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 2nru_1_B DATA FIRST_RESID 163 DATA SEQUENCE TRFHSFSFYE LKNVTNNFDE RPISVGGNKM GEGGFGVVYK GYVNNTTVAV DATA SEQUENCE KKLAAMVDIT TEELKQQFDQ EIKVMAKCQH ENLVELLGFS SDGDDLCLVY DATA SEQUENCE VYMPNGSLLD RLSCLDGTPP LSWHMRCKIA QGAANGINFL HENHHIHRDI DATA SEQUENCE KSANILLDEA FTAKISDFGL ARASEKFAQT VMXXRIVGTT AYMAPEALRG DATA SEQUENCE EITPKSDIYS FGVVLLEIIT GLPAVDEHRE PQLLLDIKEE IEDEEKTIED DATA SEQUENCE YIDKKMNDAD STSVEAMYSV ASQCLHEKKN KRPDIKKVQQ LLQEMT 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 163 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 163 T C 0.000 174.693 174.700 -0.011 0.000 1.109 163 T CA 0.000 62.185 62.100 0.141 0.000 1.349 163 T CB 0.000 68.909 68.868 0.069 0.000 0.612 164 R N 1.026 121.344 120.500 -0.302 0.000 2.388 164 R HA 0.591 4.932 4.340 0.003 0.000 0.247 164 R C -0.266 175.837 176.300 -0.329 0.000 0.931 164 R CA -0.386 55.528 56.100 -0.309 0.000 1.082 164 R CB -0.781 29.308 30.300 -0.352 0.000 1.135 164 R HN 0.339 8.609 8.270 -0.000 0.000 0.525 165 F N -0.232 119.802 119.950 0.139 0.000 2.380 165 F HA 0.287 4.816 4.527 0.003 0.000 0.321 165 F C 0.825 176.631 175.800 0.009 0.000 1.103 165 F CA -1.437 56.638 58.000 0.125 0.000 1.067 165 F CB 0.543 39.689 39.000 0.244 0.000 1.265 165 F HN 0.016 8.316 8.300 -0.000 0.000 0.517 166 H N 0.214 119.295 119.070 0.019 0.000 2.683 166 H HA 0.191 4.748 4.556 0.002 0.000 0.339 166 H C -0.479 174.506 175.328 -0.571 0.000 1.081 166 H CA -0.262 55.605 56.048 -0.301 0.000 1.432 166 H CB 1.104 30.589 29.762 -0.462 0.000 1.462 166 H HN 0.422 8.702 8.280 -0.000 0.000 0.557 167 S N 5.545 120.618 115.700 -1.045 0.000 2.404 167 S HA 0.278 4.749 4.470 0.003 0.000 0.309 167 S C -0.898 173.160 174.600 -0.903 0.000 1.076 167 S CA -0.588 57.046 58.200 -0.944 0.000 1.095 167 S CB -0.750 62.160 63.200 -0.483 0.000 0.972 167 S HN 0.442 8.752 8.310 -0.000 0.000 0.484 168 F N 3.102 122.728 119.950 -0.539 0.000 2.375 168 F HA 0.351 4.880 4.527 0.003 0.000 0.333 168 F C 1.216 176.975 175.800 -0.069 0.000 1.104 168 F CA -0.482 57.364 58.000 -0.257 0.000 1.149 168 F CB 1.248 40.203 39.000 -0.076 0.000 1.190 168 F HN 0.540 8.840 8.300 -0.000 0.000 0.533 169 S N 3.236 119.049 115.700 0.189 0.000 2.523 169 S HA 0.103 4.575 4.470 0.003 0.000 0.275 169 S C 0.957 175.720 174.600 0.272 0.000 1.281 169 S CA -0.693 57.637 58.200 0.216 0.000 1.050 169 S CB 0.164 63.477 63.200 0.188 0.000 0.937 169 S HN 0.714 9.024 8.310 -0.000 0.000 0.492 170 F N 2.902 122.946 119.950 0.156 0.000 2.141 170 F HA -0.250 4.279 4.527 0.003 0.000 0.300 170 F C 1.514 177.332 175.800 0.030 0.000 1.079 170 F CA 1.691 59.752 58.000 0.102 0.000 1.264 170 F CB -0.342 38.690 39.000 0.052 0.000 1.011 170 F HN 0.766 9.066 8.300 -0.000 0.000 0.487 171 Y N 0.276 120.577 120.300 0.002 0.000 2.314 171 Y HA -0.156 4.395 4.550 0.002 0.000 0.293 171 Y C 2.542 178.372 175.900 -0.117 0.000 1.129 171 Y CA 1.712 59.749 58.100 -0.106 0.000 1.201 171 Y CB -0.531 37.938 38.460 0.016 0.000 0.999 171 Y HN 0.154 8.434 8.280 -0.000 0.000 0.541 172 E N 0.263 120.521 120.200 0.096 0.000 2.051 172 E HA -0.213 4.138 4.350 0.003 0.000 0.192 172 E C 1.753 178.328 176.600 -0.043 0.000 0.991 172 E CA 1.746 58.192 56.400 0.076 0.000 0.799 172 E CB -0.149 29.670 29.700 0.199 0.000 0.748 172 E HN 0.478 8.838 8.360 -0.000 0.000 0.449 173 L N -0.686 120.476 121.223 -0.102 0.000 2.492 173 L HA 0.098 4.439 4.340 0.003 0.000 0.223 173 L C 1.911 178.446 176.870 -0.559 0.000 1.132 173 L CA 0.775 55.478 54.840 -0.228 0.000 0.850 173 L CB -0.254 41.734 42.059 -0.118 0.000 0.966 173 L HN -0.198 8.032 8.230 -0.000 0.000 0.454 174 K N 1.774 121.794 120.400 -0.634 0.000 2.057 174 K HA -0.162 4.160 4.320 0.003 0.000 0.207 174 K C 1.800 178.064 176.600 -0.560 0.000 1.049 174 K CA 1.964 57.775 56.287 -0.793 0.000 0.931 174 K CB -0.299 31.771 32.500 -0.717 0.000 0.714 174 K HN 0.800 9.050 8.250 -0.000 0.000 0.440 175 N N -0.402 118.099 118.700 -0.332 0.000 2.395 175 N HA -0.110 4.631 4.740 0.003 0.000 0.175 175 N C 1.629 177.020 175.510 -0.198 0.000 1.029 175 N CA 0.824 53.746 53.050 -0.214 0.000 0.897 175 N CB -0.223 38.204 38.487 -0.100 0.000 0.991 175 N HN -0.044 8.336 8.380 -0.000 0.000 0.441 176 V N -1.372 118.420 119.914 -0.203 0.000 3.078 176 V HA -0.041 4.080 4.120 0.003 0.000 0.265 176 V C 1.586 177.563 176.094 -0.195 0.000 1.122 176 V CA 1.679 63.894 62.300 -0.141 0.000 1.141 176 V CB -1.317 30.447 31.823 -0.098 0.000 0.735 176 V HN 0.623 8.813 8.190 -0.000 0.000 0.498 177 T N -3.733 110.583 114.554 -0.396 0.000 3.129 177 T HA 0.235 4.586 4.350 0.003 0.000 0.267 177 T C 0.806 175.273 174.700 -0.388 0.000 1.018 177 T CA 0.294 62.112 62.100 -0.470 0.000 0.903 177 T CB -0.853 67.412 68.868 -1.004 0.000 1.067 177 T HN 0.573 8.813 8.240 -0.000 0.000 0.549 178 N N 2.579 121.110 118.700 -0.283 0.000 2.747 178 N HA -0.213 4.529 4.740 0.003 0.000 0.249 178 N C -0.763 174.618 175.510 -0.215 0.000 1.107 178 N CA 0.634 53.572 53.050 -0.186 0.000 0.707 178 N CB -0.948 37.479 38.487 -0.100 0.000 1.054 178 N HN 0.587 8.967 8.380 -0.000 0.000 0.555 179 N N -1.209 117.286 118.700 -0.341 0.000 2.815 179 N HA -0.208 4.534 4.740 0.003 0.000 0.249 179 N C -0.717 174.659 175.510 -0.223 0.000 1.114 179 N CA 1.352 54.231 53.050 -0.285 0.000 0.717 179 N CB -1.763 36.655 38.487 -0.116 0.000 1.074 179 N HN 0.544 8.924 8.380 -0.000 0.000 0.555 180 F N -0.966 118.746 119.950 -0.396 0.000 2.797 180 F HA -0.226 4.303 4.527 0.003 0.000 0.273 180 F C 0.599 176.230 175.800 -0.280 0.000 1.020 180 F CA 0.621 58.181 58.000 -0.733 0.000 0.961 180 F CB -1.077 37.405 39.000 -0.863 0.000 1.020 180 F HN 0.094 8.394 8.300 -0.000 0.000 0.840 181 D N 1.948 122.351 120.400 0.005 0.000 2.344 181 D HA 0.072 4.714 4.640 0.003 0.000 0.253 181 D C 1.271 177.730 176.300 0.266 0.000 1.255 181 D CA 0.034 54.106 54.000 0.120 0.000 0.894 181 D CB 0.767 41.598 40.800 0.052 0.000 1.067 181 D HN 0.311 8.681 8.370 -0.000 0.000 0.492 182 E N 3.100 123.453 120.200 0.254 0.000 2.409 182 E HA -0.093 4.258 4.350 0.003 0.000 0.198 182 E C 0.435 177.113 176.600 0.128 0.000 1.024 182 E CA 0.383 56.919 56.400 0.227 0.000 0.861 182 E CB 0.010 29.809 29.700 0.164 0.000 0.788 182 E HN 0.495 8.855 8.360 -0.000 0.000 0.521 183 R N 1.799 122.363 120.500 0.106 0.000 2.590 183 R HA 0.095 4.437 4.340 0.003 0.000 0.274 183 R C -2.237 174.103 176.300 0.067 0.000 1.061 183 R CA -1.445 54.697 56.100 0.071 0.000 1.081 183 R CB -0.194 30.140 30.300 0.056 0.000 0.984 183 R HN -0.085 8.185 8.270 -0.000 0.000 0.448 184 P HA -0.041 4.379 4.420 -0.000 0.000 0.269 184 P C 0.975 178.303 177.300 0.046 0.000 1.209 184 P CA -0.164 62.960 63.100 0.040 0.000 0.776 184 P CB 0.448 32.166 31.700 0.029 0.000 0.876 185 I N 0.724 121.324 120.570 0.049 0.000 2.236 185 I HA -0.292 3.880 4.170 0.003 0.000 0.249 185 I C 2.107 178.251 176.117 0.045 0.000 1.102 185 I CA 2.228 63.560 61.300 0.054 0.000 1.365 185 I CB -1.801 36.235 38.000 0.061 0.000 1.051 185 I HN 0.427 8.637 8.210 -0.000 0.000 0.420 186 S N 1.654 117.378 115.700 0.040 0.000 2.426 186 S HA -0.148 4.324 4.470 0.003 0.000 0.220 186 S C 1.300 175.918 174.600 0.029 0.000 1.040 186 S CA 0.983 59.203 58.200 0.034 0.000 1.094 186 S CB -1.185 62.033 63.200 0.030 0.000 1.072 186 S HN 0.211 8.521 8.310 -0.000 0.000 0.415 187 V N 1.941 121.871 119.914 0.028 0.000 2.135 187 V HA 0.618 4.739 4.120 0.003 0.000 0.287 187 V C 1.268 177.378 176.094 0.026 0.000 1.607 187 V CA 0.271 62.586 62.300 0.024 0.000 1.585 187 V CB -1.060 30.776 31.823 0.021 0.000 1.470 187 V HN 0.998 9.188 8.190 -0.000 0.000 0.513 188 G N 1.873 110.689 108.800 0.027 0.000 2.981 188 G HA2 -0.106 3.855 3.960 0.003 0.000 0.199 188 G HA3 -0.106 3.855 3.960 0.003 0.000 0.199 188 G C 0.591 175.509 174.900 0.031 0.000 1.586 188 G CA 0.145 45.260 45.100 0.025 0.000 1.162 188 G HN 0.885 9.175 8.290 -0.000 0.000 0.538 189 G N -0.479 108.349 108.800 0.045 0.000 3.022 189 G HA2 0.507 4.468 3.960 0.003 0.000 0.157 189 G HA3 0.507 4.468 3.960 0.003 0.000 0.157 189 G C 0.557 175.508 174.900 0.084 0.000 1.468 189 G CA 0.792 45.929 45.100 0.061 0.000 1.058 189 G HN 0.437 8.727 8.290 -0.000 0.000 0.581 190 N N -0.981 117.800 118.700 0.134 0.000 2.239 190 N HA 0.047 4.789 4.740 0.003 0.000 0.208 190 N C 0.349 175.999 175.510 0.232 0.000 1.200 190 N CA -0.166 52.995 53.050 0.186 0.000 0.895 190 N CB 1.128 39.729 38.487 0.191 0.000 1.085 190 N HN 0.272 8.652 8.380 -0.000 0.000 0.500 191 K N 1.650 122.158 120.400 0.180 0.000 2.416 191 K HA 0.140 4.462 4.320 0.003 0.000 0.283 191 K C 0.951 177.524 176.600 -0.045 0.000 1.037 191 K CA 0.096 56.353 56.287 -0.050 0.000 0.995 191 K CB 0.800 33.246 32.500 -0.090 0.000 0.938 191 K HN -0.039 8.211 8.250 -0.000 0.000 0.475 192 M N 2.062 121.607 119.600 -0.092 0.000 2.738 192 M HA 0.194 4.676 4.480 0.003 0.000 0.256 192 M C 0.921 177.191 176.300 -0.050 0.000 1.253 192 M CA 0.469 55.753 55.300 -0.026 0.000 1.223 192 M CB 0.784 33.396 32.600 0.020 0.000 1.263 192 M HN 0.755 9.045 8.290 -0.000 0.000 0.521 193 G N 0.129 108.871 108.800 -0.098 0.000 2.690 193 G HA2 0.566 4.528 3.960 0.003 0.000 0.293 193 G HA3 0.566 4.528 3.960 0.003 0.000 0.293 193 G C -1.840 172.982 174.900 -0.130 0.000 1.399 193 G CA -0.307 44.739 45.100 -0.090 0.000 0.890 193 G HN 0.124 8.414 8.290 -0.000 0.000 0.485 194 E N -0.586 119.553 120.200 -0.101 0.000 2.366 194 E HA 0.594 4.945 4.350 0.003 0.000 0.278 194 E C 0.120 176.672 176.600 -0.081 0.000 0.923 194 E CA 0.139 56.479 56.400 -0.100 0.000 0.761 194 E CB 2.216 31.862 29.700 -0.090 0.000 1.231 194 E HN 1.393 9.753 8.360 -0.000 0.000 0.443 195 G N 1.987 110.735 108.800 -0.086 0.000 1.930 195 G HA2 0.164 4.125 3.960 0.003 0.000 0.054 195 G HA3 0.164 4.125 3.960 0.003 0.000 0.054 195 G C 0.712 175.520 174.900 -0.154 0.000 0.902 195 G CA 0.356 45.391 45.100 -0.108 0.000 1.168 195 G HN 1.229 9.519 8.290 -0.000 0.000 0.383 196 G N 0.258 108.933 108.800 -0.209 0.000 2.685 196 G HA2 -0.141 3.821 3.960 0.003 0.000 0.357 196 G HA3 -0.141 3.821 3.960 0.003 0.000 0.357 196 G C 0.605 175.168 174.900 -0.561 0.000 1.272 196 G CA 1.783 46.697 45.100 -0.310 0.000 0.972 196 G HN 1.398 9.688 8.290 -0.000 0.000 0.550 197 F N 2.494 122.442 119.950 -0.003 0.000 2.850 197 F HA 0.594 5.123 4.527 0.003 0.000 0.329 197 F C 1.119 176.926 175.800 0.012 0.000 1.182 197 F CA 0.572 58.576 58.000 0.007 0.000 1.270 197 F CB 0.944 39.953 39.000 0.015 0.000 0.979 197 F HN 1.059 9.359 8.300 -0.000 0.000 0.506 198 