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 1xn0_1_B DATA FIRST_RESID 163 DATA SEQUENCE EDHLAKELED LNKWGLNIFN VAGYSHNRPL TXIMYAIFQE RDLLKTFRIS DATA SEQUENCE SDTFITYMMT LEDHYHSDVA YHNSLHAADV AQSTHVLLST PALDAVFTDL DATA SEQUENCE EILAAIFAAA IHDVDHPGVS NQFLINTNSE LALMYNDESV LENHHLAVGF DATA SEQUENCE KLLQEEHXDI FMNLTKKQRQ TLRKMVIDMV LATDMSKHMS LLADLKTMVE DATA SEQUENCE TKKVTSSGVL LLDNYTDRIQ VLRNMVHCAD LSNPTKSLEL YRQWTDRIME DATA SEQUENCE EFFQQGDKER ERGMEISPMX DKHTASVEKS QVGFIDYIVH PLWETWADLV DATA SEQUENCE QPDAQDILDT LEDNRNWYQS MIP 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 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 163 E C 0.000 176.538 176.600 -0.104 0.000 1.382 163 E CA 0.000 56.373 56.400 -0.045 0.000 0.976 163 E CB 0.000 29.677 29.700 -0.038 0.000 0.812 164 D N -0.283 120.017 120.400 -0.167 0.000 2.087 164 D HA -0.174 4.465 4.640 -0.002 0.000 0.192 164 D C 1.597 177.710 176.300 -0.311 0.000 0.993 164 D CA 1.922 55.774 54.000 -0.246 0.000 0.828 164 D CB -0.415 40.180 40.800 -0.343 0.000 0.968 164 D HN 0.360 8.730 8.370 -0.000 0.000 0.448 165 H N -0.030 118.832 119.070 -0.348 0.000 2.352 165 H HA -0.096 4.458 4.556 -0.002 0.000 0.299 165 H C 2.303 177.350 175.328 -0.467 0.000 1.097 165 H CA 0.695 56.383 56.048 -0.600 0.000 1.311 165 H CB -0.518 28.433 29.762 -1.352 0.000 1.377 165 H HN 0.105 8.385 8.280 -0.000 0.000 0.504 166 L N 1.053 122.142 121.223 -0.224 0.000 2.017 166 L HA -0.104 4.235 4.340 -0.002 0.000 0.208 166 L C 2.611 179.494 176.870 0.021 0.000 1.073 166 L CA 1.962 56.810 54.840 0.014 0.000 0.745 166 L CB -0.937 41.158 42.059 0.060 0.000 0.894 166 L HN 0.182 8.412 8.230 -0.000 0.000 0.432 167 A N -0.807 122.001 122.820 -0.020 0.000 1.908 167 A HA -0.272 4.047 4.320 -0.002 0.000 0.218 167 A C 2.476 180.056 177.584 -0.007 0.000 1.181 167 A CA 2.042 54.073 52.037 -0.010 0.000 0.627 167 A CB -0.663 18.322 19.000 -0.027 0.000 0.818 167 A HN 0.502 8.652 8.150 -0.000 0.000 0.445 168 K N -0.779 119.604 120.400 -0.029 0.000 2.097 168 K HA -0.198 4.121 4.320 -0.002 0.000 0.206 168 K C 2.026 178.646 176.600 0.034 0.000 1.049 168 K CA 1.634 57.917 56.287 -0.008 0.000 0.933 168 K CB -0.067 32.418 32.500 -0.025 0.000 0.717 168 K HN 0.408 8.658 8.250 -0.000 0.000 0.442 169 E N 0.922 121.159 120.200 0.062 0.000 2.106 169 E HA -0.095 4.254 4.350 -0.002 0.000 0.192 169 E C 1.725 178.370 176.600 0.074 0.000 0.984 169 E CA 0.964 57.422 56.400 0.097 0.000 0.806 169 E CB -0.081 29.721 29.700 0.171 0.000 0.750 169 E HN 0.292 8.652 8.360 -0.000 0.000 0.458 170 L N 0.463 121.722 121.223 0.061 0.000 2.465 170 L HA -0.033 4.306 4.340 -0.002 0.000 0.224 170 L C 1.924 178.822 176.870 0.047 0.000 1.145 170 L CA 0.628 55.499 54.840 0.052 0.000 0.834 170 L CB -0.249 41.837 42.059 0.045 0.000 0.944 170 L HN 0.148 8.378 8.230 -0.000 0.000 0.451 171 E N 0.143 120.368 120.200 0.042 0.000 2.204 171 E HA -0.189 4.160 4.350 -0.002 0.000 0.195 171 E C 0.506 177.139 176.600 0.055 0.000 0.990 171 E CA 0.882 57.306 56.400 0.040 0.000 0.821 171 E CB 0.058 29.776 29.700 0.031 0.000 0.750 171 E HN 0.451 8.811 8.360 -0.000 0.000 0.477 172 D N 0.299 120.736 120.400 0.063 0.000 2.370 172 D HA 0.002 4.641 4.640 -0.002 0.000 0.230 172 D C 1.301 177.658 176.300 0.094 0.000 1.143 172 D CA -0.047 53.999 54.000 0.077 0.000 0.834 172 D CB 0.270 41.113 40.800 0.072 0.000 0.944 172 D HN 0.071 8.441 8.370 -0.000 0.000 0.504 173 L N 0.973 122.253 121.223 0.094 0.000 2.012 173 L HA -0.159 4.179 4.340 -0.002 0.000 0.210 173 L C 1.044 178.043 176.870 0.215 0.000 1.073 173 L CA 1.678 56.587 54.840 0.115 0.000 0.748 173 L CB -0.307 41.796 42.059 0.074 0.000 0.891 173 L HN -0.066 8.164 8.230 -0.000 0.000 0.431 174 N N 0.227 119.054 118.700 0.213 0.000 2.421 174 N HA 0.049 4.788 4.740 -0.002 0.000 0.201 174 N C -0.480 175.126 175.510 0.160 0.000 1.198 174 N CA 0.392 53.569 53.050 0.211 0.000 0.838 174 N CB -0.062 38.518 38.487 0.156 0.000 1.011 174 N HN 0.483 8.863 8.380 -0.000 0.000 0.463 175 K N -1.180 119.323 120.400 0.172 0.000 2.375 175 K HA 0.167 4.486 4.320 -0.002 0.000 0.249 175 K C 0.117 176.861 176.600 0.241 0.000 0.942 175 K CA -0.812 55.587 56.287 0.186 0.000 0.806 175 K CB 1.991 34.575 32.500 0.139 0.000 1.227 175 K HN 0.015 8.265 8.250 -0.000 0.000 0.430 176 W N 1.833 123.157 121.300 0.040 0.000 2.392 176 W HA -0.095 4.564 4.660 -0.002 0.000 0.279 176 W C 1.038 177.581 176.519 0.039 0.000 1.225 176 W CA 1.708 59.070 57.345 0.029 0.000 1.233 176 W CB 0.334 29.793 29.460 -0.002 0.000 1.122 176 W HN 0.898 9.078 8.180 -0.000 0.000 0.561 177 G N 0.835 109.735 108.800 0.166 0.000 2.848 177 G HA2 -0.043 3.916 3.960 -0.002 0.000 0.208 177 G HA3 -0.043 3.916 3.960 -0.002 0.000 0.208 177 G C 0.413 175.341 174.900 0.047 0.000 1.152 177 G CA -0.448 44.702 45.100 0.084 0.000 0.789 177 G HN 0.107 8.397 8.290 -0.000 0.000 0.531 178 L N 0.609 121.855 121.223 0.038 0.000 2.506 178 L HA 0.152 4.491 4.340 -0.002 0.000 0.281 178 L C -0.103 176.784 176.870 0.028 0.000 1.228 178 L CA -0.198 54.663 54.840 0.036 0.000 0.850 178 L CB 0.635 42.715 42.059 0.035 0.000 1.110 178 L HN 0.004 8.234 8.230 -0.000 0.000 0.496 179 N N 4.332 123.062 118.700 0.049 0.000 2.707 179 N HA 0.084 4.822 4.740 -0.002 0.000 0.235 179 N C 0.558 176.096 175.510 0.047 0.000 1.028 179 N CA -0.305 52.790 53.050 0.075 0.000 0.906 179 N CB 0.899 39.431 38.487 0.076 0.000 1.131 179 N HN 0.737 9.117 8.380 -0.000 0.000 0.509 180 I N 3.198 123.762 120.570 -0.009 0.000 2.614 180 I HA -0.054 4.114 4.170 -0.002 0.000 0.258 180 I C 1.121 177.098 176.117 -0.233 0.000 1.189 180 I CA 1.077 62.302 61.300 -0.125 0.000 1.462 180 I CB -0.154 37.748 38.000 -0.163 0.000 1.092 180 I HN 0.397 8.607 8.210 -0.000 0.000 0.442 181 F N 0.656 120.504 119.950 -0.171 0.000 2.102 181 F HA -0.241 4.285 4.527 -0.002 0.000 0.298 181 F C 2.343 178.002 175.800 -0.234 0.000 1.105 181 F CA 1.575 59.431 58.000 -0.239 0.000 1.239 181 F CB -1.088 37.728 39.000 -0.306 0.000 0.991 181 F HN 0.128 8.428 8.300 -0.000 0.000 0.474 182 N N 0.315 119.008 118.700 -0.011 0.000 2.166 182 N HA -0.150 4.589 4.740 -0.002 0.000 0.186 182 N C 2.167 177.577 175.510 -0.166 0.000 1.019 182 N CA 1.481 54.435 53.050 -0.160 0.000 0.856 182 N CB -0.856 37.637 38.487 0.011 0.000 0.993 182 N HN 0.332 8.712 8.380 -0.000 0.000 0.426 183 V N -0.095 119.800 119.914 -0.033 0.000 2.667 183 V HA 0.062 4.181 4.120 -0.002 0.000 0.252 183 V C 1.998 178.060 176.094 -0.054 0.000 1.065 183 V CA 1.663 63.974 62.300 0.018 0.000 1.083 183 V CB -0.649 31.196 31.823 0.036 0.000 0.692 183 V HN 0.211 8.401 8.190 -0.000 0.000 0.468 184 A N 0.906 123.652 122.820 -0.123 0.000 1.898 184 A HA 0.078 4.397 4.320 -0.002 0.000 0.216 184 A C 2.402 179.894 177.584 -0.155 0.000 1.181 184 A CA 1.739 53.698 52.037 -0.130 0.000 0.620 184 A CB -1.514 17.391 19.000 -0.159 0.000 0.819 184 A HN 0.732 8.882 8.150 -0.000 0.000 0.442 185 G N -1.703 106.943 108.800 -0.258 0.000 2.422 185 G HA2 -0.162 3.797 3.960 -0.002 0.000 0.218 185 G HA3 -0.162 3.797 3.960 -0.002 0.000 0.218 185 G C 1.177 175.870 174.900 -0.345 0.000 1.146 185 G CA 1.083 45.970 45.100 -0.354 0.000 0.769 185 G HN 0.551 8.841 8.290 -0.000 0.000 0.547 186 Y N 0.867 121.100 120.300 -0.112 0.000 2.466 186 Y HA 0.234 4.783 4.550 -0.002 0.000 0.272 186 Y C 2.163 177.955 175.900 -0.179 0.000 1.169 186 Y CA -0.139 57.879 58.100 -0.137 0.000 1.285 186 Y CB 0.164 38.596 38.460 -0.047 0.000 1.078 186 Y HN 0.267 8.547 8.280 -0.000 0.000 0.523 187 S N -1.986 113.678 115.700 -0.061 0.000 2.749 187 S HA 0.139 4.608 4.470 -0.002 0.000 0.246 187 S C -0.385 174.211 174.600 -0.007 0.000 1.023 187 S CA -0.336 57.844 58.200 -0.034 0.000 1.012 187 S CB -0.544 62.665 63.200 0.015 0.000 0.942 187 S HN 0.416 8.726 8.310 -0.000 0.000 0.531 188 H N 2.530 121.613 119.070 0.022 0.000 2.750 188 H HA -0.121 4.434 4.556 -0.002 0.000 0.327 188 H C 0.056 175.374 175.328 -0.016 0.000 1.199 188 H CA 0.790 56.839 56.048 0.003 0.000 1.149 188 H CB -2.280 27.488 29.762 0.010 0.000 1.543 188 H HN 0.614 8.894 8.280 -0.000 0.000 0.427 189 N N 0.384 119.107 118.700 0.037 0.000 2.698 189 N HA -0.218 4.521 4.740 -0.002 0.000 0.258 189 N C 0.010 175.517 175.510 -0.005 0.000 0.978 189 N CA 0.762 53.809 53.050 -0.004 0.000 0.777 189 N CB -0.249 38.236 38.487 -0.004 0.000 0.907 189 N HN 0.549 8.929 8.380 -0.000 0.000 0.543 190 R N 0.068 120.565 120.500 -0.005 0.000 2.989 190 R HA 0.149 4.487 4.340 -0.002 0.000 0.340 190 R C -1.522 174.757 176.300 -0.035 0.000 1.205 190 R CA -1.058 55.031 56.100 -0.017 0.000 1.235 190 R CB 0.908 31.212 30.300 0.006 0.000 1.394 190 R HN 0.265 8.535 8.270 -0.000 0.000 0.598 191 P HA -0.185 4.235 4.420 -0.000 0.000 0.215 191 P C 1.400 178.653 177.300 -0.078 0.000 1.153 191 P CA 0.804 63.855 63.100 -0.081 0.000 0.853 191 P CB 0.366 31.986 31.700 -0.134 0.000 0.788 192 L N -0.461 120.694 121.223 -0.114 0.000 2.056 192 L HA 0.005 4.344 4.340 -0.002 0.000 0.207 192 L C 1.114 177.948 176.870 -0.060 0.000 1.078 192 L CA 1.695 56.463 54.840 -0.119 0.000 0.749 192 L CB -1.591 40.347 42.059 -0.202 0.000 0.901 192 L HN -0.099 8.131 8.230 -0.000 0.000 0.433 196 M N -0.347 119.354 119.600 0.168 0.000 2.132 196 M HA -0.088 4.391 4.480 -0.002 0.000 0.263 196 M C 2.195 178.754 176.300 0.431 0.000 1.065 196 M CA 1.917 57.388 55.300 0.285 0.000 1.122 196 M CB -1.095 31.619 32.600 0.190 0.000 1.365 196 M HN 0.399 8.689 8.290 -0.000 0.000 0.411 197 Y N 1.213 121.688 120.300 0.292 0.000 2.145 197 Y HA -0.140 4.409 4.550 -0.002 0.000 0.286 197 Y C 2.428 178.401 175.900 0.122 0.000 1.145 197 Y CA 1.718 59.964 58.100 0.243 0.000 1.148 197 Y CB -0.634 37.950 38.460 0.206 0.000 0.981 197 Y HN 0.210 8.490 8.280 -0.000 0.000 0.507 198 A N 0.203 123.086 122.820 0.105 0.000 1.908 198 A HA -0.198 4.121 4.320 -0.002 0.000 0.218 198 A C 2.343 179.886 177.584 -0.068 0.000 1.181 198 A CA 2.103 