 8.190 -0.000 0.000 0.431 565 I N 6.730 126.914 120.570 -0.644 0.000 2.410 565 I HA 0.436 4.607 4.170 0.002 0.000 0.286 565 I C -1.208 174.629 176.117 -0.466 0.000 1.009 565 I CA -0.284 60.725 61.300 -0.484 0.000 1.111 565 I CB 1.635 39.534 38.000 -0.169 0.000 1.262 565 I HN 0.467 8.677 8.210 -0.000 0.000 0.443 566 F N 5.507 125.347 119.950 -0.184 0.000 2.410 566 F HA 0.412 4.940 4.527 0.002 0.000 0.349 566 F C -0.288 175.422 175.800 -0.150 0.000 1.117 566 F CA -0.517 57.440 58.000 -0.071 0.000 1.104 566 F CB 0.650 39.603 39.000 -0.078 0.000 1.122 566 F HN 0.244 8.544 8.300 -0.000 0.000 0.483 567 Y N 3.925 124.314 120.300 0.148 0.000 2.335 567 Y HA 0.585 5.136 4.550 0.002 0.000 0.339 567 Y C -0.137 175.820 175.900 0.094 0.000 0.987 567 Y CA -0.805 57.349 58.100 0.089 0.000 1.140 567 Y CB 0.872 39.363 38.460 0.052 0.000 1.173 567 Y HN 0.357 8.637 8.280 -0.000 0.000 0.486 568 L N 3.308 124.622 121.223 0.152 0.000 2.322 568 L HA 0.744 5.085 4.340 0.002 0.000 0.269 568 L C -0.296 176.622 176.870 0.079 0.000 1.012 568 L CA -1.264 53.638 54.840 0.104 0.000 0.815 568 L CB 1.708 43.801 42.059 0.057 0.000 1.295 568 L HN 0.362 8.592 8.230 -0.000 0.000 0.438 569 R N 1.229 121.764 120.500 0.057 0.000 2.545 569 R HA 0.308 4.649 4.340 0.002 0.000 0.289 569 R C -0.758 175.555 176.300 0.022 0.000 1.327 569 R CA -0.063 56.059 56.100 0.038 0.000 1.040 569 R CB 0.026 30.346 30.300 0.034 0.000 1.176 569 R HN 0.771 9.041 8.270 -0.000 0.000 0.518 570 D N 1.668 122.077 120.400 0.015 0.000 4.486 570 D HA -0.273 4.368 4.640 0.002 0.000 0.134 570 D C -0.102 176.198 176.300 0.001 0.000 0.739 570 D CA 1.361 55.363 54.000 0.004 0.000 1.119 570 D CB -0.286 40.513 40.800 -0.003 0.000 0.594 570 D HN 0.504 8.874 8.370 -0.000 0.000 0.569 571 K N 0.467 120.861 120.400 -0.009 0.000 2.438 571 K HA 0.356 4.677 4.320 0.002 0.000 0.205 571 K C -0.366 176.228 176.600 -0.010 0.000 1.033 571 K CA -0.017 56.262 56.287 -0.014 0.000 1.089 571 K CB 1.725 34.205 32.500 -0.033 0.000 0.857 571 K HN 0.009 8.259 8.250 -0.000 0.000 0.522 572 V N 1.994 121.911 119.914 0.004 0.000 2.427 572 V HA 0.182 4.303 4.120 0.002 0.000 0.286 572 V C 0.210 176.349 176.094 0.074 0.000 1.034 572 V CA -0.961 61.352 62.300 0.022 0.000 0.893 572 V CB 1.879 33.702 31.823 0.000 0.000 0.982 572 V HN -0.136 8.054 8.190 -0.000 0.000 0.452 573 V N 6.083 126.072 119.914 0.125 0.000 2.439 573 V HA 0.077 4.199 4.120 0.002 0.000 0.271 573 V C 0.962 177.143 176.094 0.146 0.000 1.040 573 V CA 0.343 62.744 62.300 0.168 0.000 