G N -0.346 108.504 108.800 0.083 0.000 2.362 198 G HA2 0.322 4.283 3.960 0.003 0.000 0.288 198 G HA3 0.322 4.283 3.960 0.003 0.000 0.288 198 G C -2.113 172.788 174.900 0.001 0.000 1.305 198 G CA -0.388 44.746 45.100 0.057 0.000 0.910 198 G HN 0.206 8.496 8.290 -0.000 0.000 0.518 199 V N -0.647 119.256 119.914 -0.019 0.000 2.667 199 V HA 0.847 4.968 4.120 0.003 0.000 0.308 199 V C -0.339 175.638 176.094 -0.195 0.000 1.048 199 V CA -0.721 61.486 62.300 -0.155 0.000 0.928 199 V CB 1.730 33.399 31.823 -0.257 0.000 1.004 199 V HN 1.179 9.369 8.190 -0.000 0.000 0.444 200 V N 6.707 126.467 119.914 -0.256 0.000 2.394 200 V HA 0.518 4.639 4.120 0.003 0.000 0.282 200 V C -0.832 175.109 176.094 -0.255 0.000 1.031 200 V CA -0.413 61.813 62.300 -0.123 0.000 0.881 200 V CB 0.894 32.691 31.823 -0.044 0.000 0.982 200 V HN 0.867 9.057 8.190 -0.000 0.000 0.451 201 Y N 2.271 122.646 120.300 0.125 0.000 2.446 201 Y HA 0.500 5.051 4.550 0.001 0.000 0.338 201 Y C 0.361 176.276 175.900 0.026 0.000 1.055 201 Y CA -0.930 57.231 58.100 0.103 0.000 1.101 201 Y CB 1.607 40.176 38.460 0.182 0.000 1.221 201 Y HN 0.480 8.760 8.280 -0.000 0.000 0.460 202 K N 1.329 121.806 120.400 0.129 0.000 2.322 202 K HA 0.574 4.896 4.320 0.003 0.000 0.283 202 K C -0.159 176.402 176.600 -0.064 0.000 1.042 202 K CA -0.112 56.136 56.287 -0.064 0.000 0.958 202 K CB 0.355 32.785 32.500 -0.116 0.000 0.984 202 K HN 0.947 9.197 8.250 -0.000 0.000 0.473 203 G N 2.468 111.149 108.800 -0.197 0.000 2.605 203 G HA2 0.484 4.446 3.960 0.003 0.000 0.296 203 G HA3 0.484 4.446 3.960 0.003 0.000 0.296 203 G C -1.943 172.787 174.900 -0.284 0.000 1.304 203 G CA -0.581 44.435 45.100 -0.140 0.000 0.941 203 G HN 0.538 8.828 8.290 -0.000 0.000 0.475 204 Y N 0.131 120.365 120.300 -0.111 0.000 2.327 204 Y HA 0.483 5.035 4.550 0.004 0.000 0.325 204 Y C -0.027 175.844 175.900 -0.048 0.000 0.999 204 Y CA -0.836 57.215 58.100 -0.082 0.000 1.195 204 Y CB 2.450 40.864 38.460 -0.078 0.000 1.132 204 Y HN 0.500 8.780 8.280 -0.000 0.000 0.455 205 V N 2.051 122.016 119.914 0.085 0.000 2.588 205 V HA 0.526 4.648 4.120 0.003 0.000 0.304 205 V C -0.080 176.072 176.094 0.096 0.000 1.042 205 V CA -0.728 61.633 62.300 0.102 0.000 0.877 205 V CB 1.736 33.645 31.823 0.144 0.000 0.996 205 V HN 0.989 9.179 8.190 -0.000 0.000 0.425 206 N N 4.558 123.308 118.700 0.082 0.000 2.780 206 N HA -0.218 4.524 4.740 0.003 0.000 0.248 206 N C 0.727 176.273 175.510 0.059 0.000 1.102 206 N CA 0.988 54.072 53.050 0.057 0.000 0.697 206 N CB -1.046 37.469 38.487 0.047 0.000 1.028 206 N HN 1.153 9.533 8.380 -0.000 0.000 0.554 207 N N -2.107 116.638 118.700 0.076 0.000 2.857 207 N HA -0.190 4.551 4.740 0.003 0.000 0.242 207 N C -0.818 174.763 175.510 0.118 0.000 0.983 207 N CA 1.692 54.797 53.050 0.092 0.000 0.934 207 N CB -0.746 37.774 38.487 0.056 0.000 1.115 207 N HN 0.348 8.728 8.380 -0.000 0.000 0.593 208 T N 0.629 115.239 114.554 0.093 0.000 2.767 208 T HA 0.297 4.649 4.350 0.003 0.000 0.288 208 T C 0.316 174.982 174.700 -0.057 0.000 0.963 208 T CA -0.384 61.741 62.100 0.042 0.000 1.019 208 T CB 1.841 70.731 68.868 0.036 0.000 0.923 208 T HN -0.082 8.158 8.240 -0.000 0.000 0.468 209 T N 3.609 118.050 114.554 -0.188 0.000 2.888 209 T HA 0.433 4.785 4.350 0.003 0.000 0.301 209 T C 0.672 175.194 174.700 -0.296 0.000 1.001 209 T CA -0.560 61.206 62.100 -0.557 0.000 1.147 209 T CB 0.250 68.640 68.868 -0.796 0.000 0.931 209 T HN 0.646 8.886 8.240 -0.000 0.000 0.541 210 V N -0.288 119.423 119.914 -0.340 0.000 3.126 210 V HA 0.997 5.118 4.120 0.003 0.000 0.314 210 V C -0.445 175.586 176.094 -0.105 0.000 1.138 210 V CA -1.713 60.515 62.300 -0.119 0.000 1.034 210 V CB 1.757 33.529 31.823 -0.086 0.000 1.075 210 V HN 0.966 9.156 8.190 -0.000 0.000 0.442 211 A N 1.347 124.216 122.820 0.081 0.000 2.271 211 A HA 0.793 5.114 4.320 0.003 0.000 0.317 211 A C -0.557 177.134 177.584 0.179 0.000 1.245 211 A CA -0.590 51.536 52.037 0.150 0.000 0.857 211 A CB 0.995 20.126 19.000 0.218 0.000 1.175 211 A HN 1.329 9.479 8.150 -0.000 0.000 0.512 212 V N 3.455 123.477 119.914 0.179 0.000 2.328 212 V HA 0.303 4.425 4.120 0.003 0.000 0.278 212 V C 0.367 176.667 176.094 0.345 0.000 1.021 212 V CA -0.630 61.812 62.300 0.237 0.000 0.838 212 V CB 1.063 33.040 31.823 0.257 0.000 0.999 212 V HN 0.858 9.048 8.190 -0.000 0.000 0.447 213 K N 4.959 125.552 120.400 0.321 0.000 2.263 213 K HA 0.317 4.639 4.320 0.003 0.000 0.282 213 K C -0.170 176.584 176.600 0.257 0.000 1.089 213 K CA -0.487 55.971 56.287 0.284 0.000 0.907 213 K CB 0.587 33.264 32.500 0.295 0.000 1.148 213 K HN 0.632 8.882 8.250 -0.000 0.000 0.470 214 K N 5.680 126.219 120.400 0.231 0.000 2.227 214 K HA 0.233 4.555 4.320 0.003 0.000 0.280 214 K C -0.446 176.210 176.600 0.092 0.000 1.041 214 K CA -0.513 55.827 56.287 0.088 0.000 0.905 214 K CB 0.667 33.071 32.500 -0.160 0.000 1.068 214 K HN 0.558 8.808 8.250 -0.000 0.000 0.470 215 L N 2.967 124.243 121.223 0.088 0.000 2.375 215 L HA 0.542 4.884 4.340 0.003 0.000 0.271 215 L C -0.104 176.794 176.870 0.048 0.000 1.107 215 L CA -0.641 54.258 54.840 0.098 0.000 0.806 215 L CB 1.549 43.684 42.059 0.127 0.000 1.146 215 L HN 0.748 8.978 8.230 -0.000 0.000 0.447 216 A N 1.985 124.851 122.820 0.077 0.000 2.455 216 A HA 0.743 5.065 4.320 0.003 0.000 0.300 216 A C -0.574 177.061 177.584 0.085 0.000 1.040 216 A CA -0.563 51.505 52.037 0.052 0.000 0.697 216 A CB 1.568 20.593 19.000 0.041 0.000 1.265 216 A HN 0.732 8.882 8.150 -0.000 0.000 0.407 217 A N 2.757 125.608 122.820 0.053 0.000 2.395 217 A HA 0.525 4.847 4.320 0.003 0.000 0.286 217 A C 0.622 178.246 177.584 0.066 0.000 1.193 217 A CA 0.018 52.096 52.037 0.067 0.000 0.852 217 A CB -0.086 18.932 19.000 0.029 0.000 1.118 217 A HN 0.958 9.108 8.150 -0.000 0.000 0.524 218 M N 2.868 122.526 119.600 0.097 0.000 3.033 218 M HA 0.133 4.615 4.480 0.003 0.000 0.178 218 M C 1.365 177.698 176.300 0.054 0.000 1.565 218 M CA 1.365 56.700 55.300 0.058 0.000 1.488 218 M CB -0.395 32.225 32.600 0.033 0.000 0.877 218 M HN 0.626 8.916 8.290 -0.000 0.000 0.542 219 V N 0.622 120.577 119.914 0.067 0.000 4.690 219 V HA 0.070 4.192 4.120 0.003 0.000 0.267 219 V C 0.741 176.898 176.094 0.105 0.000 1.088 219 V CA 0.403 62.746 62.300 0.072 0.000 0.686 219 V CB -1.244 30.617 31.823 0.062 0.000 1.152 219 V HN 0.846 9.036 8.190 -0.000 0.000 0.353 220 D N 0.972 121.441 120.400 0.116 0.000 2.781 220 D HA -0.291 4.351 4.640 0.003 0.000 0.225 220 D C 0.647 176.981 176.300 0.057 0.000 1.177 220 D CA 1.176 55.233 54.000 0.096 0.000 0.620 220 D CB -1.548 39.332 40.800 0.134 0.000 1.038 220 D HN 0.985 9.355 8.370 -0.000 0.000 0.415 221 I N -1.836 118.761 120.570 0.045 0.000 3.214 221 I HA -0.058 4.114 4.170 0.003 0.000 0.335 221 I C -0.089 176.035 176.117 0.012 0.000 0.888 221 I CA 0.086 61.403 61.300 0.029 0.000 1.888 221 I CB -1.367 36.646 38.000 0.022 0.000 1.249 221 I HN -0.031 8.179 8.210 -0.000 0.000 0.905 222 T N -0.506 114.052 114.554 0.006 0.000 2.940 222 T HA 0.310 4.661 4.350 0.003 0.000 0.288 222 T C 0.890 175.577 174.700 -0.021 0.000 1.033 222 T CA -0.570 61.524 62.100 -0.010 0.000 1.033 222 T CB 2.280 71.137 68.868 -0.017 0.000 1.079 222 T HN 0.207 8.447 8.240 -0.000 0.000 0.496 223 T N 0.584 115.120 114.554 -0.030 0.000 3.021 223 T HA 0.010 4.362 4.350 0.003 0.000 0.245 223 T C 1.934 176.604 174.700 -0.051 0.000 1.028 223 T CA 0.701 62.775 62.100 -0.044 0.000 1.139 223 T CB -0.076 68.763 68.868 -0.047 0.000 0.884 223 T HN 0.844 9.084 8.240 -0.000 0.000 0.457 224 E N 0.918 121.093 120.200 -0.042 0.000 2.274 224 E HA -0.100 4.251 4.350 0.003 0.000 0.194 224 E C 1.866 178.439 176.600 -0.044 0.000 0.996 224 E CA 0.970 57.345 56.400 -0.042 0.000 0.840 224 E CB -0.025 29.655 29.700 -0.033 0.000 0.772 224 E HN 0.213 8.573 8.360 -0.000 0.000 0.491 225 E N 0.720 120.890 120.200 -0.050 0.000 2.170 225 E HA -0.035 4.317 4.350 0.003 0.000 0.191 225 E C 1.727 178.268 176.600 -0.098 0.000 0.981 225 E CA 0.342 56.701 56.400 -0.068 0.000 0.830 225 E CB -0.048 29.612 29.700 -0.066 0.000 0.775 225 E HN 0.372 8.732 8.360 -0.000 0.000 0.470 226 L N 0.224 121.397 121.223 -0.083 0.000 2.240 226 L HA 0.082 4.424 4.340 0.003 0.000 0.211 226 L C 1.940 178.787 176.870 -0.037 0.000 1.106 226 L CA 1.270 56.060 54.840 -0.084 0.000 0.793 226 L CB -0.095 41.934 42.059 -0.051 0.000 0.927 226 L HN -0.078 8.152 8.230 -0.000 0.000 0.446 227 K N -0.594 119.778 120.400 -0.047 0.000 2.228 227 K HA -0.076 4.246 4.320 0.003 0.000 0.202 227 K C 1.932 178.563 176.600 0.051 0.000 1.051 227 K CA 0.978 57.249 56.287 -0.027 0.000 0.960 227 K CB 0.156 32.608 32.500 -0.081 0.000 0.743 227 K HN 0.516 8.766 8.250 -0.000 0.000 0.458 228 Q N 0.135 119.934 119.800 -0.002 0.000 2.079 228 Q HA -0.142 4.200 4.340 0.003 0.000 0.200 228 Q C 2.129 178.124 176.000 -0.008 0.000 0.974 228 Q CA 1.300 57.099 55.803 -0.006 0.000 0.840 228 Q CB 0.068 28.785 28.738 -0.034 0.000 0.898 228 Q HN 0.373 8.643 8.270 -0.000 0.000 0.430 229 Q N -0.228 119.546 119.800 -0.042 0.000 2.084 229 Q HA -0.178 4.163 4.340 0.003 0.000 0.202 229 Q C 1.885 177.891 176.000 0.010 0.000 0.978 229 Q CA 1.240 57.002 55.803 -0.068 0.000 0.844 229 Q CB -0.252 28.367 28.738 -0.198 0.000 0.898 229 Q HN 0.303 8.573 8.270 -0.000 0.000 0.426 230 F N 2.372 122.270 119.950 -0.086 0.000 2.063 230 F HA -0.316 4.212 4.527 0.002 0.000 0.298 230 F C 1.589 177.335 175.800 -0.090 0.000 1.109 230 F CA 1.956 59.915 58.000 -0.069 0.000 1.212 230 F CB -0.067 38.889 39.000 -0.072 0.000 0.973 230 F HN 0.048 8.348 8.300 -0.000 0.000 0.480 231 D N -0.475 119.971 120.400 0.077 0.000 2.183 231 D HA -0.167 4.475 4.640 0.003 0.000 0.203 231 D C 2.107 178.352 176.300 -0.091 0.000 0.969 231 D CA 1.186 55.163 54.000 -0.037 0.000 0.842 231 D CB -0.468 40.361 40.800 0.049 0.000 0.957 231 D HN 0.382 8.752 8.370 -0.000 0.000 0.484 232 Q N 0.966 120.731 119.800 -0.059 0.000 2.079 232 Q HA -0.163 4.178 4.340 0.003 0.000 0.200 232 Q C 1.879 177.835 176.000 -0.074 0.000 0.974 232 Q CA 1.612 57.382 55.803 -0.055 0.000 0.840 232 Q CB -0.109 28.607 28.738 -0.037 0.000 0.898 232 Q HN 0.152 8.422 8.270 -0.000 0.000 0.430 233 E N 0.154 120.307 120.200 -0.080 0.000 2.049 233 E HA -0.208 4.143 4.350 0.003 0.000 0.198 233 E C 1.744 178.258 176.600 -0.143 0.000 1.007 233 E CA 1.985 58.355 56.400 -0.051 0.000 0.809 233 E CB -0.517 29.150 29.700 -0.055 0.000 0.749 233 E HN 0.538 8.898 8.360 -0.000 0.000 0.450 234 I N 0.252 120.654 120.570 -0.280 0.000 2.264 234 I HA -0.265 3.906 4.170 0.003 0.000 