54.121 52.037 -0.031 0.000 0.627 198 A CB -1.183 17.823 19.000 0.010 0.000 0.818 198 A HN 0.534 8.684 8.150 -0.000 0.000 0.445 199 I N -1.993 118.565 120.570 -0.020 0.000 2.226 199 I HA -0.229 3.939 4.170 -0.002 0.000 0.245 199 I C 2.220 178.330 176.117 -0.012 0.000 1.100 199 I CA 1.226 62.440 61.300 -0.143 0.000 1.374 199 I CB -0.309 37.649 38.000 -0.070 0.000 1.057 199 I HN 0.282 8.492 8.210 -0.000 0.000 0.413 200 F N 0.923 120.792 119.950 -0.136 0.000 2.186 200 F HA -0.185 4.340 4.527 -0.002 0.000 0.299 200 F C 2.689 178.359 175.800 -0.216 0.000 1.090 200 F CA 1.287 59.179 58.000 -0.181 0.000 1.307 200 F CB -0.653 38.111 39.000 -0.393 0.000 1.019 200 F HN 0.088 8.388 8.300 -0.000 0.000 0.489 201 Q N -0.221 119.501 119.800 -0.130 0.000 2.046 201 Q HA -0.248 4.091 4.340 -0.002 0.000 0.200 201 Q C 2.149 178.084 176.000 -0.109 0.000 0.975 201 Q CA 1.738 57.427 55.803 -0.190 0.000 0.836 201 Q CB -0.492 28.054 28.738 -0.320 0.000 0.896 201 Q HN 0.349 8.619 8.270 -0.000 0.000 0.428 202 E N 1.296 121.442 120.200 -0.090 0.000 2.097 202 E HA -0.185 4.164 4.350 -0.002 0.000 0.196 202 E C 1.563 178.162 176.600 -0.001 0.000 1.000 202 E CA 1.397 57.777 56.400 -0.033 0.000 0.804 202 E CB 0.009 29.696 29.700 -0.022 0.000 0.740 202 E HN 0.141 8.501 8.360 -0.000 0.000 0.454 203 R N -0.343 120.145 120.500 -0.019 0.000 2.310 203 R HA 0.025 4.364 4.340 -0.002 0.000 0.202 203 R C 0.138 176.407 176.300 -0.052 0.000 0.933 203 R CA 0.678 56.771 56.100 -0.013 0.000 1.054 203 R CB 0.206 30.490 30.300 -0.028 0.000 0.985 203 R HN 0.139 8.409 8.270 -0.000 0.000 0.489 204 D N -0.593 119.768 120.400 -0.064 0.000 3.076 204 D HA -0.188 4.451 4.640 -0.002 0.000 0.218 204 D C 0.596 176.852 176.300 -0.073 0.000 1.156 204 D CA 0.559 54.519 54.000 -0.067 0.000 0.921 204 D CB -1.077 39.687 40.800 -0.060 0.000 1.113 204 D HN 0.217 8.587 8.370 -0.000 0.000 0.418 205 L N -0.327 120.844 121.223 -0.088 0.000 2.131 205 L HA -0.118 4.221 4.340 -0.002 0.000 0.210 205 L C 2.508 179.451 176.870 0.121 0.000 1.092 205 L CA 0.863 55.685 54.840 -0.030 0.000 0.759 205 L CB -0.275 41.568 42.059 -0.360 0.000 0.903 205 L HN 0.240 8.470 8.230 -0.000 0.000 0.435 206 L N -0.694 120.577 121.223 0.080 0.000 2.141 206 L HA -0.183 4.156 4.340 -0.002 0.000 0.209 206 L C 2.456 179.360 176.870 0.056 0.000 1.094 206 L CA 1.155 56.046 54.840 0.085 0.000 0.763 206 L CB -0.360 41.700 42.059 0.002 0.000 0.908 206 L HN 0.148 8.378 8.230 -0.000 0.000 0.437 207 K N -0.544 119.856 120.400 0.000 0.000 2.076 207 K HA -0.036 4.283 4.320 -0.002 0.000 0.204 207 K C 2.119 178.672 176.600 -0.079 0.000 1.051 207 K CA 1.266 57.538 56.287 -0.026 0.000 0.949 207 K CB -0.380 32.097 32.500 -0.039 0.000 0.726 207 K HN 0.059 8.309 8.250 -0.000 0.000 0.443 208 T N 0.364 114.820 114.554 -0.163 0.000 2.720 208 T HA -0.119 4.230 4.350 -0.002 0.000 0.268 208 T C 0.783 175.158 174.700 -0.541 0.000 1.037 208 T CA 1.392 63.246 62.100 -0.410 0.000 1.144 208 T CB -0.193 68.320 68.868 -0.592 0.000 0.864 208 T HN 0.075 8.315 8.240 -0.000 0.000 0.444 209 F N 0.503 120.473 119.950 0.034 0.000 2.639 209 F HA 0.435 4.962 4.527 -0.001 0.000 0.302 209 F C 0.778 176.618 175.800 0.067 0.000 1.097 209 F CA -0.717 57.320 58.000 0.062 0.000 1.294 209 F CB -0.205 38.858 39.000 0.104 0.000 1.027 209 F HN -0.145 8.155 8.300 -0.000 0.000 0.550 210 R N 1.118 121.705 120.500 0.145 0.000 3.251 210 R HA -0.192 4.147 4.340 -0.002 0.000 0.249 210 R C -0.685 175.694 176.300 0.131 0.000 0.949 210 R CA 0.343 56.508 56.100 0.109 0.000 0.645 210 R CB -2.378 27.973 30.300 0.086 0.000 1.065 210 R HN 0.333 8.603 8.270 -0.000 0.000 0.452 211 I N 0.543 121.202 120.570 0.149 0.000 2.331 211 I HA 0.078 4.247 4.170 -0.002 0.000 0.292 211 I C 1.199 177.382 176.117 0.111 0.000 0.998 211 I CA -0.314 61.068 61.300 0.136 0.000 1.267 211 I CB 1.678 39.779 38.000 0.169 0.000 1.386 211 I HN 0.134 8.344 8.210 -0.000 0.000 0.476 212 S N 4.013 119.774 115.700 0.101 0.000 2.549 212 S HA 0.016 4.485 4.470 -0.002 0.000 0.286 212 S C 1.290 175.973 174.600 0.138 0.000 1.314 212 S CA -0.182 58.078 58.200 0.100 0.000 1.062 212 S CB 1.068 64.317 63.200 0.082 0.000 0.865 212 S HN 0.693 9.003 8.310 -0.000 0.000 0.498 213 S N 3.123 118.906 115.700 0.138 0.000 2.368 213 S HA -0.102 4.367 4.470 -0.002 0.000 0.225 213 S C 1.300 175.984 174.600 0.140 0.000 1.030 213 S CA 1.542 59.853 58.200 0.185 0.000 0.999 213 S CB -0.536 62.775 63.200 0.184 0.000 0.844 213 S HN 0.854 9.164 8.310 -0.000 0.000 0.459 214 D N 0.725 121.179 120.400 0.090 0.000 2.084 214 D HA -0.070 4.569 4.640 -0.002 0.000 0.194 214 D C 2.081 178.424 176.300 0.072 0.000 0.990 214 D CA 1.476 55.511 54.000 0.058 0.000 0.826 214 D CB -0.989 39.842 40.800 0.052 0.000 0.971 214 D HN 0.345 8.715 8.370 -0.000 0.000 0.453 215 T N 0.674 115.282 114.554 0.090 0.000 2.759 215 T HA -0.166 4.183 4.350 -0.002 0.000 0.269 215 T C 1.705 176.449 174.700 0.073 0.000 1.042 215 T CA 0.674 