1.002 573 V CB 1.201 33.157 31.823 0.223 0.000 1.000 573 V HN 0.846 9.036 8.190 -0.000 0.000 0.477 574 V N 2.035 122.034 119.914 0.142 0.000 3.643 574 V HA 0.684 4.806 4.120 0.002 0.000 0.280 574 V C 0.730 176.877 176.094 0.089 0.000 1.351 574 V CA 0.675 63.031 62.300 0.094 0.000 1.073 574 V CB 0.061 31.923 31.823 0.066 0.000 0.863 574 V HN 0.850 9.040 8.190 -0.000 0.000 0.436 575 G N -0.235 108.657 108.800 0.153 0.000 2.703 575 G HA2 0.706 4.667 3.960 0.002 0.000 0.294 575 G HA3 0.706 4.667 3.960 0.002 0.000 0.294 575 G C -1.764 173.257 174.900 0.202 0.000 1.451 575 G CA -0.629 44.519 45.100 0.080 0.000 0.869 575 G HN 0.143 8.433 8.290 -0.000 0.000 0.516 576 I N 0.389 121.010 120.570 0.084 0.000 2.722 576 I HA 0.500 4.671 4.170 0.002 0.000 0.295 576 I C -0.794 175.328 176.117 0.008 0.000 1.161 576 I CA -1.133 60.206 61.300 0.065 0.000 1.032 576 I CB 2.690 40.674 38.000 -0.026 0.000 1.244 576 I HN 0.270 8.480 8.210 -0.000 0.000 0.421 577 V N 6.455 126.389 119.914 0.033 0.000 2.540 577 V HA 0.515 4.636 4.120 0.002 0.000 0.302 577 V C -0.466 175.595 176.094 -0.055 0.000 1.035 577 V CA -0.524 61.818 62.300 0.069 0.000 0.873 577 V CB 2.245 34.206 31.823 0.231 0.000 0.992 577 V HN 0.428 8.618 8.190 -0.000 0.000 0.428 578 L N 3.853 125.063 121.223 -0.022 0.000 2.333 578 L HA 0.511 4.852 4.340 0.002 0.000 0.280 578 L C -1.308 175.600 176.870 0.063 0.000 1.004 578 L CA -0.335 54.440 54.840 -0.109 0.000 0.820 578 L CB 1.943 43.882 42.059 -0.200 0.000 1.247 578 L HN 0.724 8.954 8.230 -0.000 0.000 0.416 579 W N 5.614 126.815 121.300 -0.164 0.000 2.296 579 W HA 0.359 5.020 4.660 0.002 0.000 0.316 579 W C 0.385 176.717 176.519 -0.313 0.000 1.022 579 W CA -0.793 56.442 57.345 -0.183 0.000 1.324 579 W CB 0.481 29.908 29.460 -0.055 0.000 1.227 579 W HN 0.591 8.771 8.180 -0.000 0.000 0.409 580 N N 4.121 122.512 118.700 -0.515 0.000 2.747 580 N HA -0.251 4.490 4.740 0.002 0.000 0.249 580 N C -0.917 174.200 175.510 -0.656 0.000 1.107 580 N CA 1.416 54.095 53.050 -0.619 0.000 0.707 580 N CB -1.575 36.525 38.487 -0.645 0.000 1.054 580 N HN 0.568 8.948 8.380 -0.000 0.000 0.555 581 I N 0.684 120.754 120.570 -0.834 0.000 2.410 581 I HA 0.385 4.557 4.170 0.002 0.000 0.286 581 I C -0.181 175.531 176.117 -0.674 0.000 1.009 581 I CA -0.584 60.419 61.300 -0.495 0.000 1.111 581 I CB 0.703 38.566 38.000 -0.228 0.000 1.262 581 I HN -0.183 8.027 8.210 -0.000 0.000 0.443 582 F N 3.965 123.915 119.950 0.001 0.000 2.556 582 F HA 0.471 4.999 4.527 0.002 0.000 0.327 582 F C 