0.248 234 I C 2.601 178.690 176.117 -0.047 0.000 1.111 234 I CA 1.430 62.560 61.300 -0.284 0.000 1.382 234 I CB -0.242 37.483 38.000 -0.458 0.000 1.060 234 I HN 0.155 8.365 8.210 -0.000 0.000 0.418 235 K N 0.543 120.904 120.400 -0.066 0.000 2.062 235 K HA -0.115 4.207 4.320 0.003 0.000 0.205 235 K C 2.043 178.623 176.600 -0.033 0.000 1.051 235 K CA 1.156 57.434 56.287 -0.014 0.000 0.941 235 K CB 0.122 32.608 32.500 -0.023 0.000 0.719 235 K HN 0.081 8.331 8.250 -0.000 0.000 0.440 236 V N 1.283 121.120 119.914 -0.128 0.000 2.427 236 V HA -0.225 3.897 4.120 0.003 0.000 0.248 236 V C 2.344 178.309 176.094 -0.216 0.000 1.051 236 V CA 1.322 63.445 62.300 -0.295 0.000 1.048 236 V CB -0.291 31.245 31.823 -0.479 0.000 0.666 236 V HN 0.405 8.595 8.190 -0.000 0.000 0.456 237 M N -0.277 119.250 119.600 -0.122 0.000 2.296 237 M HA -0.053 4.429 4.480 0.003 0.000 0.265 237 M C 2.363 178.842 176.300 0.298 0.000 1.064 237 M CA 1.720 57.027 55.300 0.011 0.000 1.109 237 M CB -1.275 31.294 32.600 -0.051 0.000 1.396 237 M HN 0.419 8.709 8.290 -0.000 0.000 0.430 238 A N 0.657 123.663 122.820 0.310 0.000 1.877 238 A HA -0.163 4.159 4.320 0.003 0.000 0.216 238 A C 2.248 179.888 177.584 0.094 0.000 1.186 238 A CA 1.569 53.731 52.037 0.209 0.000 0.620 238 A CB -0.380 18.699 19.000 0.133 0.000 0.822 238 A HN 0.458 8.608 8.150 -0.000 0.000 0.443 239 K N -1.935 118.517 120.400 0.087 0.000 2.379 239 K HA 0.135 4.457 4.320 0.003 0.000 0.194 239 K C -0.614 176.082 176.600 0.159 0.000 1.031 239 K CA 0.062 56.412 56.287 0.104 0.000 1.037 239 K CB 0.164 32.740 32.500 0.127 0.000 0.824 239 K HN 0.421 8.671 8.250 -0.000 0.000 0.516 240 C N 1.766 121.149 119.300 0.139 0.000 2.321 240 C HA 0.391 4.853 4.460 0.003 0.000 0.323 240 C C -0.543 174.508 174.990 0.103 0.000 1.191 240 C CA -0.910 58.258 59.018 0.250 0.000 1.455 240 C CB 0.414 28.225 27.740 0.118 0.000 2.083 240 C HN 0.302 8.532 8.230 -0.000 0.000 0.442 241 Q N 2.785 122.615 119.800 0.051 0.000 2.321 241 Q HA 0.530 4.872 4.340 0.003 0.000 0.270 241 Q C -0.878 174.905 176.000 -0.362 0.000 1.032 241 Q CA -0.319 55.430 55.803 -0.091 0.000 0.784 241 Q CB 2.353 31.088 28.738 -0.006 0.000 1.264 241 Q HN 0.869 9.139 8.270 -0.000 0.000 0.448 242 H N 0.996 119.787 119.070 -0.464 0.000 3.064 242 H HA 0.009 4.566 4.556 0.003 0.000 0.352 242 H C 0.092 175.257 175.328 -0.271 0.000 1.260 242 H CA -0.127 55.568 56.048 -0.588 0.000 1.160 242 H CB 2.026 31.158 29.762 -1.049 0.000 1.879 242 H HN 0.835 9.115 8.280 -0.000 0.000 0.544 243 E N 2.535 122.291 120.200 -0.741 0.000 2.171 243 E HA -0.205 4.147 4.350 0.003 0.000 0.197 243 E C -0.250 176.270 176.600 -0.134 0.000 0.997 243 E CA 2.146 58.301 56.400 -0.408 0.000 0.810 243 E CB 0.020 29.405 29.700 -0.525 0.000 0.738 243 E HN 0.561 8.921 8.360 -0.000 0.000 0.467 244 N N -0.300 118.457 118.700 0.094 0.000 2.389 244 N HA 0.285 5.027 4.740 0.003 0.000 0.260 244 N C -1.294 174.306 175.510 0.150 0.000 1.191 244 N CA -0.196 52.949 53.050 0.158 0.000 0.885 244 N CB 0.736 39.342 38.487 0.199 0.000 1.162 244 N HN 0.037 8.417 8.380 -0.000 0.000 0.512 245 L N 0.431 121.729 121.223 0.125 0.000 2.388 245 L HA 0.554 4.896 4.340 0.003 0.000 0.264 245 L C 0.275 177.231 176.870 0.143 0.000 0.998 245 L CA -1.502 53.446 54.840 0.180 0.000 0.817 245 L CB 1.803 43.950 42.059 0.147 0.000 1.338 245 L HN -0.106 8.124 8.230 -0.000 0.000 0.414 246 V N -0.992 119.043 119.914 0.202 0.000 3.287 246 V HA 0.223 4.345 4.120 0.003 0.000 0.306 246 V C -0.081 176.139 176.094 0.211 0.000 1.103 246 V CA -0.352 62.042 62.300 0.157 0.000 1.159 246 V CB 0.538 32.410 31.823 0.082 0.000 1.036 246 V HN 0.823 9.013 8.190 -0.000 0.000 0.487 247 E N 1.720 122.050 120.200 0.217 0.000 2.165 247 E HA 0.491 4.843 4.350 0.003 0.000 0.266 247 E C -1.103 175.653 176.600 0.259 0.000 0.889 247 E CA -0.810 55.714 56.400 0.207 0.000 0.756 247 E CB 1.957 31.740 29.700 0.139 0.000 1.131 247 E HN 0.688 9.048 8.360 -0.000 0.000 0.411 248 L N 4.462 125.762 121.223 0.129 0.000 2.331 248 L HA 0.192 4.533 4.340 0.003 0.000 0.278 248 L C 0.001 176.837 176.870 -0.058 0.000 1.106 248 L CA 0.506 55.207 54.840 -0.231 0.000 0.824 248 L CB 0.615 42.278 42.059 -0.659 0.000 1.142 248 L HN 0.713 8.943 8.230 -0.000 0.000 0.443 249 L N 4.218 125.411 121.223 -0.050 0.000 2.515 249 L HA 0.531 4.873 4.340 0.003 0.000 0.223 249 L C 0.888 177.960 176.870 0.337 0.000 1.079 249 L CA 0.385 55.346 54.840 0.203 0.000 0.857 249 L CB -0.028 42.160 42.059 0.216 0.000 1.050 249 L HN 0.822 9.052 8.230 -0.000 0.000 0.476 250 G N -0.202 108.695 108.800 0.162 0.000 2.320 250 G HA2 0.424 4.386 3.960 0.003 0.000 0.296 250 G HA3 0.424 4.386 3.960 0.003 0.000 0.296 250 G C -1.967 173.024 174.900 0.152 0.000 1.306 250 G CA -0.423 44.839 45.100 0.271 0.000 0.836 250 G HN -0.070 8.220 8.290 -0.000 0.000 0.517 251 F N -1.769 118.340 119.950 0.266 0.000 2.713 251 F HA 0.882 5.411 4.527 0.003 0.000 0.311 251 F C -0.513 175.479 175.800 0.319 0.000 1.141 251 F CA -1.169 56.950 58.000 0.198 0.000 0.939 251 F CB 1.797 40.870 39.000 0.122 0.000 1.325 251 F HN 0.817 9.117 8.300 -0.000 0.000 0.453 252 S N 0.110 116.156 115.700 0.576 0.000 2.707 252 S HA 0.540 5.012 4.470 0.003 0.000 0.303 252 S C -0.143 174.708 174.600 0.418 0.000 1.132 252 S CA 0.131 58.596 58.200 0.442 0.000 1.046 252 S CB 1.118 64.543 63.200 0.375 0.000 1.004 252 S HN 1.079 9.389 8.310 -0.000 0.000 0.483 253 S N 2.919 118.837 115.700 0.364 0.000 2.512 253 S HA 0.148 4.619 4.470 0.003 0.000 0.216 253 S C 0.578 175.178 174.600 -0.001 0.000 1.006 253 S CA 0.037 58.301 58.200 0.106 0.000 0.915 253 S CB -0.393 62.914 63.200 0.179 0.000 0.824 253 S HN 0.807 9.117 8.310 -0.000 0.000 0.497 254 D N 2.517 122.955 120.400 0.064 0.000 2.197 254 D HA 0.380 5.022 4.640 0.003 0.000 0.290 254 D C 1.407 177.625 176.300 -0.136 0.000 1.145 254 D CA 0.144 54.147 54.000 0.004 0.000 1.061 254 D CB -1.306 39.540 40.800 0.077 0.000 1.151 254 D HN 0.164 8.534 8.370 -0.000 0.000 0.504 255 G N -0.446 108.253 108.800 -0.168 0.000 2.374 255 G HA2 -0.364 3.598 3.960 0.003 0.000 0.296 255 G HA3 -0.364 3.598 3.960 0.003 0.000 0.296 255 G C 0.103 174.585 174.900 -0.697 0.000 0.801 255 G CA 1.060 45.840 45.100 -0.532 0.000 0.926 255 G HN 0.704 8.994 8.290 -0.000 0.000 0.488 256 D N 0.028 120.206 120.400 -0.370 0.000 4.046 256 D HA -0.062 4.580 4.640 0.003 0.000 0.211 256 D C 0.119 176.218 176.300 -0.335 0.000 1.021 256 D CA 0.724 54.539 54.000 -0.309 0.000 1.578 256 D CB 0.023 40.700 40.800 -0.204 0.000 1.240 256 D HN 0.301 8.671 8.370 -0.000 0.000 0.552 257 D N 0.351 120.477 120.400 -0.457 0.000 2.233 257 D HA 0.250 4.892 4.640 0.003 0.000 0.240 257 D C 0.108 176.293 176.300 -0.191 0.000 1.074 257 D CA -0.486 53.344 54.000 -0.284 0.000 0.838 257 D CB 1.217 41.874 40.800 -0.239 0.000 1.124 257 D HN 0.178 8.548 8.370 -0.000 0.000 0.475 258 L N 2.087 123.210 121.223 -0.166 0.000 2.305 258 L HA 0.368 4.710 4.340 0.003 0.000 0.281 258 L C -0.148 176.792 176.870 0.116 0.000 1.085 258 L CA -0.423 54.320 54.840 -0.162 0.000 0.813 258 L CB 0.913 42.684 42.059 -0.479 0.000 1.157 258 L HN 0.246 8.476 8.230 -0.000 0.000 0.436 259 C N 4.212 123.688 119.300 0.294 0.000 2.507 259 C HA 0.680 5.141 4.460 0.003 0.000 0.319 259 C C -0.072 175.145 174.990 0.379 0.000 1.208 259 C CA -0.813 58.395 59.018 0.317 0.000 1.619 259 C CB 1.510 29.426 27.740 0.293 0.000 2.230 259 C HN 0.614 8.844 8.230 -0.000 0.000 0.492 260 L N 2.808 124.172 121.223 0.235 0.000 2.362 260 L HA 0.731 5.072 4.340 0.003 0.000 0.275 260 L C -0.738 176.075 176.870 -0.095 0.000 0.998 260 L CA -0.447 54.404 54.840 0.019 0.000 0.820 260 L CB 1.699 43.751 42.059 -0.012 0.000 1.270 260 L HN 0.358 8.588 8.230 -0.000 0.000 0.415 261 V N 3.118 122.850 119.914 -0.302 0.000 2.448 261 V HA 0.490 4.612 4.120 0.003 0.000 0.295 261 V C -0.983 174.894 176.094 -0.361 0.000 1.025 261 V CA -0.607 61.531 62.300 -0.270 0.000 0.859 261 V CB 1.459 33.022 31.823 -0.433 0.000 0.988 261 V HN 0.451 8.641 8.190 -0.000 0.000 0.431 262 Y N 1.812 122.107 120.300 -0.008 0.000 2.570 262 Y HA 0.556 5.107 4.550 0.002 0.000 0.345 262 Y C 0.188 176.112 175.900 0.039 0.000 1.014 262 Y CA -1.244 56.870 58.100 0.023 0.000 1.063 262 Y CB 1.826 40.304 38.460 0.030 0.000 1.272 262 Y HN 0.339 8.619 8.280 -0.000 0.000 0.477 263 V N 2.706 122.756 119.914 0.226 0.000 2.557 263 V HA -0.191 3.931 4.120 0.003 0.000 0.301 263 V C -0.109 176.088 176.094 0.172 0.000 1.026 263 V CA 0.032 62.428 62.300 0.160 0.000 1.137 263 V CB -0.684 31.209 31.823 0.117 0.000 0.917 263 V HN 0.693 8.883 8.190 -0.000 0.000 0.484 264 Y N 6.277 126.574 120.300 -0.003 0.000 2.610 264 Y HA 0.168 4.720 4.550 0.003 0.000 0.332 264 Y C 0.498 176.364 175.900 -0.058 0.000 1.201 264 Y CA -0.339 57.734 58.100 -0.044 0.000 1.465 264 Y CB 0.523 38.928 38.460 -0.093 0.000 1.283 264 Y HN 0.477 8.757 8.280 -0.000 0.000 0.563 265 M N 9.276 128.595 119.600 -0.469 0.000 2.055 265 M HA 0.201 4.683 4.480 0.003 0.000 0.346 265 M C -2.004 173.702 176.300 -0.990 0.000 1.074 265 M CA -2.340 52.638 55.300 -0.537 0.000 1.009 265 M CB 0.801 33.217 32.600 -0.306 0.000 1.423 265 M HN 0.512 8.802 8.290 -0.000 0.000 0.410 266 P HA -0.062 4.358 4.420 -0.000 0.000 0.222 266 P C 0.629 177.635 177.300 -0.490 0.000 1.147 266 P CA 1.214 63.774 63.100 -0.900 0.000 0.790 266 P CB 0.321 31.770 31.700 -0.419 0.000 0.780 267 N N -1.023 117.397 118.700 -0.466 0.000 2.214 267 N HA 0.122 4.864 4.740 0.003 0.000 0.214 267 N C 1.167 176.551 175.510 -0.210 0.000 1.132 267 N CA 0.746 53.580 53.050 -0.360 0.000 0.856 267 N CB 0.516 38.595 38.487 -0.680 0.000 1.020 267 N HN 0.062 8.442 8.380 -0.000 0.000 0.509 268 G N 1.381 110.050 108.800 -0.219 0.000 2.582 268 G HA2 -0.327 3.635 3.960 0.003 0.000 0.288 268 G HA3 -0.327 3.635 3.960 0.003 0.000 0.288 268 G C 0.036 174.875 174.900 -0.102 0.000 1.247 268 G CA 0.357 45.378 45.100 -0.132 0.000 0.972 268 G HN 0.478 8.768 8.290 -0.000 0.000 0.557 269 S N -0.636 115.026 115.700 -0.062 0.000 2.646 269 S HA 0.583 5.055 4.470 0.003 0.000 0.276 269 S C 1.346 175.937 174.600 -0.014 0.000 1.222 269 S CA 0.247 58.416 58.200 -0.051 0.000 1.014 269 S CB 1.837 65.005 63.200 -0.054 0.000 0.991 269 S HN 1.755 10.065 8.310 -0.000 0.000 0.533 270 L N 1.605 122.823 121.223 -0.009 0.000 2.042 270 L HA -0.003 4.339 4.340 0.003 0.000 0.210 270 L C 2.178 179.062 176.870 0.023 0.000 1.076 270 L CA 1.742 56.593 54.840 0.018 0.000 0.749 270 L CB -1.223 40.843 42.059 0.012 0.000 0.893 270 L HN 0.873 9.103 8.230 -0.000 