62.817 62.100 0.072 0.000 1.140 215 T CB -0.432 68.471 68.868 0.058 0.000 0.864 215 T HN 0.092 8.332 8.240 -0.000 0.000 0.455 216 F N 1.686 121.612 119.950 -0.040 0.000 2.102 216 F HA -0.050 4.476 4.527 -0.002 0.000 0.298 216 F C 1.959 177.732 175.800 -0.046 0.000 1.105 216 F CA 0.905 58.862 58.000 -0.071 0.000 1.239 216 F CB -0.301 38.669 39.000 -0.050 0.000 0.991 216 F HN 0.020 8.320 8.300 -0.000 0.000 0.474 217 I N -0.131 120.432 120.570 -0.013 0.000 2.252 217 I HA -0.232 3.937 4.170 -0.002 0.000 0.245 217 I C 2.298 178.334 176.117 -0.135 0.000 1.102 217 I CA 1.555 62.776 61.300 -0.132 0.000 1.385 217 I CB -1.853 36.075 38.000 -0.121 0.000 1.064 217 I HN 0.156 8.366 8.210 -0.000 0.000 0.414 218 T N 0.409 114.924 114.554 -0.065 0.000 2.684 218 T HA -0.252 4.097 4.350 -0.002 0.000 0.267 218 T C 1.882 176.526 174.700 -0.093 0.000 1.036 218 T CA 1.613 63.685 62.100 -0.045 0.000 1.148 218 T CB -0.568 68.313 68.868 0.023 0.000 0.863 218 T HN 0.337 8.577 8.240 -0.000 0.000 0.436 219 Y N 1.213 121.379 120.300 -0.224 0.000 2.163 219 Y HA -0.114 4.434 4.550 -0.002 0.000 0.288 219 Y C 2.299 178.035 175.900 -0.273 0.000 1.136 219 Y CA 1.243 59.189 58.100 -0.256 0.000 1.147 219 Y CB -0.235 38.040 38.460 -0.308 0.000 0.987 219 Y HN 0.019 8.299 8.280 -0.000 0.000 0.509 220 M N -0.428 119.005 119.600 -0.278 0.000 2.175 220 M HA -0.208 4.271 4.480 -0.002 0.000 0.264 220 M C 2.208 178.361 176.300 -0.246 0.000 1.063 220 M CA 1.584 56.690 55.300 -0.323 0.000 1.119 220 M CB -0.990 31.341 32.600 -0.449 0.000 1.377 220 M HN 0.467 8.757 8.290 -0.000 0.000 0.415 221 M N -0.693 118.788 119.600 -0.197 0.000 2.117 221 M HA -0.168 4.310 4.480 -0.002 0.000 0.262 221 M C 2.014 178.251 176.300 -0.106 0.000 1.065 221 M CA 1.662 56.889 55.300 -0.122 0.000 1.114 221 M CB -0.528 32.018 32.600 -0.090 0.000 1.361 221 M HN 0.239 8.529 8.290 -0.000 0.000 0.408 222 T N 0.954 115.414 114.554 -0.157 0.000 2.777 222 T HA -0.131 4.218 4.350 -0.002 0.000 0.266 222 T C 1.651 176.311 174.700 -0.066 0.000 1.040 222 T CA 1.126 63.166 62.100 -0.100 0.000 1.141 222 T CB -0.357 68.403 68.868 -0.179 0.000 0.868 222 T HN 0.238 8.478 8.240 -0.000 0.000 0.444 223 L N 1.533 122.554 121.223 -0.337 0.000 1.989 223 L HA -0.108 4.231 4.340 -0.002 0.000 0.211 223 L C 2.498 179.401 176.870 0.055 0.000 1.071 223 L CA 2.088 56.763 54.840 -0.276 0.000 0.749 223 L CB -0.680 41.131 42.059 -0.414 0.000 0.890 223 L HN 0.287 8.517 8.230 -0.000 0.000 0.431 224 E N -0.862 119.358 120.200 0.033 0.000 2.097 224 E HA -0.281 4.068 4.350 -0.002 0.000 0.196 224 E C 1.666 178.355 176.600 0.148 0.000 1.000 224 E CA 1.645 58.108 56.400 0.105 0.000 0.804 224 E CB -0.110 29.576 29.700 -0.022 0.000 0.740 224 E HN 0.565 8.925 8.360 -0.000 0.000 0.454 225 D N -0.664 119.788 120.400 0.088 0.000 2.263 225 D HA -0.122 4.517 4.640 -0.002 0.000 0.208 225 D C 1.202 177.509 176.300 0.012 0.000 0.971 225 D CA 0.920 54.945 54.000 0.042 0.000 0.867 225 D CB -0.198 40.594 40.800 -0.012 0.000 0.929 225 D HN 0.386 8.756 8.370 -0.000 0.000 0.492 226 H N -1.646 117.444 119.070 0.033 0.000 2.551 226 H HA 0.086 4.641 4.556 -0.002 0.000 0.266 226 H C -0.229 175.113 175.328 0.024 0.000 0.977 226 H CA 0.210 56.267 56.048 0.016 0.000 1.163 226 H CB -0.094 29.611 29.762 -0.094 0.000 1.381 226 H HN 0.134 8.414 8.280 -0.000 0.000 0.581 227 Y N 0.976 121.344 120.300 0.113 0.000 2.327 227 Y HA 0.124 4.673 4.550 -0.001 0.000 0.336 227 Y C 0.407 176.407 175.900 0.167 0.000 1.035 227 Y CA -0.544 57.590 58.100 0.057 0.000 1.165 227 Y CB 0.325 38.780 38.460 -0.008 0.000 1.181 227 Y HN 0.246 8.526 8.280 -0.000 0.000 0.494 228 H N 1.075 120.237 119.070 0.153 0.000 2.848 228 H HA 0.064 4.619 4.556 -0.002 0.000 0.317 228 H C 0.791 176.172 175.328 0.089 0.000 1.046 228 H CA 0.057 56.162 56.048 0.093 0.000 1.470 228 H CB 0.948 30.762 29.762 0.086 0.000 1.483 228 H HN 0.776 9.056 8.280 -0.000 0.000 0.548 229 S N 1.384 117.185 115.700 0.169 0.000 2.522 229 S HA -0.150 4.319 4.470 -0.002 0.000 0.227 229 S C 1.113 175.765 174.600 0.087 0.000 0.986 229 S CA 0.529 58.787 58.200 0.097 0.000 0.929 229 S CB 0.026 63.258 63.200 0.052 0.000 0.769 229 S HN 0.769 9.079 8.310 -0.000 0.000 0.529 230 D N 1.093 121.556 120.400 0.105 0.000 2.336 230 D HA 0.141 4.779 4.640 -0.002 0.000 0.228 230 D C -0.108 176.256 176.300 0.107 0.000 1.120 230 D CA -0.286 53.764 54.000 0.083 0.000 0.839 230 D CB -0.092 40.742 40.800 0.056 0.000 0.932 230 D HN 0.262 8.632 8.370 -0.000 0.000 0.509 231 V N 0.946 120.940 119.914 0.132 0.000 2.448 231 V HA 0.516 4.634 4.120 -0.002 0.000 0.295 231 V C 1.251 177.403 176.094 0.096 0.000 1.025 231 V CA -0.400 61.976 62.300 0.127 0.000 0.859 231 V CB 1.336 33.253 31.823 0.157 0.000 0.988 231 V HN 0.199 8.389 8.190 -0.000 0.000 0.431 232 A N 4.169 127.043 122.820 0.090 0.000 1.873 232 A HA -0.161 4.158 4.320 -0.002 0.000 0.215 232 A C 1.750 179.386 177.584 0.085 0.000 1.186 232 A CA 