0.986 176.794 175.800 0.014 0.000 1.059 582 F CA -0.865 57.137 58.000 0.002 0.000 0.953 582 F CB 0.868 39.852 39.000 -0.026 0.000 1.227 582 F HN 0.449 8.749 8.300 -0.000 0.000 0.478 583 N N 0.552 119.368 118.700 0.194 0.000 2.776 583 N HA -0.179 4.562 4.740 0.002 0.000 0.250 583 N C 0.302 175.860 175.510 0.079 0.000 1.112 583 N CA 0.357 53.472 53.050 0.107 0.000 0.733 583 N CB -0.606 37.932 38.487 0.086 0.000 1.097 583 N HN 0.494 8.874 8.380 -0.000 0.000 0.558 584 R N -0.570 119.991 120.500 0.101 0.000 2.549 584 R HA 0.265 4.606 4.340 0.002 0.000 0.344 584 R C 1.717 178.112 176.300 0.158 0.000 0.979 584 R CA -0.384 55.778 56.100 0.103 0.000 1.140 584 R CB -0.194 30.220 30.300 0.190 0.000 1.377 584 R HN 0.182 8.452 8.270 -0.000 0.000 0.541 585 M N 2.656 122.335 119.600 0.132 0.000 2.149 585 M HA -0.013 4.468 4.480 0.002 0.000 0.261 585 M C -1.049 175.318 176.300 0.112 0.000 1.064 585 M CA 1.708 57.089 55.300 0.135 0.000 1.102 585 M CB -0.881 31.781 32.600 0.104 0.000 1.369 585 M HN -0.131 8.159 8.290 -0.000 0.000 0.408 586 P HA -0.151 4.269 4.420 -0.000 0.000 0.218 586 P C 1.702 179.023 177.300 0.035 0.000 1.148 586 P CA 1.643 64.773 63.100 0.051 0.000 0.822 586 P CB -0.317 31.403 31.700 0.034 0.000 0.784 587 I N -0.100 120.472 120.570 0.003 0.000 2.252 587 I HA -0.188 3.983 4.170 0.002 0.000 0.245 587 I C 2.621 178.777 176.117 0.065 0.000 1.102 587 I CA 1.318 62.573 61.300 -0.075 0.000 1.385 587 I CB -0.809 36.977 38.000 -0.356 0.000 1.064 587 I HN -0.090 8.120 8.210 -0.000 0.000 0.414 588 A N 0.974 123.939 122.820 0.242 0.000 1.902 588 A HA -0.198 4.124 4.320 0.002 0.000 0.217 588 A C 2.401 180.097 177.584 0.188 0.000 1.181 588 A CA 1.436 53.684 52.037 0.351 0.000 0.623 588 A CB -0.552 18.636 19.000 0.313 0.000 0.818 588 A HN 0.294 8.444 8.150 -0.000 0.000 0.443 589 R N -0.677 119.894 120.500 0.119 0.000 2.081 589 R HA -0.162 4.179 4.340 0.002 0.000 0.235 589 R C 2.321 178.658 176.300 0.062 0.000 1.131 589 R CA 1.711 57.852 56.100 0.067 0.000 0.960 589 R CB -0.235 30.086 30.300 0.034 0.000 0.856 589 R HN 0.458 8.728 8.270 -0.000 0.000 0.436 590 K N 1.357 121.793 120.400 0.061 0.000 2.026 590 K HA -0.093 4.228 4.320 0.002 0.000 0.208 590 K C 1.785 178.429 176.600 0.074 0.000 1.048 590 K CA 1.422 57.738 56.287 0.049 0.000 0.929 590 K CB -0.311 32.206 32.500 0.029 0.000 0.713 590 K HN 0.099 8.349 8.250 -0.000 0.000 0.439 591 I N 0.324 120.961 120.570 0.111 0.000 2.163 591 I HA -0.285 3.886 4.170 0.002 0.000 0.243 591 I C 2.183 178.395 176.117 