0.000 0.432 271 L N -0.424 120.808 121.223 0.014 0.000 2.013 271 L HA -0.272 4.069 4.340 0.003 0.000 0.212 271 L C 2.000 178.886 176.870 0.027 0.000 1.073 271 L CA 2.200 57.057 54.840 0.028 0.000 0.753 271 L CB -0.803 41.271 42.059 0.025 0.000 0.890 271 L HN 0.344 8.573 8.230 -0.000 0.000 0.432 272 D N -1.347 119.064 120.400 0.018 0.000 2.194 272 D HA -0.072 4.570 4.640 0.003 0.000 0.204 272 D C 2.284 178.604 176.300 0.035 0.000 0.964 272 D CA 0.517 54.530 54.000 0.021 0.000 0.846 272 D CB -0.071 40.734 40.800 0.009 0.000 0.962 272 D HN 0.229 8.599 8.370 -0.000 0.000 0.490 273 R N 0.396 120.923 120.500 0.046 0.000 2.092 273 R HA 0.010 4.352 4.340 0.003 0.000 0.231 273 R C 2.426 178.758 176.300 0.053 0.000 1.119 273 R CA 0.328 56.471 56.100 0.071 0.000 0.970 273 R CB -0.867 29.505 30.300 0.120 0.000 0.864 273 R HN 0.304 8.574 8.270 -0.000 0.000 0.440 274 L N 1.087 122.336 121.223 0.045 0.000 2.201 274 L HA -0.109 4.233 4.340 0.003 0.000 0.212 274 L C 2.167 179.059 176.870 0.038 0.000 1.105 274 L CA 1.493 56.357 54.840 0.040 0.000 0.775 274 L CB -0.366 41.717 42.059 0.041 0.000 0.913 274 L HN 0.217 8.447 8.230 -0.000 0.000 0.440 275 S N -2.640 113.081 115.700 0.036 0.000 2.548 275 S HA -0.030 4.442 4.470 0.003 0.000 0.215 275 S C 1.104 175.722 174.600 0.031 0.000 0.976 275 S CA 0.121 58.340 58.200 0.032 0.000 0.908 275 S CB -0.340 62.878 63.200 0.030 0.000 0.781 275 S HN 0.447 8.757 8.310 -0.000 0.000 0.519 276 C N 0.774 120.095 119.300 0.035 0.000 4.432 276 C HA -0.126 4.336 4.460 0.003 0.000 0.294 276 C C 0.400 175.411 174.990 0.034 0.000 1.398 276 C CA -0.178 58.862 59.018 0.036 0.000 1.988 276 C CB -3.108 24.651 27.740 0.031 0.000 1.251 276 C HN 0.816 9.046 8.230 -0.000 0.000 0.791 277 L N 1.749 122.992 121.223 0.032 0.000 2.543 277 L HA 0.283 4.625 4.340 0.003 0.000 0.285 277 L C 1.001 177.889 176.870 0.030 0.000 1.236 277 L CA 1.687 56.544 54.840 0.027 0.000 0.871 277 L CB 0.192 42.264 42.059 0.022 0.000 1.121 277 L HN 0.474 8.704 8.230 -0.000 0.000 0.501 278 D N 3.350 123.766 120.400 0.027 0.000 2.911 278 D HA -0.204 4.438 4.640 0.003 0.000 0.227 278 D C 1.002 177.321 176.300 0.033 0.000 1.164 278 D CA 1.449 55.467 54.000 0.029 0.000 0.782 278 D CB -1.566 39.252 40.800 0.031 0.000 1.094 278 D HN 1.270 9.640 8.370 -0.000 0.000 0.425 279 G N -0.782 108.037 108.800 0.031 0.000 2.160 279 G HA2 -0.299 3.662 3.960 0.003 0.000 0.251 279 G HA3 -0.299 3.662 3.960 0.003 0.000 0.251 279 G C 0.490 175.412 174.900 0.038 0.000 1.008 279 G CA 1.052 46.171 45.100 0.031 0.000 0.724 279 G HN 1.013 9.303 8.290 -0.000 0.000 0.514 280 T N -0.509 114.073 114.554 0.046 0.000 2.918 280 T HA 0.549 4.901 4.350 0.003 0.000 0.302 280 T C -1.825 172.905 174.700 0.049 0.000 1.045 280 T CA -1.099 61.037 62.100 0.060 0.000 1.114 280 T CB 1.689 70.608 68.868 0.085 0.000 0.965 280 T HN 0.130 8.370 8.240 -0.000 0.000 0.540 281 P HA 0.283 4.703 4.420 -0.000 0.000 0.268 281 P C -2.459 174.848 177.300 0.011 0.000 1.205 281 P CA -1.342 61.772 63.100 0.023 0.000 0.771 281 P CB -0.885 30.823 31.700 0.014 0.000 0.858 282 P HA 0.043 4.463 4.420 -0.000 0.000 0.265 282 P C -0.239 177.046 177.300 -0.024 0.000 1.193 282 P CA 0.285 63.388 63.100 0.005 0.000 0.765 282 P CB 0.223 31.931 31.700 0.014 0.000 0.823 283 L N 2.085 123.288 121.223 -0.033 0.000 2.455 283 L HA 0.076 4.418 4.340 0.003 0.000 0.272 283 L C 1.272 178.127 176.870 -0.026 0.000 1.174 283 L CA -0.092 54.697 54.840 -0.084 0.000 0.869 283 L CB -0.017 41.995 42.059 -0.079 0.000 1.130 283 L HN 0.493 8.723 8.230 -0.000 0.000 0.474 284 S N 2.834 118.508 115.700 -0.043 0.000 2.608 284 S HA 0.001 4.473 4.470 0.003 0.000 0.261 284 S C 0.868 175.524 174.600 0.093 0.000 1.314 284 S CA -0.663 57.568 58.200 0.051 0.000 0.992 284 S CB 0.774 64.005 63.200 0.052 0.000 0.935 284 S HN 0.865 9.175 8.310 -0.000 0.000 0.564 285 W N 1.657 122.957 121.300 -0.001 0.000 2.381 285 W HA -0.190 4.471 4.660 0.002 0.000 0.301 285 W C 2.128 178.650 176.519 0.006 0.000 1.205 285 W CA 1.857 59.203 57.345 0.002 0.000 1.285 285 W CB -0.653 28.816 29.460 0.015 0.000 1.133 285 W HN 1.021 9.201 8.180 -0.000 0.000 0.521 286 H N 0.390 119.398 119.070 -0.103 0.000 2.289 286 H HA -0.236 4.321 4.556 0.003 0.000 0.296 286 H C 2.197 177.384 175.328 -0.235 0.000 1.091 286 H CA 2.335 58.273 56.048 -0.184 0.000 1.274 286 H CB -0.319 29.406 29.762 -0.063 0.000 1.364 286 H HN 0.033 8.313 8.280 -0.000 0.000 0.490 287 M N 0.708 120.141 119.600 -0.279 0.000 2.229 287 M HA -0.109 4.373 4.480 0.003 0.000 0.264 287 M C 2.438 178.553 176.300 -0.309 0.000 1.063 287 M CA 1.203 56.318 55.300 -0.308 0.000 1.114 287 M CB -0.742 31.688 32.600 -0.283 0.000 1.387 287 M HN 0.316 8.606 8.290 -0.000 0.000 0.420 288 R N -1.349 118.951 120.500 -0.332 0.000 2.092 288 R HA -0.111 4.231 4.340 0.003 0.000 0.231 288 R C 2.416 178.436 176.300 -0.467 0.000 1.119 288 R CA 1.425 57.322 56.100 -0.339 0.000 0.970 288 R CB -0.722 29.390 30.300 -0.313 0.000 0.864 288 R HN 0.356 8.626 8.270 -0.000 0.000 0.440 289 C N 1.060 119.940 119.300 -0.701 0.000 2.413 289 C HA -0.133 4.329 4.460 0.003 0.000 0.277 289 C C 2.647 177.440 174.990 -0.327 0.000 1.228 289 C CA 0.747 59.424 59.018 -0.568 0.000 1.731 289 C CB -0.696 26.655 27.740 -0.647 0.000 2.042 289 C HN 0.502 8.732 8.230 -0.000 0.000 0.468 290 K N 0.574 120.770 120.400 -0.340 0.000 2.044 290 K HA -0.190 4.131 4.320 0.003 0.000 0.210 290 K C 1.824 178.352 176.600 -0.120 0.000 1.049 290 K CA 1.786 57.943 56.287 -0.215 0.000 0.927 290 K CB -0.344 32.017 32.500 -0.231 0.000 0.713 290 K HN 0.481 8.731 8.250 -0.000 0.000 0.443 291 I N 0.919 121.415 120.570 -0.123 0.000 2.226 291 I HA -0.268 3.903 4.170 0.003 0.000 0.245 291 I C 2.485 178.599 176.117 -0.005 0.000 1.100 291 I CA 1.260 62.532 61.300 -0.047 0.000 1.374 291 I CB -0.276 37.701 38.000 -0.038 0.000 1.057 291 I HN 0.287 8.497 8.210 -0.000 0.000 0.413 292 A N 0.002 122.799 122.820 -0.038 0.000 1.902 292 A HA -0.258 4.064 4.320 0.003 0.000 0.217 292 A C 2.239 179.913 177.584 0.150 0.000 1.181 292 A CA 1.579 53.657 52.037 0.068 0.000 0.623 292 A CB -0.579 18.399 19.000 -0.036 0.000 0.818 292 A HN 0.480 8.630 8.150 -0.000 0.000 0.443 293 Q N -0.791 119.028 119.800 0.031 0.000 2.046 293 Q HA -0.085 4.257 4.340 0.003 0.000 0.200 293 Q C 2.282 178.295 176.000 0.022 0.000 0.975 293 Q CA 1.169 56.986 55.803 0.024 0.000 0.836 293 Q CB -0.511 28.215 28.738 -0.019 0.000 0.896 293 Q HN 0.665 8.935 8.270 -0.000 0.000 0.428 294 G N 1.035 109.844 108.800 0.015 0.000 2.476 294 G HA2 -0.297 3.665 3.960 0.003 0.000 0.218 294 G HA3 -0.297 3.665 3.960 0.003 0.000 0.218 294 G C 1.519 176.428 174.900 0.015 0.000 1.164 294 G CA 1.058 46.171 45.100 0.022 0.000 0.768 294 G HN 0.430 8.720 8.290 -0.000 0.000 0.560 295 A N 1.018 123.859 122.820 0.035 0.000 1.930 295 A HA 0.319 4.641 4.320 0.003 0.000 0.217 295 A C 2.821 180.249 177.584 -0.261 0.000 1.175 295 A CA 2.170 54.203 52.037 -0.006 0.000 0.627 295 A CB -0.744 18.400 19.000 0.240 0.000 0.815 295 A HN 0.810 8.960 8.150 -0.000 0.000 0.443 296 A N 0.549 123.188 122.820 -0.302 0.000 1.902 296 A HA -0.233 4.089 4.320 0.003 0.000 0.217 296 A C 1.874 179.287 177.584 -0.285 0.000 1.181 296 A CA 1.712 53.453 52.037 -0.492 0.000 0.623 296 A CB -0.953 17.914 19.000 -0.221 0.000 0.818 296 A HN 0.736 8.886 8.150 -0.000 0.000 0.443 297 N N -0.318 118.302 118.700 -0.133 0.000 2.104 297 N HA -0.140 4.602 4.740 0.003 0.000 0.190 297 N C 1.870 177.275 175.510 -0.176 0.000 1.024 297 N CA 0.898 53.902 53.050 -0.076 0.000 0.853 297 N CB -0.358 38.173 38.487 0.074 0.000 1.008 297 N HN 0.509 8.889 8.380 -0.000 0.000 0.424 298 G N 1.751 110.472 108.800 -0.131 0.000 2.459 298 G HA2 -0.223 3.739 3.960 0.003 0.000 0.217 298 G HA3 -0.223 3.739 3.960 0.003 0.000 0.217 298 G C 1.483 176.297 174.900 -0.144 0.000 1.183 298 G CA 0.660 45.687 45.100 -0.121 0.000 0.776 298 G HN 0.199 8.489 8.290 -0.000 0.000 0.552 299 I N 0.941 121.360 120.570 -0.251 0.000 2.286 299 I HA -0.191 3.981 4.170 0.003 0.000 0.248 299 I C 2.565 178.435 176.117 -0.412 0.000 1.115 299 I CA 1.366 62.435 61.300 -0.384 0.000 1.392 299 I CB -0.343 37.321 38.000 -0.561 0.000 1.065 299 I HN 0.197 8.407 8.210 -0.000 0.000 0.418 300 N N 1.206 119.730 118.700 -0.295 0.000 2.104 300 N HA -0.277 4.464 4.740 0.003 0.000 0.190 300 N C 1.853 177.285 175.510 -0.130 0.000 1.024 300 N CA 1.515 54.453 53.050 -0.187 0.000 0.853 300 N CB -0.315 38.096 38.487 -0.126 0.000 1.008 300 N HN 0.280 8.660 8.380 -0.000 0.000 0.424 301 F N 0.678 120.447 119.950 -0.301 0.000 2.102 301 F HA -0.050 4.479 4.527 0.003 0.000 0.298 301 F C 1.887 177.617 175.800 -0.115 0.000 1.105 301 F CA 1.188 59.027 58.000 -0.269 0.000 1.239 301 F CB -0.303 38.387 39.000 -0.517 0.000 0.991 301 F HN 0.067 8.367 8.300 -0.000 0.000 0.474 302 L N -0.556 120.699 121.223 0.052 0.000 2.012 302 L HA -0.311 4.031 4.340 0.003 0.000 0.210 302 L C 2.551 179.486 176.870 0.109 0.000 1.073 302 L CA 2.021 56.942 54.840 0.135 0.000 0.748 302 L CB -1.016 41.183 42.059 0.233 0.000 0.891 302 L HN 0.254 8.484 8.230 -0.000 0.000 0.431 303 H N -0.929 118.090 119.070 -0.085 0.000 2.363 303 H HA -0.116 4.442 4.556 0.003 0.000 0.301 303 H C 2.150 177.305 175.328 -0.288 0.000 1.074 303 H CA 0.819 56.794 56.048 -0.120 0.000 1.354 303 H CB 0.231 29.955 29.762 -0.063 0.000 1.397 303 H HN 0.401 8.681 8.280 -0.000 0.000 0.516 304 E N 0.848 120.928 120.200 -0.201 0.000 2.171 304 E HA -0.169 4.182 4.350 0.003 0.000 0.197 304 E C 0.864 177.101 176.600 -0.605 0.000 0.997 304 E CA 1.128 57.304 56.400 -0.373 0.000 0.810 304 E CB -0.078 29.432 29.700 -0.317 0.000 0.738 304 E HN 0.518 8.878 8.360 -0.000 0.000 0.467 305 N N -0.572 117.799 118.700 -0.549 0.000 2.276 305 N HA 0.061 4.802 4.740 0.003 0.000 0.212 305 N C -0.988 174.261 175.510 -0.434 0.000 1.127 305 N CA 0.024 52.791 53.050 -0.472 0.000 0.834 305 N CB 0.323 38.588 38.487 -0.369 0.000 1.014 305 N HN 0.179 8.559 8.380 -0.000 0.000 0.491 306 H N -2.006 116.928 119.070 -0.227 0.000 2.886 306 H HA -0.176 4.382 4.556 0.003 0.000 0.294 306 H C -0.843 174.256 175.328 -0.382 0.000 1.246 306 H CA 0.512 56.398 56.048 -0.270 0.000 1.142 306 H CB -2.302 27.302 29.762 -0.263 0.000 1.358 306 H HN 0.508 8.788 8.280 -0.000 0.000 0.406 307 H N -0.507 118.596 119.070 0.055 0.000 2.492 307 H HA 0.570 5.128 4.556 0.003 0.000 0.345 307 H C 0.253 175.670 175.328 0.149 0.000 1.136 307 H CA -0.806 55.296 56.048 0.090 0.000 1.202 307 H CB 1.392 31.207 29.762 0.088 0.000 1.524 307 H HN 0.158 8.438 