1.931 54.015 52.037 0.079 0.000 0.616 232 A CB -0.344 18.702 19.000 0.076 0.000 0.823 232 A HN 0.916 9.066 8.150 -0.000 0.000 0.442 233 Y N -0.941 119.322 120.300 -0.061 0.000 2.351 233 Y HA 0.156 4.705 4.550 -0.002 0.000 0.291 233 Y C 1.109 176.842 175.900 -0.277 0.000 1.153 233 Y CA 0.848 58.847 58.100 -0.168 0.000 1.193 233 Y CB 0.109 38.365 38.460 -0.341 0.000 1.187 233 Y HN 0.384 8.664 8.280 -0.000 0.000 0.524 234 H N 1.838 120.900 119.070 -0.012 0.000 3.319 234 H HA 0.135 4.690 4.556 -0.001 0.000 0.213 234 H C -0.641 174.696 175.328 0.014 0.000 1.782 234 H CA -0.086 55.887 56.048 -0.124 0.000 1.339 234 H CB -1.061 28.401 29.762 -0.500 0.000 1.651 234 H HN 0.415 8.695 8.280 -0.000 0.000 0.622 235 N N -1.754 116.976 118.700 0.051 0.000 2.813 235 N HA 0.081 4.820 4.740 -0.002 0.000 0.320 235 N C 1.139 176.567 175.510 -0.135 0.000 1.315 235 N CA -0.335 52.764 53.050 0.082 0.000 0.871 235 N CB 0.461 38.970 38.487 0.037 0.000 1.241 235 N HN 0.031 8.411 8.380 -0.000 0.000 0.602 236 S N -1.135 114.416 115.700 -0.248 0.000 2.481 236 S HA -0.083 4.386 4.470 -0.002 0.000 0.231 236 S C 1.508 175.860 174.600 -0.413 0.000 0.996 236 S CA 0.249 58.081 58.200 -0.614 0.000 0.942 236 S CB -0.576 62.394 63.200 -0.383 0.000 0.768 236 S HN 0.496 8.806 8.310 -0.000 0.000 0.520 237 L N 1.520 122.594 121.223 -0.249 0.000 2.093 237 L HA 0.017 4.356 4.340 -0.002 0.000 0.208 237 L C 2.453 179.235 176.870 -0.146 0.000 1.085 237 L CA 2.112 56.827 54.840 -0.208 0.000 0.755 237 L CB -0.820 41.103 42.059 -0.227 0.000 0.904 237 L HN 0.496 8.726 8.230 -0.000 0.000 0.435 238 H N -0.429 118.473 119.070 -0.279 0.000 2.321 238 H HA -0.087 4.467 4.556 -0.002 0.000 0.300 238 H C 2.055 177.213 175.328 -0.284 0.000 1.087 238 H CA 1.758 57.557 56.048 -0.414 0.000 1.319 238 H CB -0.171 29.252 29.762 -0.565 0.000 1.379 238 H HN 0.398 8.678 8.280 -0.000 0.000 0.501 239 A N 0.913 123.464 122.820 -0.447 0.000 1.902 239 A HA -0.071 4.248 4.320 -0.002 0.000 0.217 239 A C 2.643 180.043 177.584 -0.307 0.000 1.181 239 A CA 1.846 53.641 52.037 -0.403 0.000 0.623 239 A CB -1.397 17.210 19.000 -0.655 0.000 0.818 239 A HN 0.634 8.784 8.150 -0.000 0.000 0.443 240 A N -0.069 122.573 122.820 -0.297 0.000 1.933 240 A HA -0.193 4.125 4.320 -0.002 0.000 0.218 240 A C 1.830 179.314 177.584 -0.167 0.000 1.175 240 A CA 2.202 54.125 52.037 -0.189 0.000 0.628 240 A CB -0.671 18.228 19.000 -0.169 0.000 0.814 240 A HN 0.583 8.733 8.150 -0.000 0.000 0.444 241 D N -0.544 119.724 120.400 -0.219 0.000 2.117 241 D HA -0.112 4.527 4.640 -0.002 0.000 0.198 241 D C 1.721 177.865 176.300 -0.260 0.000 0.982 241 D CA 1.609 55.479 54.000 -0.216 0.000 0.828 241 D CB -0.079 40.575 40.800 -0.244 0.000 0.967 241 D HN 0.148 8.518 8.370 -0.000 0.000 0.464 242 V N 0.572 120.281 119.914 -0.341 0.000 2.453 242 V HA -0.091 4.027 4.120 -0.002 0.000 0.247 242 V C 2.544 178.544 176.094 -0.158 0.000 1.048 242 V CA 1.516 63.640 62.300 -0.294 0.000 1.049 242 V CB -0.764 30.812 31.823 -0.411 0.000 0.672 242 V HN 0.339 8.529 8.190 -0.000 0.000 0.457 243 A N -0.779 121.976 122.820 -0.108 0.000 1.898 243 A HA -0.252 4.066 4.320 -0.002 0.000 0.216 243 A C 2.260 179.874 177.584 0.050 0.000 1.181 243 A CA 1.815 53.852 52.037 -0.001 0.000 0.620 243 A CB -0.496 18.522 19.000 0.030 0.000 0.819 243 A HN 0.483 8.633 8.150 -0.000 0.000 0.442 244 Q N 0.144 119.951 119.800 0.012 0.000 2.079 244 Q HA -0.111 4.228 4.340 -0.002 0.000 0.200 244 Q C 2.209 178.262 176.000 0.088 0.000 0.974 244 Q CA 1.854 57.696 55.803 0.065 0.000 0.840 244 Q CB -0.206 28.536 28.738 0.006 0.000 0.898 244 Q HN 0.595 8.865 8.270 -0.000 0.000 0.430 245 S N -0.014 115.671 115.700 -0.025 0.000 2.383 245 S HA -0.089 4.380 4.470 -0.002 0.000 0.227 245 S C 1.947 176.657 174.600 0.184 0.000 1.026 245 S CA 1.531 59.723 58.200 -0.013 0.000 0.981 245 S CB -0.271 62.811 63.200 -0.197 0.000 0.818 245 S HN 0.432 8.742 8.310 -0.000 0.000 0.472 246 T N 0.669 115.283 114.554 0.100 0.000 2.777 246 T HA -0.110 4.239 4.350 -0.002 0.000 0.266 246 T C 1.714 176.499 174.700 0.142 0.000 1.040 246 T CA 1.591 63.745 62.100 0.090 0.000 1.141 246 T CB -0.415 68.472 68.868 0.032 0.000 0.868 246 T HN 0.600 8.840 8.240 -0.000 0.000 0.444 247 H N 1.132 120.255 119.070 0.088 0.000 2.353 247 H HA -0.063 4.492 4.556 -0.002 0.000 0.298 247 H C 1.921 177.328 175.328 0.132 0.000 1.103 247 H CA 1.709 57.815 56.048 0.097 0.000 1.293 247 H CB -0.583 29.234 29.762 0.092 0.000 1.372 247 H HN 0.155 8.435 8.280 -0.000 0.000 0.501 248 V N 0.556 120.498 119.914 0.048 0.000 2.323 248 V HA -0.202 3.917 4.120 -0.002 0.000 0.244 248 V C 2.769 178.932 176.094 0.115 0.000 1.041 248 V CA 1.701 64.041 62.300 0.065 0.000 1.025 248 V CB -0.676 31.347 31.823 0.333 0.000 0.656 248 V HN 0.389 8.579 8.190 -0.000 0.000 0.451 249 L N -0.563 120.784 121.223 0.208 0.000 2.127 249 L HA -0.191 4.148 4.340 -0.002 0.000 0.211 249 L C 2.342 179.331 176.870 0.198 0.000 1.089 