0.157 0.000 1.085 591 I CA 1.402 62.797 61.300 0.157 0.000 1.347 591 I CB -0.231 37.894 38.000 0.208 0.000 1.044 591 I HN 0.151 8.361 8.210 -0.000 0.000 0.408 592 I N 0.415 121.066 120.570 0.136 0.000 2.252 592 I HA -0.278 3.893 4.170 0.002 0.000 0.245 592 I C 2.632 178.782 176.117 0.055 0.000 1.102 592 I CA 1.215 62.577 61.300 0.103 0.000 1.385 592 I CB -0.394 37.660 38.000 0.090 0.000 1.064 592 I HN 0.203 8.413 8.210 -0.000 0.000 0.414 593 K N 1.100 121.522 120.400 0.037 0.000 2.026 593 K HA -0.233 4.088 4.320 0.002 0.000 0.208 593 K C 1.677 178.276 176.600 -0.002 0.000 1.048 593 K CA 1.969 58.257 56.287 0.002 0.000 0.929 593 K CB -0.057 32.441 32.500 -0.004 0.000 0.713 593 K HN 0.179 8.429 8.250 -0.000 0.000 0.439 594 D N -0.219 120.192 120.400 0.018 0.000 2.149 594 D HA -0.101 4.541 4.640 0.002 0.000 0.198 594 D C 1.064 177.359 176.300 -0.009 0.000 0.990 594 D CA 1.534 55.537 54.000 0.005 0.000 0.839 594 D CB -0.411 40.404 40.800 0.024 0.000 0.948 594 D HN 0.571 8.941 8.370 -0.000 0.000 0.460 595 G N 1.118 109.924 108.800 0.010 0.000 2.283 595 G HA2 -0.285 3.676 3.960 0.002 0.000 0.280 595 G HA3 -0.285 3.676 3.960 0.002 0.000 0.280 595 G C 0.086 174.949 174.900 -0.063 0.000 1.029 595 G CA 0.331 45.425 45.100 -0.010 0.000 0.840 595 G HN 0.214 8.504 8.290 -0.000 0.000 0.505 596 E N -0.195 119.933 120.200 -0.120 0.000 2.345 596 E HA 0.315 4.666 4.350 0.002 0.000 0.259 596 E C 0.762 177.121 176.600 -0.402 0.000 1.117 596 E CA -0.354 55.903 56.400 -0.238 0.000 0.913 596 E CB 0.600 30.136 29.700 -0.273 0.000 1.057 596 E HN 0.591 8.951 8.360 -0.000 0.000 0.432 597 Q N 0.873 120.468 119.800 -0.341 0.000 2.293 597 Q HA 0.193 4.535 4.340 0.002 0.000 0.251 597 Q C -0.513 175.212 176.000 -0.460 0.000 0.930 597 Q CA -0.135 55.489 55.803 -0.298 0.000 0.893 597 Q CB 0.826 29.474 28.738 -0.149 0.000 1.215 597 Q HN 0.312 8.582 8.270 -0.000 0.000 0.425 598 H N 1.974 120.996 119.070 -0.081 0.000 2.587 598 H HA 0.053 4.611 4.556 0.002 0.000 0.325 598 H C 0.379 175.649 175.328 -0.096 0.000 1.012 598 H CA -0.176 55.810 56.048 -0.103 0.000 1.213 598 H CB 1.196 30.857 29.762 -0.168 0.000 1.431 598 H HN 0.812 9.092 8.280 -0.000 0.000 0.492 599 E N 1.322 121.536 120.200 0.024 0.000 2.150 599 E HA -0.157 4.194 4.350 0.002 0.000 0.193 599 E C 0.312 176.906 176.600 -0.011 0.000 0.985 599 E CA 1.035 57.433 56.400 -0.003 0.000 0.814 599 E CB 0.786 30.481 29.700 -0.008 0.000 0.752 599 E HN 0.466 8.826 8.360 -0.000 0.000 0.466 600 D N -0.289 120.102 120.400 -0.014 