8.280 -0.000 0.000 0.506 308 I N 2.546 123.262 120.570 0.243 0.000 2.354 308 I HA 0.052 4.224 4.170 0.003 0.000 0.292 308 I C 1.094 177.379 176.117 0.280 0.000 0.989 308 I CA -0.408 61.023 61.300 0.218 0.000 1.188 308 I CB 1.466 39.518 38.000 0.087 0.000 1.342 308 I HN 0.767 8.977 8.210 -0.000 0.000 0.457 309 H N 6.962 126.178 119.070 0.244 0.000 2.317 309 H HA 0.096 4.653 4.556 0.003 0.000 0.304 309 H C 0.914 176.318 175.328 0.126 0.000 1.067 309 H CA 1.600 57.767 56.048 0.198 0.000 1.352 309 H CB 0.507 30.369 29.762 0.166 0.000 1.398 309 H HN 0.617 8.897 8.280 -0.000 0.000 0.510 310 R N -0.564 120.130 120.500 0.324 0.000 3.728 310 R HA -0.152 4.189 4.340 0.003 0.000 0.478 310 R C -0.719 175.716 176.300 0.225 0.000 0.932 310 R CA 1.081 57.303 56.100 0.205 0.000 1.317 310 R CB -1.584 28.783 30.300 0.110 0.000 1.987 310 R HN 0.326 8.596 8.270 -0.000 0.000 0.509 311 D N 0.392 121.037 120.400 0.408 0.000 3.220 311 D HA 0.198 4.840 4.640 0.003 0.000 0.309 311 D C -0.667 175.671 176.300 0.063 0.000 1.276 311 D CA -0.278 53.856 54.000 0.224 0.000 0.736 311 D CB 0.301 41.200 40.800 0.166 0.000 1.304 311 D HN 0.015 8.385 8.370 -0.000 0.000 0.582 312 I N 2.592 123.115 120.570 -0.078 0.000 2.452 312 I HA 0.209 4.381 4.170 0.003 0.000 0.287 312 I C 0.614 176.534 176.117 -0.329 0.000 1.079 312 I CA 0.269 61.407 61.300 -0.271 0.000 1.387 312 I CB 0.169 38.089 38.000 -0.134 0.000 1.404 312 I HN 0.234 8.444 8.210 -0.000 0.000 0.522 313 K N 2.325 122.465 120.400 -0.433 0.000 2.575 313 K HA 0.347 4.669 4.320 0.003 0.000 0.279 313 K C 0.417 176.811 176.600 -0.344 0.000 0.969 313 K CA -0.669 55.131 56.287 -0.812 0.000 0.868 313 K CB 1.075 32.816 32.500 -1.265 0.000 1.457 313 K HN 0.291 8.541 8.250 -0.000 0.000 0.426 314 S N -0.046 115.560 115.700 -0.157 0.000 2.442 314 S HA -0.147 4.325 4.470 0.003 0.000 0.236 314 S C 1.907 176.467 174.600 -0.067 0.000 1.007 314 S CA 0.871 59.050 58.200 -0.035 0.000 0.965 314 S CB -0.494 62.741 63.200 0.058 0.000 0.773 314 S HN 0.661 8.971 8.310 -0.000 0.000 0.504 315 A N 2.138 124.898 122.820 -0.100 0.000 2.067 315 A HA 0.046 4.368 4.320 0.003 0.000 0.219 315 A C 1.727 179.241 177.584 -0.117 0.000 1.158 315 A CA 1.199 53.181 52.037 -0.091 0.000 0.661 315 A CB -0.423 18.525 19.000 -0.086 0.000 0.801 315 A HN 0.543 8.693 8.150 -0.000 0.000 0.452 316 N N -0.524 118.084 118.700 -0.152 0.000 2.238 316 N HA 0.272 5.014 4.740 0.003 0.000 0.222 316 N C -0.669 174.741 175.510 -0.167 0.000 1.133 316 N CA 0.121 53.070 53.050 -0.169 0.000 0.854 316 N CB 0.421 38.801 38.487 -0.179 0.000 1.041 316 N HN 0.420 8.800 8.380 -0.000 0.000 0.510 317 I N 1.793 122.290 120.570 -0.121 0.000 2.359 317 I HA 0.263 4.435 4.170 0.003 0.000 0.284 317 I C -0.129 175.943 176.117 -0.075 0.000 1.018 317 I CA -0.478 60.773 61.300 -0.081 0.000 1.173 317 I CB 1.142 39.121 38.000 -0.034 0.000 1.326 317 I HN -0.289 7.921 8.210 -0.000 0.000 0.462 318 L N 6.560 127.730 121.223 -0.089 0.000 2.379 318 L HA 0.574 4.916 4.340 0.003 0.000 0.269 318 L C -0.414 176.398 176.870 -0.097 0.000 1.084 318 L CA -0.816 53.960 54.840 -0.106 0.000 0.802 318 L CB 1.267 43.242 42.059 -0.139 0.000 1.175 318 L HN 0.441 8.671 8.230 -0.000 0.000 0.448 319 L N 1.645 122.785 121.223 -0.137 0.000 2.356 319 L HA 0.350 4.692 4.340 0.003 0.000 0.277 319 L C -0.357 176.337 176.870 -0.293 0.000 0.996 319 L CA -0.818 53.925 54.840 -0.161 0.000 0.822 319 L CB 1.832 43.826 42.059 -0.108 0.000 1.256 319 L HN 0.641 8.871 8.230 -0.000 0.000 0.413 320 D N 1.157 121.399 120.400 -0.263 0.000 2.507 320 D HA 0.079 4.720 4.640 0.003 0.000 0.280 320 D C 0.562 176.636 176.300 -0.377 0.000 1.219 320 D CA -0.404 53.429 54.000 -0.278 0.000 1.085 320 D CB 0.593 41.296 40.800 -0.162 0.000 1.134 320 D HN 0.449 8.819 8.370 -0.000 0.000 0.583 321 E N -1.042 118.999 120.200 -0.266 0.000 2.482 321 E HA 0.205 4.557 4.350 0.003 0.000 0.196 321 E C 0.903 177.398 176.600 -0.175 0.000 1.047 321 E CA 0.879 57.129 56.400 -0.250 0.000 0.869 321 E CB -0.323 29.298 29.700 -0.132 0.000 0.836 321 E HN 0.460 8.820 8.360 -0.000 0.000 0.520 322 A N -0.122 122.632 122.820 -0.111 0.000 2.503 322 A HA 0.358 4.680 4.320 0.003 0.000 0.263 322 A C -0.140 177.556 177.584 0.187 0.000 1.258 322 A CA -0.581 51.485 52.037 0.048 0.000 0.936 322 A CB -0.598 18.430 19.000 0.048 0.000 1.070 322 A HN 0.215 8.365 8.150 -0.000 0.000 0.522 323 F N -0.562 119.360 119.950 -0.047 0.000 3.074 323 F HA -0.194 4.335 4.527 0.002 0.000 0.289 323 F C 0.575 176.341 175.800 -0.057 0.000 0.863 323 F CA 0.901 58.869 58.000 -0.053 0.000 1.121 323 F CB -2.525 36.447 39.000 -0.046 0.000 1.169 323 F HN 0.135 8.435 8.300 -0.000 0.000 0.570 324 T N 0.982 115.562 114.554 0.044 0.000 2.834 324 T HA 0.534 4.886 4.350 0.003 0.000 0.298 324 T C 0.657 175.356 174.700 -0.002 0.000 0.966 324 T CA 0.203 62.311 62.100 0.014 0.000 1.141 324 T CB 1.069 69.928 68.868 -0.015 0.000 0.905 324 T HN 0.517 8.757 8.240 -0.000 0.000 0.535 325 A N 4.879 127.705 122.820 0.011 0.000 2.454 325 A HA 0.377 4.699 4.320 0.003 0.000 0.260 325 A C 0.358 177.943 177.584 0.002 0.000 1.106 325 A CA -0.193 51.848 52.037 0.007 0.000 0.780 325 A CB 0.160 19.174 19.000 0.023 0.000 1.044 325 A HN 0.752 8.902 8.150 -0.000 0.000 0.498 326 K N 3.591 123.983 120.400 -0.014 0.000 2.426 326 K HA 0.420 4.742 4.320 0.003 0.000 0.254 326 K C -0.819 175.777 176.600 -0.007 0.000 0.936 326 K CA -0.724 55.566 56.287 0.005 0.000 0.801 326 K CB 1.852 34.352 32.500 -0.000 0.000 1.139 326 K HN 0.557 8.807 8.250 -0.000 0.000 0.424 327 I N 2.430 123.020 120.570 0.033 0.000 2.588 327 I HA 0.039 4.211 4.170 0.003 0.000 0.283 327 I C 1.003 177.099 176.117 -0.036 0.000 1.119 327 I CA 0.385 61.674 61.300 -0.018 0.000 1.419 327 I CB 0.509 38.533 38.000 0.040 0.000 1.394 327 I HN 0.744 8.954 8.210 -0.000 0.000 0.562 328 S N 3.380 118.906 115.700 -0.291 0.000 2.732 328 S HA 0.507 4.979 4.470 0.003 0.000 0.293 328 S C -0.624 173.562 174.600 -0.690 0.000 1.159 328 S CA -0.742 57.180 58.200 -0.464 0.000 0.847 328 S CB 2.279 65.302 63.200 -0.294 0.000 1.169 328 S HN 0.686 8.996 8.310 -0.000 0.000 0.501 329 D N -0.248 119.807 120.400 -0.574 0.000 3.437 329 D HA -0.144 4.497 4.640 0.003 0.000 0.243 329 D C -0.844 175.139 176.300 -0.528 0.000 1.104 329 D CA 0.351 54.148 54.000 -0.339 0.000 1.009 329 D CB -1.518 39.192 40.800 -0.150 0.000 0.937 329 D HN 0.529 8.899 8.370 -0.000 0.000 0.417 330 F N -0.252 119.635 119.950 -0.104 0.000 2.660 330 F HA 0.367 4.895 4.527 0.003 0.000 0.297 330 F C 2.284 177.974 175.800 -0.184 0.000 1.132 330 F CA 0.026 57.880 58.000 -0.245 0.000 1.372 330 F CB 0.488 39.389 39.000 -0.165 0.000 1.003 330 F HN 0.303 8.603 8.300 -0.000 0.000 0.524 331 G N 0.183 108.963 108.800 -0.033 0.000 2.509 331 G HA2 -0.100 3.862 3.960 0.003 0.000 0.218 331 G HA3 -0.100 3.862 3.960 0.003 0.000 0.218 331 G C 1.284 176.131 174.900 -0.089 0.000 1.124 331 G CA 0.634 45.704 45.100 -0.051 0.000 0.776 331 G HN 0.449 8.739 8.290 -0.000 0.000 0.547 332 L N 0.031 121.200 121.223 -0.089 0.000 2.858 332 L HA 0.423 4.765 4.340 0.003 0.000 0.251 332 L C 1.513 178.355 176.870 -0.046 0.000 1.149 332 L CA -0.491 54.309 54.840 -0.067 0.000 0.955 332 L CB 0.332 42.372 42.059 -0.031 0.000 1.289 332 L HN 0.142 8.372 8.230 -0.000 0.000 0.542 333 A N 1.047 123.829 122.820 -0.063 0.000 2.547 333 A HA 0.302 4.624 4.320 0.003 0.000 0.233 333 A C 0.142 177.755 177.584 0.048 0.000 1.067 333 A CA 0.487 52.522 52.037 -0.004 0.000 0.763 333 A CB 0.196 19.205 19.000 0.015 0.000 1.007 333 A HN 0.204 8.354 8.150 -0.000 0.000 0.506 334 R N 0.111 120.672 120.500 0.101 0.000 2.628 334 R HA 0.549 4.891 4.340 0.003 0.000 0.288 334 R C -0.218 176.169 176.300 0.145 0.000 0.980 334 R CA -0.201 55.955 56.100 0.093 0.000 0.891 334 R CB 1.738 32.062 30.300 0.039 0.000 1.188 334 R HN 0.957 9.227 8.270 -0.000 0.000 0.450 335 A N 2.025 124.914 122.820 0.115 0.000 2.520 335 A HA 0.249 4.571 4.320 0.003 0.000 0.245 335 A C 0.649 178.214 177.584 -0.032 0.000 1.072 335 A CA 0.167 52.214 52.037 0.018 0.000 0.761 335 A CB 0.018 19.008 19.000 -0.017 0.000 1.004 335 A HN 0.791 8.941 8.150 -0.000 0.000 0.499 336 S N 1.807 117.472 115.700 -0.057 0.000 2.745 336 S HA 0.824 5.295 4.470 0.003 0.000 0.292 336 S C -0.503 174.038 174.600 -0.099 0.000 1.127 336 S CA -0.348 57.807 58.200 -0.076 0.000 1.007 336 S CB 1.034 64.197 63.200 -0.062 0.000 1.165 336 S HN 0.862 9.172 8.310 -0.000 0.000 0.544 337 E N -0.816 119.317 120.200 -0.111 0.000 2.363 337 E HA 0.268 4.620 4.350 0.003 0.000 0.281 337 E C -1.577 174.986 176.600 -0.062 0.000 0.953 337 E CA -1.114 55.205 56.400 -0.135 0.000 0.778 337 E CB 0.944 30.552 29.700 -0.154 0.000 1.220 337 E HN 0.380 8.740 8.360 -0.000 0.000 0.431 338 K N 2.234 122.625 120.400 -0.014 0.000 2.161 338 K HA 0.006 4.327 4.320 0.003 0.000 0.260 338 K C -0.571 176.112 176.600 0.138 0.000 1.158 338 K CA 0.245 56.580 56.287 0.080 0.000 1.172 338 K CB -1.257 31.288 32.500 0.075 0.000 0.917 338 K HN 0.568 8.818 8.250 -0.000 0.000 0.410 339 F N 0.969 120.900 119.950 -0.031 0.000 2.305 339 F HA -0.361 4.168 4.527 0.003 0.000 0.161 339 F C 1.464 177.246 175.800 -0.031 0.000 1.027 339 F CA 0.838 58.820 58.000 -0.030 0.000 0.799 339 F CB -1.078 37.907 39.000 -0.025 0.000 0.735 339 F HN 0.639 8.939 8.300 -0.000 0.000 0.809 340 A N 2.269 125.063 122.820 -0.044 0.000 1.940 340 A HA -0.099 4.223 4.320 0.003 0.000 0.219 340 A C 1.003 178.585 177.584 -0.004 0.000 1.176 340 A CA 1.979 53.995 52.037 -0.035 0.000 0.631 340 A CB -0.103 18.849 19.000 -0.081 0.000 0.814 340 A HN 0.725 8.875 8.150 -0.000 0.000 0.446 341 Q N -1.817 117.972 119.800 -0.018 0.000 3.590 341 Q HA 0.024 4.365 4.340 0.003 0.000 0.138 341 Q C -1.217 174.780 176.000 -0.005 0.000 0.927 341 Q CA 0.148 55.984 55.803 0.054 0.000 1.367 341 Q CB -0.570 28.191 28.738 0.038 0.000 1.187 341 Q HN 0.370 8.640 8.270 -0.000 0.000 0.642 342 T N 0.302 114.868 114.554 0.021 0.000 0.766 342 T HA -0.144 4.208 4.350 0.003 0.000 0.748 342 T C -0.258 174.385 174.700 -0.095 0.000 0.989 342 T CA 0.944 63.041 62.100 -0.006 0.000 3.951 342 T CB -0.390 68.535 68.868 0.096 0.000 2.231 342 T HN 0.290 8.530 8.240 -0.000 0.000 0.384 343 V N 6.024 125.834 119.914 -0.173 0.000 2.417 343 V HA 0.641 4.763 4.120 0.003 0.000 0.291 343 V C 0.425 176.466 176.094 -0.088 0.000 1.024 343 V CA -0.837 61.375 62.300 -0.146 0.000 0.861 343 V CB 1.798 33.493 31.823 -0.215 0.000 0.985 343 V HN 0.738 8.928 8.190 -0.000 0.000 0.436 348 I N 5.260 125.843 120.570 0.021 0.000 