249 L CA 1.382 56.343 54.840 0.202 0.000 0.757 249 L CB -0.535 41.612 42.059 0.148 0.000 0.899 249 L HN 0.308 8.538 8.230 -0.000 0.000 0.434 250 L N -1.295 120.006 121.223 0.129 0.000 2.275 250 L HA -0.124 4.215 4.340 -0.002 0.000 0.215 250 L C 2.161 179.116 176.870 0.141 0.000 1.119 250 L CA 0.628 55.563 54.840 0.160 0.000 0.790 250 L CB -0.229 41.886 42.059 0.093 0.000 0.919 250 L HN 0.097 8.327 8.230 -0.000 0.000 0.443 251 S N -1.113 114.619 115.700 0.053 0.000 2.605 251 S HA 0.006 4.475 4.470 -0.002 0.000 0.217 251 S C 0.850 175.482 174.600 0.053 0.000 0.958 251 S CA 0.042 58.258 58.200 0.027 0.000 0.919 251 S CB -0.351 62.818 63.200 -0.051 0.000 0.780 251 S HN 0.536 8.846 8.310 -0.000 0.000 0.507 252 T N 0.944 115.556 114.554 0.096 0.000 2.928 252 T HA 0.148 4.497 4.350 -0.002 0.000 0.305 252 T C -1.864 172.855 174.700 0.031 0.000 1.035 252 T CA -1.230 60.913 62.100 0.073 0.000 1.145 252 T CB 0.747 69.684 68.868 0.115 0.000 0.963 252 T HN -0.079 8.161 8.240 -0.000 0.000 0.545 253 P HA -0.109 4.311 4.420 -0.000 0.000 0.216 253 P C 1.669 178.946 177.300 -0.038 0.000 1.153 253 P CA 1.553 64.644 63.100 -0.015 0.000 0.858 253 P CB -0.252 31.436 31.700 -0.020 0.000 0.789 254 A N -1.219 121.568 122.820 -0.056 0.000 2.125 254 A HA -0.107 4.212 4.320 -0.002 0.000 0.219 254 A C 1.847 179.364 177.584 -0.112 0.000 1.156 254 A CA 1.232 53.212 52.037 -0.094 0.000 0.671 254 A CB -1.281 17.639 19.000 -0.134 0.000 0.794 254 A HN 0.199 8.349 8.150 -0.000 0.000 0.459 255 L N -0.627 120.548 121.223 -0.080 0.000 2.857 255 L HA 0.141 4.480 4.340 -0.002 0.000 0.249 255 L C 0.000 176.800 176.870 -0.117 0.000 1.172 255 L CA -0.436 54.328 54.840 -0.127 0.000 0.980 255 L CB -0.066 41.985 42.059 -0.014 0.000 1.299 255 L HN 0.204 8.434 8.230 -0.000 0.000 0.535 256 D N 1.387 121.747 120.400 -0.066 0.000 2.520 256 D HA 0.141 4.780 4.640 -0.002 0.000 0.243 256 D C 1.242 177.504 176.300 -0.063 0.000 1.160 256 D CA 1.089 55.065 54.000 -0.040 0.000 0.877 256 D CB 0.802 41.583 40.800 -0.032 0.000 1.150 256 D HN 0.306 8.676 8.370 -0.000 0.000 0.494 257 A N 2.364 125.164 122.820 -0.033 0.000 2.945 257 A HA -0.243 4.076 4.320 -0.002 0.000 0.263 257 A C 1.698 179.235 177.584 -0.078 0.000 1.293 257 A CA 1.225 53.243 52.037 -0.032 0.000 0.944 257 A CB -1.923 17.060 19.000 -0.029 0.000 1.093 257 A HN 0.478 8.628 8.150 -0.000 0.000 0.786 258 V N -1.595 118.205 119.914 -0.190 0.000 2.407 258 V HA 0.056 4.175 4.120 -0.002 0.000 0.245 258 V C 1.244 177.163 176.094 -0.292 0.000 1.041 258 V CA 1.815 63.907 62.300 -0.347 0.000 1.040 258 V CB -0.458 30.956 31.823 -0.681 0.000 0.671 258 V HN 0.525 8.715 8.190 -0.000 0.000 0.455 259 F N 0.926 120.892 119.950 0.026 0.000 2.379 259 F HA 0.459 4.985 4.527 -0.002 0.000 0.332 259 F C 1.061 176.889 175.800 0.046 0.000 1.096 259 F CA -1.167 56.857 58.000 0.040 0.000 1.105 259 F CB 0.546 39.574 39.000 0.047 0.000 1.189 259 F HN -0.025 8.275 8.300 -0.000 0.000 0.515 260 T N -1.970 112.752 114.554 0.279 0.000 2.828 260 T HA 0.107 4.456 4.350 -0.002 0.000 0.290 260 T C 0.774 175.587 174.700 0.189 0.000 1.019 260 T CA -0.702 61.509 62.100 0.185 0.000 1.031 260 T CB 0.771 69.737 68.868 0.163 0.000 1.001 260 T HN 0.478 8.718 8.240 -0.000 0.000 0.531 261 D N -0.051 120.458 120.400 0.181 0.000 2.144 261 D HA -0.074 4.565 4.640 -0.002 0.000 0.199 261 D C 1.883 178.391 176.300 0.345 0.000 0.984 261 D CA 0.716 54.863 54.000 0.245 0.000 0.834 261 D CB -0.284 40.624 40.800 0.180 0.000 0.955 261 D HN 0.426 8.796 8.370 -0.000 0.000 0.465 262 L N 1.104 122.515 121.223 0.313 0.000 2.141 262 L HA -0.118 4.220 4.340 -0.002 0.000 0.209 262 L C 1.888 178.758 176.870 -0.000 0.000 1.094 262 L CA 1.617 56.512 54.840 0.091 0.000 0.763 262 L CB -0.188 41.914 42.059 0.072 0.000 0.908 262 L HN -0.058 8.172 8.230 -0.000 0.000 0.437 263 E N -0.736 119.501 120.200 0.061 0.000 2.107 263 E HA -0.152 4.196 4.350 -0.002 0.000 0.191 263 E C 2.239 178.797 176.600 -0.070 0.000 0.982 263 E CA 1.210 57.608 56.400 -0.004 0.000 0.809 263 E CB -0.074 29.654 29.700 0.047 0.000 0.756 263 E HN 0.519 8.879 8.360 -0.000 0.000 0.459 264 I N 0.701 121.269 120.570 -0.003 0.000 2.202 264 I HA -0.247 3.922 4.170 -0.002 0.000 0.242 264 I C 2.346 178.452 176.117 -0.018 0.000 1.091 264 I CA 0.519 61.811 61.300 -0.013 0.000 1.368 264 I CB -0.087 37.945 38.000 0.052 0.000 1.058 264 I HN 0.145 8.355 8.210 -0.000 0.000 0.410 265 L N 1.103 122.310 121.223 -0.027 0.000 2.012 265 L HA -0.211 4.127 4.340 -0.002 0.000 0.210 265 L C 2.529 179.425 176.870 0.044 0.000 1.073 265 L CA 2.262 57.066 54.840 -0.059 0.000 0.748 265 L CB -0.782 41.125 42.059 -0.253 0.000 0.891 265 L HN 0.213 8.443 8.230 -0.000 0.000 0.431 266 A N -0.605 122.198 122.820 -0.028 0.000 1.902 266 A HA -0.091 4.228 4.320 -0.002 0.000 0.217 266 A C 2.440 180.096 177.584 0.119 0.000 1.181 266 A CA 1.896 53.952 52.037 0.031 0.000 0.623 266 A CB -1.203 17.784 19.000 -0.021 0.000 