0.000 2.949 600 D HA 0.149 4.790 4.640 0.002 0.000 0.247 600 D C 1.589 177.832 176.300 -0.096 0.000 1.552 600 D CA 0.817 54.792 54.000 -0.042 0.000 1.231 600 D CB 0.639 41.419 40.800 -0.033 0.000 0.990 600 D HN 0.218 8.588 8.370 -0.000 0.000 0.270 601 L N -0.528 120.604 121.223 -0.152 0.000 1.988 601 L HA -0.209 4.132 4.340 0.002 0.000 0.490 601 L C 1.322 178.121 176.870 -0.117 0.000 0.728 601 L CA 0.635 55.298 54.840 -0.295 0.000 3.008 601 L CB -1.269 40.565 42.059 -0.375 0.000 0.828 601 L HN 0.117 8.347 8.230 -0.000 0.000 0.711 602 N N 0.646 119.315 118.700 -0.052 0.000 2.309 602 N HA -0.111 4.630 4.740 0.002 0.000 0.182 602 N C 1.330 176.840 175.510 0.000 0.000 1.018 602 N CA 1.336 54.383 53.050 -0.006 0.000 0.876 602 N CB 0.099 38.580 38.487 -0.010 0.000 0.972 602 N HN 0.488 8.868 8.380 -0.000 0.000 0.434 603 E N 0.634 120.819 120.200 -0.025 0.000 2.076 603 E HA -0.021 4.330 4.350 0.002 0.000 0.190 603 E C 2.200 178.788 176.600 -0.020 0.000 0.979 603 E CA 0.379 56.768 56.400 -0.018 0.000 0.807 603 E CB -0.236 29.449 29.700 -0.024 0.000 0.761 603 E HN 0.089 8.449 8.360 -0.000 0.000 0.454 604 V N 1.914 121.787 119.914 -0.069 0.000 2.407 604 V HA -0.235 3.887 4.120 0.002 0.000 0.248 604 V C 2.451 178.643 176.094 0.164 0.000 1.055 604 V CA 1.739 63.995 62.300 -0.073 0.000 1.049 604 V CB -0.887 30.719 31.823 -0.362 0.000 0.662 604 V HN 0.225 8.415 8.190 -0.000 0.000 0.455 605 A N -0.319 122.643 122.820 0.236 0.000 2.024 605 A HA -0.241 4.080 4.320 0.002 0.000 0.220 605 A C 2.235 179.956 177.584 0.228 0.000 1.164 605 A CA 1.760 54.002 52.037 0.341 0.000 0.643 605 A CB -0.465 18.649 19.000 0.189 0.000 0.806 605 A HN 0.577 8.727 8.150 -0.000 0.000 0.451 606 K N -0.333 120.130 120.400 0.105 0.000 2.211 606 K HA -0.040 4.282 4.320 0.002 0.000 0.204 606 K C 1.530 178.135 176.600 0.009 0.000 1.047 606 K CA 1.091 57.406 56.287 0.047 0.000 0.935 606 K CB -0.359 32.150 32.500 0.014 0.000 0.728 606 K HN 0.503 8.753 8.250 -0.000 0.000 0.452 607 L N 0.026 121.228 121.223 -0.036 0.000 2.265 607 L HA -0.092 4.250 4.340 0.002 0.000 0.215 607 L C 0.727 177.369 176.870 -0.380 0.000 1.117 607 L CA 0.710 55.406 54.840 -0.239 0.000 0.782 607 L CB -0.164 41.668 42.059 -0.379 0.000 0.914 607 L HN 0.016 8.246 8.230 -0.000 0.000 0.441 608 F N 0.000 119.945 119.950 -0.009 0.000 2.286 608 F HA 0.000 4.528 4.527 0.002 0.000 0.279 608 F CA 0.000 57.980 58.000 -0.033 0.000 1.383 608 F CB 0.000 38.964 39.000 -0.061 0.000 1.145 608 F HN 0.000 8.300 8.300 -0.000 0.000 0.574