2.379 348 I HA 0.187 4.359 4.170 0.003 0.000 0.290 348 I C 0.666 176.809 176.117 0.043 0.000 1.063 348 I CA -0.417 60.899 61.300 0.028 0.000 1.351 348 I CB 0.952 38.967 38.000 0.024 0.000 1.410 348 I HN 0.216 8.426 8.210 -0.000 0.000 0.505 349 V N 3.394 123.339 119.914 0.051 0.000 2.815 349 V HA 1.114 5.236 4.120 0.003 0.000 0.314 349 V C 0.134 176.279 176.094 0.085 0.000 1.064 349 V CA -0.136 62.209 62.300 0.076 0.000 0.952 349 V CB 1.355 33.223 31.823 0.076 0.000 1.020 349 V HN 1.002 9.192 8.190 -0.000 0.000 0.439 350 G N 1.665 110.528 108.800 0.106 0.000 2.340 350 G HA2 0.347 4.309 3.960 0.003 0.000 0.282 350 G HA3 0.347 4.309 3.960 0.003 0.000 0.282 350 G C -0.698 174.266 174.900 0.107 0.000 1.312 350 G CA -0.214 44.952 45.100 0.110 0.000 0.942 350 G HN 1.139 9.429 8.290 -0.000 0.000 0.495 351 T N 1.307 115.936 114.554 0.124 0.000 2.772 351 T HA 0.524 4.875 4.350 0.003 0.000 0.288 351 T C 1.621 176.438 174.700 0.196 0.000 0.994 351 T CA 0.372 62.563 62.100 0.152 0.000 0.951 351 T CB 1.360 70.334 68.868 0.178 0.000 0.933 351 T HN 0.702 8.942 8.240 -0.000 0.000 0.447 352 T N 2.974 117.603 114.554 0.125 0.000 2.620 352 T HA -0.249 4.103 4.350 0.003 0.000 0.267 352 T C 2.393 177.145 174.700 0.087 0.000 1.044 352 T CA 1.724 63.877 62.100 0.088 0.000 1.161 352 T CB -0.436 68.461 68.868 0.047 0.000 0.862 352 T HN 0.746 8.986 8.240 -0.000 0.000 0.438 353 A N 0.169 123.022 122.820 0.056 0.000 2.076 353 A HA -0.082 4.240 4.320 0.003 0.000 0.220 353 A C 1.687 179.173 177.584 -0.164 0.000 1.160 353 A CA 1.285 53.272 52.037 -0.083 0.000 0.653 353 A CB -0.842 18.040 19.000 -0.196 0.000 0.801 353 A HN 0.731 8.881 8.150 -0.000 0.000 0.455 354 Y N -1.582 118.767 120.300 0.083 0.000 2.458 354 Y HA 0.393 4.944 4.550 0.002 0.000 0.256 354 Y C 0.747 176.769 175.900 0.204 0.000 1.159 354 Y CA -0.363 57.814 58.100 0.129 0.000 1.261 354 Y CB 0.000 38.517 38.460 0.095 0.000 1.119 354 Y HN 0.129 8.409 8.280 -0.000 0.000 0.524 355 M N 0.671 120.428 119.600 0.261 0.000 2.216 355 M HA 0.464 4.946 4.480 0.003 0.000 0.356 355 M C 0.401 176.642 176.300 -0.098 0.000 1.205 355 M CA -0.589 54.792 55.300 0.136 0.000 1.122 355 M CB 1.005 33.652 32.600 0.079 0.000 1.571 355 M HN 0.157 8.447 8.290 -0.000 0.000 0.464 356 A N 4.623 127.253 122.820 -0.318 0.000 2.425 356 A HA 0.330 4.652 4.320 0.003 0.000 0.242 356 A C -1.699 175.637 177.584 -0.415 0.000 1.077 356 A CA -1.159 50.347 52.037 -0.885 0.000 0.781 356 A CB -0.407 18.290 19.000 -0.505 0.000 1.020 356 A HN 0.659 8.809 8.150 -0.000 0.000 0.494 357 P HA -0.155 4.265 4.420 -0.000 0.000 0.217 357 P C 1.161 178.404 177.300 -0.094 0.000 1.151 357 P CA 1.395 64.396 63.100 -0.165 0.000 0.828 357 P CB 0.022 31.654 31.700 -0.113 0.000 0.788 358 E N 1.177 121.326 120.200 -0.084 0.000 2.153 358 E HA -0.172 4.180 4.350 0.003 0.000 0.194 358 E C 1.865 178.454 176.600 -0.019 0.000 0.988 358 E CA 1.705 58.088 56.400 -0.029 0.000 0.811 358 E CB -1.228 28.473 29.700 0.002 0.000 0.746 358 E HN 0.161 8.521 8.360 -0.000 0.000 0.466 359 A N 1.505 124.305 122.820 -0.034 0.000 1.969 359 A HA -0.005 4.316 4.320 0.003 0.000 0.218 359 A C 2.410 179.991 177.584 -0.004 0.000 1.169 359 A CA 0.969 53.003 52.037 -0.006 0.000 0.635 359 A CB -0.622 18.384 19.000 0.011 0.000 0.810 359 A HN 0.265 8.415 8.150 -0.000 0.000 0.445 360 L N -1.341 119.868 121.223 -0.023 0.000 2.552 360 L HA 0.014 4.356 4.340 0.003 0.000 0.227 360 L C 2.273 179.142 176.870 -0.003 0.000 1.146 360 L CA 0.560 55.395 54.840 -0.008 0.000 0.858 360 L CB -0.113 41.936 42.059 -0.017 0.000 0.969 360 L HN 0.299 8.529 8.230 -0.000 0.000 0.451 361 R N -0.861 119.635 120.500 -0.006 0.000 2.437 361 R HA 0.246 4.587 4.340 0.003 0.000 0.257 361 R C 1.062 177.363 176.300 0.002 0.000 0.927 361 R CA 0.585 56.684 56.100 -0.001 0.000 1.078 361 R CB 0.889 31.188 30.300 -0.003 0.000 1.161 361 R HN 0.283 8.553 8.270 -0.000 0.000 0.529 362 G N 1.601 110.403 108.800 0.004 0.000 2.175 362 G HA2 -0.244 3.718 3.960 0.003 0.000 0.182 362 G HA3 -0.244 3.718 3.960 0.003 0.000 0.182 362 G C -0.199 174.700 174.900 -0.000 0.000 1.003 362 G CA -0.296 44.806 45.100 0.003 0.000 0.666 362 G HN 0.338 8.628 8.290 -0.000 0.000 0.506 363 E N 0.405 120.607 120.200 0.004 0.000 2.354 363 E HA 0.528 4.880 4.350 0.003 0.000 0.269 363 E C 0.229 176.826 176.600 -0.004 0.000 1.036 363 E CA -0.518 55.883 56.400 0.001 0.000 0.876 363 E CB 0.361 30.078 29.700 0.028 0.000 1.009 363 E HN 0.290 8.650 8.360 -0.000 0.000 0.416 364 I N 4.184 124.731 120.570 -0.038 0.000 2.354 364 I HA 0.247 4.419 4.170 0.003 0.000 0.286 364 I C -0.203 175.856 176.117 -0.097 0.000 1.007 364 I CA -0.389 60.884 61.300 -0.046 0.000 1.167 364 I CB 1.561 39.527 38.000 -0.057 0.000 1.320 364 I HN 0.447 8.657 8.210 -0.000 0.000 0.458 365 T N 6.638 121.180 114.554 -0.020 0.000 2.982 365 T HA 0.378 4.730 4.350 0.003 0.000 0.321 365 T C -2.185 172.555 174.700 0.067 0.000 1.229 365 T CA -1.435 60.677 62.100 0.021 0.000 1.044 365 T CB 2.214 71.236 68.868 0.257 0.000 1.184 365 T HN 0.308 8.548 8.240 -0.000 0.000 0.477 366 P HA -0.045 4.375 4.420 -0.000 0.000 0.223 366 P C 0.876 178.218 177.300 0.069 0.000 1.144 366 P CA 0.899 63.917 63.100 -0.137 0.000 0.783 366 P CB 0.206 31.641 31.700 -0.443 0.000 0.771 367 K N -0.187 120.300 120.400 0.146 0.000 2.211 367 K HA -0.005 4.316 4.320 0.003 0.000 0.203 367 K C 2.261 178.975 176.600 0.190 0.000 1.050 367 K CA 1.109 57.492 56.287 0.160 0.000 0.945 367 K CB -0.189 32.388 32.500 0.129 0.000 0.732 367 K HN 0.106 8.356 8.250 -0.000 0.000 0.451 368 S N 1.203 117.008 115.700 0.176 0.000 2.414 368 S HA -0.095 4.377 4.470 0.003 0.000 0.227 368 S C 1.183 175.930 174.600 0.244 0.000 1.022 368 S CA 1.014 59.321 58.200 0.179 0.000 0.958 368 S CB -0.145 63.126 63.200 0.117 0.000 0.797 368 S HN 0.259 8.569 8.310 -0.000 0.000 0.493 369 D N 1.909 122.460 120.400 0.251 0.000 2.116 369 D HA -0.090 4.552 4.640 0.003 0.000 0.193 369 D C 1.825 178.286 176.300 0.268 0.000 0.998 369 D CA 0.852 55.014 54.000 0.271 0.000 0.836 369 D CB -0.288 40.732 40.800 0.367 0.000 0.951 369 D HN 0.232 8.602 8.370 -0.000 0.000 0.449 370 I N 0.137 120.876 120.570 0.282 0.000 2.264 370 I HA -0.266 3.906 4.170 0.003 0.000 0.248 370 I C 2.282 178.568 176.117 0.281 0.000 1.111 370 I CA 0.956 62.411 61.300 0.259 0.000 1.382 370 I CB -1.180 36.952 38.000 0.221 0.000 1.060 370 I HN 0.105 8.315 8.210 -0.000 0.000 0.418 371 Y N 1.739 122.136 120.300 0.162 0.000 2.163 371 Y HA -0.229 4.322 4.550 0.003 0.000 0.288 371 Y C 2.865 178.854 175.900 0.149 0.000 1.136 371 Y CA 2.030 60.210 58.100 0.133 0.000 1.147 371 Y CB -0.096 38.433 38.460 0.115 0.000 0.987 371 Y HN 0.047 8.327 8.280 -0.000 0.000 0.509 372 S N 0.332 116.280 115.700 0.413 0.000 2.370 372 S HA -0.243 4.229 4.470 0.003 0.000 0.226 372 S C 1.802 176.560 174.600 0.265 0.000 1.033 372 S CA 1.494 59.906 58.200 0.352 0.000 1.011 372 S CB -0.916 62.465 63.200 0.300 0.000 0.852 372 S HN 0.600 8.910 8.310 -0.000 0.000 0.457 373 F N 2.251 122.243 119.950 0.070 0.000 2.154 373 F HA -0.155 4.373 4.527 0.003 0.000 0.301 373 F C 2.344 178.136 175.800 -0.013 0.000 1.087 373 F CA 1.179 59.188 58.000 0.014 0.000 1.274 373 F CB -0.571 38.424 39.000 -0.008 0.000 1.009 373 F HN 0.302 8.602 8.300 -0.000 0.000 0.485 374 G N -0.585 108.166 108.800 -0.080 0.000 2.422 374 G HA2 -0.213 3.749 3.960 0.003 0.000 0.218 374 G HA3 -0.213 3.749 3.960 0.003 0.000 0.218 374 G C 1.643 176.394 174.900 -0.247 0.000 1.146 374 G CA 1.033 45.991 45.100 -0.236 0.000 0.769 374 G HN 0.321 8.611 8.290 -0.000 0.000 0.547 375 V N 0.562 120.374 119.914 -0.170 0.000 2.343 375 V HA -0.169 3.953 4.120 0.003 0.000 0.247 375 V C 3.005 179.054 176.094 -0.074 0.000 1.051 375 V CA 1.412 63.640 62.300 -0.120 0.000 1.036 375 V CB -0.418 31.373 31.823 -0.052 0.000 0.654 375 V HN 0.247 8.437 8.190 -0.000 0.000 0.451 376 V N -0.005 119.885 119.914 -0.039 0.000 2.332 376 V HA -0.284 3.837 4.120 0.003 0.000 0.248 376 V C 2.342 178.305 176.094 -0.219 0.000 1.055 376 V CA 2.100 64.352 62.300 -0.081 0.000 1.038 376 V CB -0.591 31.155 31.823 -0.128 0.000 0.651 376 V HN 0.459 8.649 8.190 -0.000 0.000 0.450 377 L N -0.807 120.177 121.223 -0.398 0.000 2.079 377 L HA -0.211 4.130 4.340 0.003 0.000 0.210 377 L C 2.387 179.193 176.870 -0.106 0.000 1.081 377 L CA 1.507 56.168 54.840 -0.299 0.000 0.752 377 L CB -0.583 41.258 42.059 -0.362 0.000 0.896 377 L HN 0.315 8.545 8.230 -0.000 0.000 0.433 378 L N -0.669 120.495 121.223 -0.098 0.000 2.093 378 L HA -0.169 4.172 4.340 0.003 0.000 0.208 378 L C 2.513 179.372 176.870 -0.019 0.000 1.085 378 L CA 1.120 55.941 54.840 -0.031 0.000 0.755 378 L CB -0.525 41.493 42.059 -0.068 0.000 0.904 378 L HN 0.283 8.513 8.230 -0.000 0.000 0.435 379 E N 0.511 120.691 120.200 -0.033 0.000 2.085 379 E HA -0.236 4.116 4.350 0.003 0.000 0.194 379 E C 2.266 178.883 176.600 0.027 0.000 0.994 379 E CA 1.286 57.686 56.400 -0.000 0.000 0.801 379 E CB -0.151 29.563 29.700 0.024 0.000 0.743 379 E HN 0.476 8.836 8.360 -0.000 0.000 0.453 380 I N 0.981 121.560 120.570 0.017 0.000 2.163 380 I HA -0.301 3.870 4.170 0.003 0.000 0.243 380 I C 2.367 178.587 176.117 0.171 0.000 1.085 380 I CA 1.163 62.496 61.300 0.056 0.000 1.347 380 I CB -0.252 37.743 38.000 -0.007 0.000 1.044 380 I HN 0.107 8.317 8.210 -0.000 0.000 0.408 381 I N 0.379 121.063 120.570 0.190 0.000 2.163 381 I HA -0.298 3.874 4.170 0.003 0.000 0.243 381 I C 2.558 178.744 176.117 0.114 0.000 1.085 381 I CA 2.192 63.618 61.300 0.209 0.000 1.347 381 I CB -0.603 37.490 38.000 0.154 0.000 1.044 381 I HN 0.414 8.624 8.210 -0.000 0.000 0.408 382 T N -2.938 111.666 114.554 0.083 0.000 3.015 382 T HA 0.292 4.643 4.350 0.003 0.000 0.250 382 T C 1.621 176.363 174.700 0.070 0.000 1.057 382 T CA 0.477 62.622 62.100 0.075 0.000 1.066 382 T CB 0.610 69.515 68.868 0.061 0.000 0.959 382 T HN 0.505 8.745 8.240 -0.000 0.000 0.488 383 G N 1.507 110.346 108.800 0.065 0.000 2.155 383 G HA2 -0.211 3.751 3.960 0.003 0.000 0.257 383 G HA3 -0.211 3.751 3.960 0.003 0.000 0.257 383 G C -0.085 174.840 174.900 0.042 0.000 0.983 383 G CA 0.425 45.558 45.100 0.054 0.000 0.676 383 G HN 0.642 8.932 8.290 -0.000 0.000 0.528 384 L N 1.451 122.693 121.223 0.032 0.000 2.322 384 L HA 0.496 4.838 4.340 0.003 0.000 0.279 384 L C -1.565 175.305 176.870 0.001 0.000 1.036 384 L CA -2.378 52.474 54.840 0.020 0.000 0.807 384 L CB 1.521 43.591 42.059 0.018 0.000 1.226 384 L HN -0.080 8.150 8.230 -0.000 0.000 0.433 385 P HA 0.078 4.498 4.420 -0.000 0.000 0.274 