0.818 266 A HN 0.594 8.744 8.150 -0.000 0.000 0.443 267 A N -0.303 122.540 122.820 0.037 0.000 1.898 267 A HA -0.016 4.303 4.320 -0.002 0.000 0.216 267 A C 2.111 179.749 177.584 0.089 0.000 1.181 267 A CA 1.472 53.520 52.037 0.018 0.000 0.620 267 A CB -0.544 18.402 19.000 -0.090 0.000 0.819 267 A HN 0.486 8.636 8.150 -0.000 0.000 0.442 268 I N -2.064 118.593 120.570 0.146 0.000 2.286 268 I HA -0.168 4.001 4.170 -0.002 0.000 0.245 268 I C 2.288 178.604 176.117 0.332 0.000 1.104 268 I CA 1.190 62.627 61.300 0.230 0.000 1.397 268 I CB -0.317 37.839 38.000 0.259 0.000 1.072 268 I HN 0.398 8.608 8.210 -0.000 0.000 0.417 269 F N 1.940 122.042 119.950 0.253 0.000 2.126 269 F HA -0.279 4.247 4.527 -0.003 0.000 0.299 269 F C 2.452 178.350 175.800 0.164 0.000 1.096 269 F CA 1.419 59.567 58.000 0.247 0.000 1.255 269 F CB -0.430 38.737 39.000 0.278 0.000 0.997 269 F HN 0.022 8.322 8.300 -0.000 0.000 0.479 270 A N 0.329 123.249 122.820 0.168 0.000 1.877 270 A HA -0.076 4.243 4.320 -0.002 0.000 0.216 270 A C 2.460 180.066 177.584 0.037 0.000 1.186 270 A CA 1.978 54.054 52.037 0.066 0.000 0.620 270 A CB -1.614 17.459 19.000 0.120 0.000 0.822 270 A HN 0.507 8.657 8.150 -0.000 0.000 0.443 271 A N -0.060 122.781 122.820 0.034 0.000 1.883 271 A HA 0.091 4.410 4.320 -0.002 0.000 0.217 271 A C 2.538 180.186 177.584 0.107 0.000 1.186 271 A CA 2.403 54.435 52.037 -0.007 0.000 0.624 271 A CB -1.163 17.816 19.000 -0.034 0.000 0.822 271 A HN 1.170 9.320 8.150 -0.000 0.000 0.444 272 A N 0.249 123.095 122.820 0.043 0.000 1.940 272 A HA -0.088 4.231 4.320 -0.002 0.000 0.219 272 A C 2.052 179.659 177.584 0.038 0.000 1.176 272 A CA 1.688 53.733 52.037 0.015 0.000 0.631 272 A CB -0.749 18.252 19.000 0.002 0.000 0.814 272 A HN 1.102 9.252 8.150 -0.000 0.000 0.446 273 I N -3.686 116.832 120.570 -0.087 0.000 3.860 273 I HA 0.051 4.220 4.170 -0.002 0.000 0.319 273 I C 1.979 178.082 176.117 -0.023 0.000 1.279 273 I CA 0.768 62.002 61.300 -0.110 0.000 1.220 273 I CB -0.540 37.233 38.000 -0.379 0.000 1.027 273 I HN 0.472 8.682 8.210 -0.000 0.000 0.428 274 H N 0.865 119.928 119.070 -0.012 0.000 2.489 274 H HA -0.145 4.410 4.556 -0.002 0.000 0.295 274 H C 0.118 175.397 175.328 -0.082 0.000 1.082 274 H CA 1.645 57.713 56.048 0.034 0.000 1.295 274 H CB -0.204 29.598 29.762 0.067 0.000 1.380 274 H HN 0.409 8.689 8.280 -0.000 0.000 0.548 275 D N 0.943 120.880 120.400 -0.773 0.000 2.563 275 D HA 0.117 4.756 4.640 -0.002 0.000 0.237 275 D C -0.213 175.482 176.300 -1.009 0.000 1.282 275 D CA -0.279 53.084 54.000 -1.062 0.000 0.816 275 D CB 0.792 41.408 40.800 -0.307 0.000 1.066 275 D HN 0.118 8.488 8.370 -0.000 0.000 0.501 276 V N 1.439 120.764 119.914 -0.981 0.000 2.599 276 V HA 0.008 4.127 4.120 -0.002 0.000 0.300 276 V C 0.591 176.372 176.094 -0.522 0.000 1.034 276 V CA 0.719 62.296 62.300 -1.205 0.000 1.115 276 V CB 0.784 32.135 31.823 -0.786 0.000 0.934 276 V HN 0.357 8.547 8.190 -0.000 0.000 0.485 277 D N 3.255 123.360 120.400 -0.491 0.000 2.907 277 D HA -0.213 4.426 4.640 -0.002 0.000 0.226 277 D C 0.039 176.253 176.300 -0.143 0.000 1.141 277 D CA 1.165 55.064 54.000 -0.167 0.000 0.779 277 D CB -1.476 39.416 40.800 0.152 0.000 1.095 277 D HN 0.881 9.251 8.370 -0.000 0.000 0.430 278 H N -0.004 118.857 119.070 -0.347 0.000 2.848 278 H HA 0.187 4.743 4.556 -0.001 0.000 0.317 278 H C -1.517 173.667 175.328 -0.241 0.000 1.046 278 H CA -0.749 55.214 56.048 -0.142 0.000 1.470 278 H CB 1.305 30.976 29.762 -0.151 0.000 1.483 278 H HN 0.103 8.383 8.280 -0.000 0.000 0.548 279 P HA 0.086 4.506 4.420 -0.000 0.000 0.236 279 P C 0.647 178.098 177.300 0.253 0.000 1.177 279 P CA 1.269 64.500 63.100 0.218 0.000 0.773 279 P CB 0.604 32.383 31.700 0.132 0.000 0.878 280 G N -0.514 108.521 108.800 0.391 0.000 2.159 280 G HA2 -0.138 3.821 3.960 -0.002 0.000 0.227 280 G HA3 -0.138 3.821 3.960 -0.002 0.000 0.227 280 G C 0.011 174.961 174.900 0.084 0.000 0.986 280 G CA 0.033 45.239 45.100 0.177 0.000 0.651 280 G HN 0.559 8.849 8.290 -0.000 0.000 0.523 281 V N -1.671 118.290 119.914 0.077 0.000 3.040 281 V HA 0.966 5.085 4.120 -0.002 0.000 0.312 281 V C 0.494 176.599 176.094 0.019 0.000 1.115 281 V CA -0.082 62.139 62.300 -0.132 0.000 0.998 281 V CB 1.598 33.114 31.823 -0.512 0.000 1.042 281 V HN 1.380 9.570 8.190 -0.000 0.000 0.433 282 S N 1.483 117.176 115.700 -0.011 0.000 2.645 282 S HA 0.339 4.808 4.470 -0.002 0.000 0.266 282 S C 0.754 175.386 174.600 0.054 0.000 1.258 282 S CA -0.267 57.946 58.200 0.022 0.000 0.990 282 S CB 0.743 63.925 63.200 -0.029 0.000 0.967 282 S HN 0.803 9.113 8.310 -0.000 0.000 0.556 283 N N 0.864 119.574 118.700 0.016 0.000 2.061 283 N HA -0.161 4.578 4.740 -0.002 0.000 0.193 283 N C 1.708 177.242 175.510 0.040 0.000 1.030 283 N CA 1.605 54.661 53.050 0.010 0.000 0.856 283 N CB -0.816 37.667 38.487 -0.007 0.000 1.023 283 N HN 0.722 9.102 8.380 -0.000 0.000 0.424 284 Q N 0.163 119.988 119.800 0.041 0.000 2.135 