385 P C 0.118 177.375 177.300 -0.071 0.000 1.231 385 P CA -0.338 62.757 63.100 -0.009 0.000 0.790 385 P CB 1.051 32.756 31.700 0.008 0.000 0.951 386 A N 2.297 125.031 122.820 -0.143 0.000 1.940 386 A HA -0.064 4.258 4.320 0.003 0.000 0.219 386 A C 1.051 178.503 177.584 -0.220 0.000 1.176 386 A CA 1.735 53.580 52.037 -0.319 0.000 0.631 386 A CB -0.670 17.827 19.000 -0.838 0.000 0.814 386 A HN 0.464 8.614 8.150 -0.000 0.000 0.446 387 V N -0.003 119.830 119.914 -0.136 0.000 2.709 387 V HA 0.599 4.721 4.120 0.003 0.000 0.308 387 V C -2.217 173.844 176.094 -0.054 0.000 1.062 387 V CA -0.761 61.485 62.300 -0.090 0.000 0.901 387 V CB 2.045 33.821 31.823 -0.078 0.000 1.003 387 V HN 0.346 8.536 8.190 -0.000 0.000 0.425 388 D N 3.566 123.937 120.400 -0.049 0.000 2.479 388 D HA 0.261 4.903 4.640 0.003 0.000 0.246 388 D C 0.816 177.077 176.300 -0.064 0.000 1.336 388 D CA 0.072 54.050 54.000 -0.036 0.000 0.967 388 D CB 2.119 42.918 40.800 -0.002 0.000 1.275 388 D HN 0.802 9.172 8.370 -0.000 0.000 0.577 389 E N 2.387 122.504 120.200 -0.139 0.000 2.153 389 E HA -0.210 4.142 4.350 0.003 0.000 0.194 389 E C 0.332 176.777 176.600 -0.258 0.000 0.988 389 E CA 1.056 57.319 56.400 -0.229 0.000 0.811 389 E CB -0.110 29.392 29.700 -0.330 0.000 0.746 389 E HN 0.417 8.777 8.360 -0.000 0.000 0.466 390 H N 0.479 119.549 119.070 0.001 0.000 2.538 390 H HA 0.290 4.848 4.556 0.003 0.000 0.286 390 H C 0.050 175.381 175.328 0.005 0.000 1.035 390 H CA 0.117 56.166 56.048 0.003 0.000 1.169 390 H CB -0.079 29.684 29.762 0.003 0.000 1.417 390 H HN 0.142 8.422 8.280 -0.000 0.000 0.567 391 R N 1.147 121.691 120.500 0.073 0.000 2.832 391 R HA 0.295 4.637 4.340 0.003 0.000 0.271 391 R C -0.974 175.349 176.300 0.038 0.000 0.996 391 R CA -0.669 55.464 56.100 0.056 0.000 0.977 391 R CB 1.672 31.997 30.300 0.042 0.000 1.168 391 R HN 0.016 8.286 8.270 -0.000 0.000 0.482 392 E N 3.098 123.323 120.200 0.042 0.000 2.220 392 E HA 0.392 4.743 4.350 0.003 0.000 0.256 392 E C -2.481 174.151 176.600 0.052 0.000 0.881 392 E CA -2.221 54.200 56.400 0.036 0.000 0.766 392 E CB 1.381 31.102 29.700 0.034 0.000 1.187 392 E HN 0.388 8.748 8.360 -0.000 0.000 0.419 393 P HA 0.206 4.626 4.420 -0.000 0.000 0.278 393 P C 0.208 177.502 177.300 -0.010 0.000 1.238 393 P CA -0.328 62.776 63.100 0.007 0.000 0.794 393 P CB 0.996 32.689 31.700 -0.011 0.000 0.955 394 Q N 0.381 120.170 119.800 -0.018 0.000 2.119 394 Q HA -0.015 4.326 4.340 0.003 0.000 0.201 394 Q C 0.231 176.200 176.000 -0.051 0.000 0.972 394 Q CA 0.984 56.767 55.803 -0.032 0.000 0.847 394 Q CB -0.113 28.602 28.738 -0.037 0.000 0.903 394 Q HN 0.454 8.724 8.270 -0.000 0.000 0.433 395 L N 1.279 122.467 121.223 -0.057 0.000 2.282 395 L HA 0.083 4.425 4.340 0.003 0.000 0.288 395 L C 0.919 177.727 176.870 -0.103 0.000 1.033 395 L CA -0.467 54.323 54.840 -0.083 0.000 0.807 395 L CB 1.118 43.138 42.059 -0.064 0.000 1.209 395 L HN 0.074 8.303 8.230 -0.000 0.000 0.423 396 L N 3.234 124.374 121.223 -0.139 0.000 2.042 396 L HA -0.199 4.142 4.340 0.003 0.000 0.210 396 L C 2.053 178.826 176.870 -0.163 0.000 1.076 396 L CA 1.575 56.315 54.840 -0.167 0.000 0.749 396 L CB -0.442 41.511 42.059 -0.177 0.000 0.893 396 L HN 0.586 8.816 8.230 -0.000 0.000 0.432 397 L N -0.135 121.007 121.223 -0.135 0.000 2.119 397 L HA -0.373 3.968 4.340 0.003 0.000 0.226 397 L C 2.131 178.955 176.870 -0.077 0.000 1.093 397 L CA 2.109 56.894 54.840 -0.091 0.000 0.806 397 L CB -1.451 40.590 42.059 -0.030 0.000 0.902 397 L HN 0.400 8.630 8.230 -0.000 0.000 0.444 398 D N -1.434 118.921 120.400 -0.076 0.000 2.309 398 D HA -0.129 4.513 4.640 0.003 0.000 0.212 398 D C 2.232 178.484 176.300 -0.080 0.000 0.968 398 D CA 0.595 54.560 54.000 -0.057 0.000 0.882 398 D CB 0.002 40.776 40.800 -0.044 0.000 0.918 398 D HN 0.323 8.693 8.370 -0.000 0.000 0.503 399 I N 0.864 121.340 120.570 -0.156 0.000 2.315 399 I HA -0.193 3.978 4.170 0.003 0.000 0.248 399 I C 2.258 178.317 176.117 -0.096 0.000 1.117 399 I CA 0.984 62.138 61.300 -0.244 0.000 1.404 399 I CB -0.060 37.606 38.000 -0.556 0.000 1.071 399 I HN -0.126 8.084 8.210 -0.000 0.000 0.419 400 K N 0.390 120.772 120.400 -0.031 0.000 2.113 400 K HA -0.269 4.053 4.320 0.003 0.000 0.208 400 K C 1.882 178.505 176.600 0.039 0.000 1.047 400 K CA 1.780 58.102 56.287 0.059 0.000 0.928 400 K CB 0.041 32.536 32.500 -0.008 0.000 0.716 400 K HN 0.186 8.436 8.250 -0.000 0.000 0.446 401 E N 0.605 120.807 120.200 0.004 0.000 2.112 401 E HA -0.088 4.264 4.350 0.003 0.000 0.190 401 E C 1.662 178.272 176.600 0.017 0.000 0.979 401 E CA 1.066 57.471 56.400 0.008 0.000 0.814 401 E CB 0.142 29.843 29.700 0.002 0.000 0.762 401 E HN 0.355 8.715 8.360 -0.000 0.000 0.460 402 E N -0.034 120.177 120.200 0.018 0.000 2.118 402 E HA -0.170 4.181 4.350 0.003 0.000 0.195 402 E C 1.909 178.537 176.600 0.047 0.000 0.992 402 E CA 0.954 57.380 56.400 0.042 0.000 0.804 402 E CB -0.059 29.690 29.700 0.081 0.000 0.741 402 E HN 0.278 8.638 8.360 -0.000 0.000 0.458 403 I N 0.567 121.164 120.570 0.044 0.000 2.277 403 I HA -0.188 3.984 4.170 0.003 0.000 0.243 403 I C 2.479 178.618 176.117 0.037 0.000 1.094 403 I CA 0.858 62.175 61.300 0.029 0.000 1.393 403 I CB -0.084 37.909 38.000 -0.013 0.000 1.078 403 I HN 0.059 8.269 8.210 -0.000 0.000 0.417 404 E N 0.737 120.970 120.200 0.056 0.000 2.153 404 E HA -0.237 4.114 4.350 0.003 0.000 0.194 404 E C 0.625 177.239 176.600 0.023 0.000 0.988 404 E CA 1.107 57.533 56.400 0.043 0.000 0.811 404 E CB 0.118 29.838 29.700 0.032 0.000 0.746 404 E HN 0.407 8.767 8.360 -0.000 0.000 0.466 405 D N 0.182 120.594 120.400 0.020 0.000 2.325 405 D HA -0.002 4.639 4.640 0.003 0.000 0.234 405 D C -0.023 176.284 176.300 0.012 0.000 1.122 405 D CA 0.193 54.202 54.000 0.014 0.000 0.850 405 D CB 0.153 40.961 40.800 0.013 0.000 0.921 405 D HN 0.109 8.479 8.370 -0.000 0.000 0.513 406 E N -0.376 119.831 120.200 0.012 0.000 3.065 406 E HA -0.278 4.074 4.350 0.003 0.000 0.277 406 E C 0.723 177.324 176.600 0.003 0.000 1.008 406 E CA 0.818 57.221 56.400 0.004 0.000 0.864 406 E CB -1.002 28.699 29.700 0.000 0.000 1.439 406 E HN 0.445 8.805 8.360 -0.000 0.000 0.445 407 E N -0.363 119.844 120.200 0.012 0.000 2.274 407 E HA -0.034 4.317 4.350 0.003 0.000 0.194 407 E C 0.514 177.121 176.600 0.011 0.000 0.996 407 E CA 0.773 57.180 56.400 0.012 0.000 0.840 407 E CB 0.279 29.993 29.700 0.023 0.000 0.772 407 E HN -0.021 8.339 8.360 -0.000 0.000 0.491 408 K N 0.126 120.540 120.400 0.024 0.000 2.533 408 K HA 0.304 4.626 4.320 0.003 0.000 0.272 408 K C -0.511 176.089 176.600 -0.000 0.000 0.985 408 K CA -0.492 55.806 56.287 0.018 0.000 0.876 408 K CB 1.822 34.399 32.500 0.128 0.000 1.452 408 K HN -0.000 8.250 8.250 -0.000 0.000 0.439 409 T N -2.035 112.496 114.554 -0.038 0.000 2.940 409 T HA 0.373 4.725 4.350 0.003 0.000 0.288 409 T C 1.244 175.900 174.700 -0.073 0.000 1.033 409 T CA -0.724 61.334 62.100 -0.070 0.000 1.033 409 T CB 1.266 70.081 68.868 -0.088 0.000 1.079 409 T HN 0.416 8.656 8.240 -0.000 0.000 0.496 410 I N 0.558 121.019 120.570 -0.182 0.000 2.394 410 I HA -0.037 4.135 4.170 0.003 0.000 0.251 410 I C 2.399 178.438 176.117 -0.130 0.000 1.136 410 I CA 1.419 62.577 61.300 -0.235 0.000 1.425 410 I CB -0.533 37.136 38.000 -0.552 0.000 1.079 410 I HN 0.946 9.156 8.210 -0.000 0.000 0.425 411 E N 0.254 120.372 120.200 -0.138 0.000 2.171 411 E HA -0.269 4.083 4.350 0.003 0.000 0.197 411 E C 1.434 177.952 176.600 -0.137 0.000 0.997 411 E CA 1.497 57.819 56.400 -0.129 0.000 0.810 411 E CB -0.101 29.527 29.700 -0.119 0.000 0.738 411 E HN 0.562 8.922 8.360 -0.000 0.000 0.467 412 D N -0.803 119.494 120.400 -0.172 0.000 2.310 412 D HA -0.149 4.492 4.640 0.003 0.000 0.212 412 D C 0.986 177.048 176.300 -0.395 0.000 0.965 412 D CA 0.962 54.784 54.000 -0.296 0.000 0.879 412 D CB 0.040 40.589 40.800 -0.418 0.000 0.921 412 D HN 0.366 8.736 8.370 -0.000 0.000 0.510 413 Y N 0.389 120.624 120.300 -0.108 0.000 2.462 413 Y HA 0.248 4.800 4.550 0.002 0.000 0.253 413 Y C 1.151 176.999 175.900 -0.087 0.000 1.095 413 Y CA -0.570 57.474 58.100 -0.092 0.000 1.283 413 Y CB 0.392 38.793 38.460 -0.099 0.000 1.138 413 Y HN -0.191 8.089 8.280 -0.000 0.000 0.522 414 I N 1.594 122.167 120.570 0.003 0.000 2.919 414 I HA -0.167 4.005 4.170 0.003 0.000 0.303 414 I C 0.523 176.628 176.117 -0.021 0.000 1.221 414 I CA 0.366 61.637 61.300 -0.048 0.000 1.444 414 I CB 0.156 38.073 38.000 -0.138 0.000 1.331 414 I HN 0.095 8.305 8.210 -0.000 0.000 0.572 415 D N 6.602 127.006 120.400 0.006 0.000 2.520 415 D HA -0.057 4.585 4.640 0.003 0.000 0.243 415 D C 0.899 177.196 176.300 -0.005 0.000 1.160 415 D CA 0.459 54.473 54.000 0.023 0.000 0.877 415 D CB 0.771 41.605 40.800 0.057 0.000 1.150 415 D HN 0.428 8.798 8.370 -0.000 0.000 0.494 416 K N 2.416 122.810 120.400 -0.009 0.000 2.366 416 K HA -0.038 4.284 4.320 0.003 0.000 0.198 416 K C 0.775 177.372 176.600 -0.006 0.000 1.044 416 K CA 0.507 56.782 56.287 -0.020 0.000 0.973 416 K CB 0.266 32.750 32.500 -0.026 0.000 0.767 416 K HN 0.300 8.550 8.250 -0.000 0.000 0.475 417 K N 1.390 121.796 120.400 0.009 0.000 3.225 417 K HA 0.139 4.461 4.320 0.003 0.000 0.282 417 K C -0.204 176.411 176.600 0.026 0.000 1.060 417 K CA 0.350 56.646 56.287 0.016 0.000 1.186 417 K CB -0.231 32.281 32.500 0.020 0.000 1.214 417 K HN 0.095 8.345 8.250 -0.000 0.000 0.428 418 M N 0.492 120.106 119.600 0.023 0.000 2.470 418 M HA 0.157 4.639 4.480 0.003 0.000 0.285 418 M C 0.227 176.540 176.300 0.022 0.000 1.213 418 M CA -0.622 54.703 55.300 0.043 0.000 0.901 418 M CB 1.928 34.576 32.600 0.079 0.000 1.718 418 M HN 0.132 8.422 8.290 -0.000 0.000 0.469 419 N N 0.128 118.846 118.700 0.031 0.000 2.197 419 N HA -0.010 4.731 4.740 0.003 0.000 0.201 419 N C -0.217 175.306 175.510 0.022 0.000 1.148 419 N CA 0.096 53.155 53.050 0.015 0.000 0.883 419 N CB 0.605 39.098 38.487 0.011 0.000 1.012 419 N HN 0.755 9.135 8.380 -0.000 0.000 0.507 420 D N 0.589 121.026 120.400 0.062 0.000 2.501 420 D HA 0.193 4.834 4.640 0.003 0.000 0.224 420 D C 0.112 176.475 176.300 0.105 0.000 1.202 420 D CA -0.474 53.583 54.000 0.095 0.000 0.829 420 D CB 0.123 41.008 40.800 0.142 0.000 1.023 420 D HN 0.230 8.600 8.370 -0.000 0.000 0.499 421 A N 1.474 124.264 122.820 -0.049 0.000 2.425 421 A HA 0.402 4.724 4.320 0.003 0.000 0.249 421 A C 0.249 177.647 177.584 -0.309 0.000 1.084 421 A CA -0.365 51.411 52.037 -0.434 0.000 0.781 421 A CB 0.376 19.009 19.000 -0.611 0.000 1.019 421 A HN 0.383 8.533 8.150 -0.000 0.000 0.490 422 D N 1.483 121.689 120.400 -0.323 0.000 2.269 422 D HA 0.299 4.941 4.640 0.003 0.000 0.244 422 D C 0.377 176.557 176.300 -0.200 0.000 0.992 422 D CA -0.376 53.527 54.000 -0.161 0.000 0.894 422 D CB 1.562 42.346 40.800 -0.026 0.000 1.248 422 D HN 0.241 8.611 8.370 -0.000 0.000 0.468 423 S N 0.683 116.303 115.700 -0.132 0.000 2.382 423 S HA -0.130 4.342 4.470 0.003 0.000 0.228 423 S C 1.832 176.394 174.600 -0.063 0.000 1.027 423 S CA 1.512 59.642 58.200 -0.117 0.000 0.991 423 S CB -0.219 62.930 63.200 -0.086 0.000 0.823 423 S HN 0.641 8.951 8.310 -0.000 0.000 0.469 424 T N 2.273 116.816 114.554 -0.018 0.000 2.708 424 T HA -0.111 4.240 4.350 0.003 0.000 0.266 424 T C 2.381 177.125 174.700 0.074 0.000 1.037 424 T CA 1.629 63.746 62.100 0.028 0.000 1.146 424 T CB -0.516 68.376 68.868 0.039 0.000 0.865 424 T HN 0.656 8.896 8.240 -0.000 0.000 0.435 425 S N 1.220 116.993 115.700 0.123 0.000 2.383 425 S HA -0.056 4.416 4.470 0.003 0.000 0.227 425 S C 2.193 176.979 174.600 0.309 0.000 1.026 425 S CA 0.783 59.145 58.200 0.270 0.000 0.981 425 S CB -0.929 62.564 63.200 0.490 0.000 0.818 425 S HN 0.269 8.579 8.310 -0.000 0.000 0.472 426 V N 2.428 122.367 119.914 0.042 0.000 2.343 426 V HA -0.151 3.971 4.120 0.003 0.000 0.247 426 V C 2.745 178.880 176.094 0.068 0.000 1.051 426 V CA 2.161 64.398 62.300 -0.105 0.000 1.036 426 V CB -0.802 30.742 31.823 -0.465 0.000 0.654 426 V HN 0.553 8.743 8.190 -0.000 0.000 0.451 427 E N -0.040 120.189 120.200 0.047 0.000 2.150 427 E HA -0.146 4.206 4.350 0.003 0.000 0.193 427 E C 2.264 178.952 176.600 0.146 0.000 0.985 427 E CA 1.155 57.615 56.400 0.100 0.000 0.814 427 E CB -0.272 29.458 29.700 0.049 0.000 0.752 427 E HN 0.612 8.972 8.360 -0.000 0.000 0.466 428 A N 0.997 123.897 122.820 0.133 0.000 1.929 428 A HA -0.134 4.187 4.320 0.003 0.000 0.216 428 A C 2.077 179.740 177.584 0.132 0.000 1.176 428 A CA 1.010 53.120 52.037 0.122 0.000 0.628 428 A CB -0.341 18.729 19.000 0.117 0.000 0.816 428 A HN 0.209 8.359 8.150 -0.000 0.000 0.444 429 M N -2.067 117.649 119.600 0.194 0.000 2.132 429 M HA -0.109 4.373 4.480 0.003 0.000 0.263 429 M C 2.093 178.470 176.300 0.128 0.000 1.065 429 M CA 1.806 57.213 55.300 0.178 0.000 1.122 429 M CB -0.242 32.541 32.600 0.305 0.000 1.365 429 M HN 0.551 8.841 8.290 -0.000 0.000 0.411 430 Y N -0.006 120.327 120.300 0.054 0.000 2.224 430 Y HA -0.238 4.314 4.550 0.003 0.000 0.289 430 Y C 2.685 178.584 175.900 -0.002 0.000 1.146 430 Y CA 2.049 60.154 58.100 0.009 0.000 1.182 430 Y CB -0.492 37.965 38.460 -0.004 0.000 0.983 430 Y HN 0.362 8.642 8.280 -0.000 0.000 0.524 431 S N -1.032 114.644 115.700 -0.039 0.000 2.402 431 S HA -0.140 4.332 4.470 0.003 0.000 0.229 431 S C 2.012 176.545 174.600 -0.112 0.000 1.021 431 S CA 1.359 59.502 58.200 -0.094 0.000 0.974 431 S CB -0.805 62.409 63.200 0.023 0.000 0.800 431 S HN 0.284 8.594 8.310 -0.000 0.000 0.484 432 V N 2.305 122.183 119.914 -0.059 0.000 2.255 432 V HA -0.149 3.972 4.120 0.003 0.000 0.247 432 V C 3.028 179.055 176.094 -0.111 0.000 1.051 432 V CA 1.883 64.158 62.300 -0.042 0.000 1.018 432 V CB -1.525 30.309 31.823 0.017 0.000 0.641 432 V HN 0.642 8.832 8.190 -0.000 0.000 0.445 433 A N 0.638 123.342 122.820 -0.194 0.000 1.902 433 A HA -0.236 4.086 4.320 0.003 0.000 0.217 433 A C 2.576 179.964 177.584 -0.326 0.000 1.181 433 A CA 2.514 54.395 52.037 -0.261 0.000 0.623 433 A CB -0.852 17.983 19.000 -0.275 0.000 0.818 433 A HN 0.693 8.843 8.150 -0.000 0.000 0.443 434 S N -0.765 114.653 115.700 -0.470 0.000 2.402 434 S HA -0.216 4.256 4.470 0.003 0.000 0.229 434 S C 1.961 176.436 174.600 -0.208 0.000 1.021 434 S CA 1.418 59.365 58.200 -0.421 0.000 0.974 434 S CB -0.456 62.396 63.200 -0.579 0.000 0.800 434 S HN 0.660 8.970 8.310 -0.000 0.000 0.484 435 Q N 0.063 119.781 119.800 -0.137 0.000 2.079 435 Q HA -0.023 4.318 4.340 0.003 0.000 0.200 435 Q C 2.502 178.508 176.000 0.011 0.000 0.974 435 Q CA 1.736 57.523 55.803 -0.026 0.000 0.840 435 Q CB -0.538 28.198 28.738 -0.004 0.000 0.898 435 Q HN 0.682 8.952 8.270 -0.000 0.000 0.430 436 C N 0.350 119.632 119.300 -0.029 0.000 2.411 436 C HA -0.118 4.344 4.460 0.003 0.000 0.279 436 C C 2.080 177.041 174.990 -0.048 0.000 1.288 436 C CA 0.639 59.658 59.018 0.002 0.000 1.764 436 C CB -0.779 26.959 27.740 -0.002 0.000 1.974 436 C HN 0.447 8.677 8.230 -0.000 0.000 0.498 437 L N -0.340 120.775 121.223 -0.180 0.000 2.629 437 L HA 0.111 4.452 4.340 0.003 0.000 0.230 437 L C 0.971 177.876 176.870 0.057 0.000 1.151 437 L CA -0.146 54.491 54.840 -0.339 0.000 0.924 437 L CB -0.775 41.019 42.059 -0.442 0.000 1.137 437 L HN 0.458 8.688 8.230 -0.000 0.000 0.457 438 H N 1.405 120.505 119.070 0.050 0.000 3.125 438 H HA -0.097 4.461 4.556 0.003 0.000 0.310 438 H C 0.940 176.379 175.328 0.184 0.000 0.980 438 H CA 0.537 56.640 56.048 0.092 0.000 1.422 438 H CB 0.921 30.717 29.762 0.056 0.000 1.432 438 H HN 0.147 8.427 8.280 -0.000 0.000 0.577 439 E N 3.268 123.768 120.200 0.498 0.000 2.331 439 E HA -0.116 4.235 4.350 0.003 0.000 0.199 439 E C -0.068 176.678 176.600 0.244 0.000 1.008 439 E CA 1.093 57.694 56.400 0.335 0.000 0.843 439 E CB 0.196 30.020 29.700 0.207 0.000 0.761 439 E HN 0.439 8.799 8.360 -0.000 0.000 0.507 440 K N 0.406 120.956 120.400 0.249 0.000 2.389 440 K HA 0.115 4.436 4.320 0.003 0.000 0.261 440 K C 0.800 177.333 176.600 -0.111 0.000 1.014 440 K CA -0.373 55.880 56.287 -0.057 0.000 0.920 440 K CB 1.163 33.504 32.500 -0.266 0.000 1.149 440 K HN -0.034 8.216 8.250 -0.000 0.000 0.444 441 K N 2.012 122.391 120.400 -0.035 0.000 2.113 441 K HA -0.235 4.087 4.320 0.003 0.000 0.208 441 K C 0.525 177.081 176.600 -0.074 0.000 1.047 441 K CA 1.527 57.806 56.287 -0.013 0.000 0.928 441 K CB -0.044 32.459 32.500 0.006 0.000 0.716 441 K HN 0.380 8.630 8.250 -0.000 0.000 0.446 442 N N 0.738 119.358 118.700 -0.133 0.000 2.457 442 N HA -0.030 4.712 4.740 0.003 0.000 0.180 442 N C 1.141 176.563 175.510 -0.147 0.000 1.050 442 N CA 0.669 53.625 53.050 -0.157 0.000 0.906 442 N CB 0.122 38.504 38.487 -0.176 0.000 0.968 442 N HN 0.249 8.629 8.380 -0.000 0.000 0.445 443 K N 0.990 121.264 120.400 -0.210 0.000 2.365 443 K HA 0.085 4.406 4.320 0.003 0.000 0.197 443 K C 0.766 177.318 176.600 -0.080 0.000 1.042 443 K CA 0.211 56.362 56.287 -0.228 0.000 0.987 443 K CB 0.120 32.260 32.500 -0.599 0.000 0.779 443 K HN 0.215 8.465 8.250 -0.000 0.000 0.484 444 R N 2.079 122.564 120.500 -0.026 0.000 2.594 444 R HA 0.114 4.456 4.340 0.003 0.000 0.272 444 R C -2.068 174.255 176.300 0.038 0.000 1.074 444 R CA -1.382 54.752 56.100 0.056 0.000 1.105 444 R CB -0.170 30.192 30.300 0.102 0.000 1.008 444 R HN 0.022 8.292 8.270 -0.000 0.000 0.472 445 P HA -0.016 4.404 4.420 -0.000 0.000 0.272 445 P C -1.043 176.290 177.300 0.054 0.000 1.223 445 P CA -0.313 62.813 63.100 0.043 0.000 0.784 445 P CB 0.529 32.258 31.700 0.049 0.000 0.923 446 D N 1.040 121.466 120.400 0.044 0.000 2.411 446 D HA -0.002 4.640 4.640 0.003 0.000 0.251 446 D C 1.125 177.461 176.300 0.061 0.000 1.201 446 D CA -0.567 53.469 54.000 0.061 0.000 0.996 446 D CB 0.236 41.065 40.800 0.047 0.000 1.101 446 D HN 0.128 8.498 8.370 -0.000 0.000 0.504 447 I N -0.423 120.191 120.570 0.074 0.000 2.394 447 I HA -0.182 3.990 4.170 0.003 0.000 0.251 447 I C 1.987 178.094 176.117 -0.017 0.000 1.136 447 I CA 1.495 62.797 61.300 0.002 0.000 1.425 447 I CB -0.621 37.342 38.000 -0.063 0.000 1.079 447 I HN 0.428 8.638 8.210 -0.000 0.000 0.425 448 K N 1.179 121.582 120.400 0.005 0.000 2.032 448 K HA -0.260 4.062 4.320 0.003 0.000 0.209 448 K C 2.185 178.791 176.600 0.009 0.000 1.048 448 K CA 1.981 58.269 56.287 0.002 0.000 0.927 448 K CB -0.439 32.065 32.500 0.007 0.000 0.712 448 K HN 0.202 8.452 8.250 -0.000 0.000 0.441 449 K N -0.101 120.310 120.400 0.019 0.000 2.026 449 K HA -0.047 4.275 4.320 0.003 0.000 0.208 449 K C 1.862 178.481 176.600 0.032 0.000 1.048 449 K CA 1.569 57.871 56.287 0.025 0.000 0.929 449 K CB -0.523 31.994 32.500 0.028 0.000 0.713 449 K HN 0.027 8.277 8.250 -0.000 0.000 0.439 450 V N 1.300 121.238 119.914 0.039 0.000 2.252 450 V HA -0.325 3.797 4.120 0.003 0.000 0.249 450 V C 2.495 178.619 176.094 0.050 0.000 1.056 450 V CA 2.187 64.525 62.300 0.063 0.000 1.022 450 V CB -0.579 31.292 31.823 0.081 0.000 0.641 450 V HN 0.474 8.664 8.190 -0.000 0.000 0.445 451 Q N -0.744 119.062 119.800 0.011 0.000 2.096 451 Q HA -0.323 4.018 4.340 0.003 0.000 0.208 451 Q C 2.436 178.448 176.000 0.020 0.000 0.993 451 Q CA 2.349 58.154 55.803 0.003 0.000 0.862 451 Q CB -0.187 28.541 28.738 -0.017 0.000 0.915 451 Q HN 0.706 8.976 8.270 -0.000 0.000 0.416 452 Q N 0.001 119.814 119.800 0.021 0.000 2.050 452 Q HA -0.157 4.185 4.340 0.003 0.000 0.202 452 Q C 2.280 178.298 176.000 0.031 0.000 0.980 452 Q CA 1.124 56.941 55.803 0.024 0.000 0.840 452 Q CB -0.143 28.608 28.738 0.022 0.000 0.898 452 Q HN 0.383 8.653 8.270 -0.000 0.000 0.424 453 L N 0.365 121.611 121.223 0.037 0.000 2.043 453 L HA -0.247 4.095 4.340 0.003 0.000 0.212 453 L C 2.293 179.192 176.870 0.048 0.000 1.075 453 L CA 1.126 55.992 54.840 0.043 0.000 0.752 453 L CB -0.387 41.700 42.059 0.046 0.000 0.891 453 L HN 0.261 8.491 8.230 -0.000 0.000 0.432 454 L N -1.190 120.065 121.223 0.053 0.000 2.217 454 L HA -0.170 4.171 4.340 0.003 0.000 0.211 454 L C 2.594 179.483 176.870 0.032 0.000 1.107 454 L CA 0.741 55.611 54.840 0.050 0.000 0.783 454 L CB -0.316 41.782 42.059 0.066 0.000 0.919 454 L HN 0.342 8.572 8.230 -0.000 0.000 0.442 455 Q N 0.144 119.962 119.800 0.029 0.000 2.046 455 Q HA -0.215 4.127 4.340 0.003 0.000 0.200 455 Q C 2.039 178.056 176.000 0.028 0.000 0.975 455 Q CA 1.580 57.396 55.803 0.023 0.000 0.836 455 Q CB 0.156 28.907 28.738 0.022 0.000 0.896 455 Q HN 0.499 8.769 8.270 -0.000 0.000 0.428 456 E N 0.457 120.677 120.200 0.033 0.000 2.031 456 E HA -0.245 4.107 4.350 0.003 0.000 0.193 456 E C 1.959 178.587 176.600 0.047 0.000 0.994 456 E CA 1.355 57.778 56.400 0.038 0.000 0.800 456 E CB -0.263 29.459 29.700 0.036 0.000 0.752 456 E HN 0.381 8.741 8.360 -0.000 0.000 0.447 457 M N 1.438 121.071 119.600 0.056 0.000 2.146 457 M HA -0.209 4.273 4.480 0.003 0.000 0.251 457 M C 0.928 177.274 176.300 0.076 0.000 1.083 457 M CA 1.980 57.325 55.300 0.076 0.000 1.076 457 M CB -0.561 32.090 32.600 0.085 0.000 1.332 457 M HN 0.163 8.453 8.290 -0.000 0.000 0.400 458 T N 0.000 114.585 114.554 0.051 0.000 3.816 458 T HA 0.000 4.352 4.350 0.003 0.000 0.228 458 T CA 0.000 62.130 62.100 0.050 0.000 1.349 458 T CB 0.000 68.881 68.868 0.021 0.000 0.612 458 T HN 0.000 8.240 8.240 -0.000 0.000 0.658