284 Q HA -0.053 4.286 4.340 -0.002 0.000 0.204 284 Q C 1.835 177.868 176.000 0.056 0.000 0.981 284 Q CA 1.094 56.917 55.803 0.034 0.000 0.856 284 Q CB -0.608 28.142 28.738 0.020 0.000 0.902 284 Q HN 0.416 8.686 8.270 -0.000 0.000 0.425 285 F N -0.257 119.667 119.950 -0.044 0.000 2.102 285 F HA -0.134 4.392 4.527 -0.002 0.000 0.298 285 F C 1.615 177.399 175.800 -0.027 0.000 1.105 285 F CA 1.249 59.228 58.000 -0.034 0.000 1.239 285 F CB -0.248 38.731 39.000 -0.035 0.000 0.991 285 F HN 0.085 8.385 8.300 -0.000 0.000 0.474 286 L N -0.067 121.297 121.223 0.235 0.000 2.042 286 L HA -0.261 4.078 4.340 -0.002 0.000 0.210 286 L C 2.476 179.330 176.870 -0.026 0.000 1.076 286 L CA 1.547 56.451 54.840 0.107 0.000 0.749 286 L CB -0.698 41.415 42.059 0.089 0.000 0.893 286 L HN 0.216 8.446 8.230 -0.000 0.000 0.432 287 I N -0.275 120.279 120.570 -0.027 0.000 2.202 287 I HA -0.260 3.909 4.170 -0.002 0.000 0.242 287 I C 2.127 178.191 176.117 -0.089 0.000 1.091 287 I CA 1.055 62.328 61.300 -0.045 0.000 1.368 287 I CB -0.366 37.620 38.000 -0.023 0.000 1.058 287 I HN 0.311 8.521 8.210 -0.000 0.000 0.410 288 N N 0.354 118.977 118.700 -0.129 0.000 2.289 288 N HA -0.128 4.611 4.740 -0.002 0.000 0.184 288 N C 1.708 177.091 175.510 -0.211 0.000 1.016 288 N CA 1.872 54.826 53.050 -0.159 0.000 0.872 288 N CB -0.507 37.875 38.487 -0.175 0.000 0.973 288 N HN 0.460 8.841 8.380 -0.000 0.000 0.433 289 T N -2.306 112.067 114.554 -0.301 0.000 3.107 289 T HA 0.116 4.464 4.350 -0.002 0.000 0.249 289 T C 0.289 174.896 174.700 -0.155 0.000 1.096 289 T CA -0.338 61.588 62.100 -0.289 0.000 1.012 289 T CB -0.042 68.545 68.868 -0.468 0.000 0.977 289 T HN 0.035 8.275 8.240 -0.000 0.000 0.527 290 N N 2.077 120.707 118.700 -0.116 0.000 2.735 290 N HA -0.163 4.576 4.740 -0.002 0.000 0.248 290 N C 0.197 175.674 175.510 -0.056 0.000 1.083 290 N CA 1.030 54.037 53.050 -0.071 0.000 0.703 290 N CB -1.970 36.480 38.487 -0.061 0.000 1.005 290 N HN 0.903 9.283 8.380 -0.000 0.000 0.550 291 S N -0.593 115.077 115.700 -0.050 0.000 2.572 291 S HA 0.083 4.552 4.470 -0.002 0.000 0.267 291 S C 1.431 176.015 174.600 -0.027 0.000 1.361 291 S CA -0.278 57.909 58.200 -0.022 0.000 1.009 291 S CB 1.341 64.547 63.200 0.010 0.000 0.888 291 S HN 0.129 8.439 8.310 -0.000 0.000 0.553 292 E N 0.730 120.913 120.200 -0.028 0.000 2.110 292 E HA -0.086 4.263 4.350 -0.002 0.000 0.193 292 E C 1.951 178.514 176.600 -0.062 0.000 0.988 292 E CA 1.005 57.377 56.400 -0.046 0.000 0.804 292 E CB -0.514 29.160 29.700 -0.044 0.000 0.745 292 E HN 0.684 9.044 8.360 -0.000 0.000 0.458 293 L N 0.360 121.552 121.223 -0.052 0.000 2.046 293 L HA -0.156 4.183 4.340 -0.002 0.000 0.208 293 L C 2.499 179.394 176.870 0.042 0.000 1.077 293 L CA 1.148 55.974 54.840 -0.023 0.000 0.747 293 L CB -0.446 41.579 42.059 -0.056 0.000 0.896 293 L HN 0.074 8.304 8.230 -0.000 0.000 0.432 294 A N -0.074 122.756 122.820 0.017 0.000 1.898 294 A HA -0.125 4.194 4.320 -0.002 0.000 0.216 294 A C 2.216 179.800 177.584 0.001 0.000 1.181 294 A CA 1.103 53.156 52.037 0.026 0.000 0.620 294 A CB -0.564 18.437 19.000 0.001 0.000 0.819 294 A HN 0.339 8.489 8.150 -0.000 0.000 0.442 295 L N -1.284 119.919 121.223 -0.033 0.000 2.046 295 L HA -0.215 4.124 4.340 -0.002 0.000 0.208 295 L C 2.821 179.637 176.870 -0.091 0.000 1.077 295 L CA 1.978 56.787 54.840 -0.052 0.000 0.747 295 L CB -0.510 41.516 42.059 -0.055 0.000 0.896 295 L HN 0.615 8.845 8.230 -0.000 0.000 0.432 296 M N -0.849 118.658 119.600 -0.154 0.000 2.117 296 M HA -0.240 4.238 4.480 -0.002 0.000 0.262 296 M C 1.454 177.498 176.300 -0.427 0.000 1.065 296 M CA 1.949 57.052 55.300 -0.329 0.000 1.114 296 M CB -0.075 32.235 32.600 -0.484 0.000 1.361 296 M HN 0.078 8.368 8.290 -0.000 0.000 0.408 297 Y N 0.922 121.207 120.300 -0.025 0.000 2.524 297 Y HA 0.283 4.831 4.550 -0.002 0.000 0.266 297 Y C 0.315 176.202 175.900 -0.022 0.000 1.180 297 Y CA -0.532 57.554 58.100 -0.022 0.000 1.244 297 Y CB -0.443 38.000 38.460 -0.028 0.000 1.125 297 Y HN 0.372 8.652 8.280 -0.000 0.000 0.524 298 N N 1.397 120.134 118.700 0.062 0.000 2.727 298 N HA -0.251 4.488 4.740 -0.002 0.000 0.249 298 N C -0.527 175.009 175.510 0.043 0.000 1.048 298 N CA 1.377 54.450 53.050 0.038 0.000 0.714 298 N CB -1.061 37.444 38.487 0.030 0.000 0.959 298 N HN 0.504 8.884 8.380 -0.000 0.000 0.544 299 D N -2.204 118.224 120.400 0.047 0.000 3.006 299 D HA -0.225 4.414 4.640 -0.002 0.000 0.208 299 D C 0.216 176.532 176.300 0.026 0.000 1.116 299 D CA 1.814 55.832 54.000 0.029 0.000 0.998 299 D CB -0.727 40.080 40.800 0.011 0.000 1.124 299 D HN 0.688 9.058 8.370 -0.000 0.000 0.413 300 E N 0.258 120.481 120.200 0.039 0.000 2.134 300 E HA 0.464 4.813 4.350 -0.002 0.000 0.278 300 E C -0.323 176.267 176.600 -0.017 0.000 0.959 300 E CA -0.407 56.002 56.400 0.016 0.000 0.783 300 E CB 0.772 30.486 29.700 0.023 0.000 1.095 300 E HN 0.048 8.408 8.360 -0.000 0.000 0.399 301 S N 2.730 118.407 115.700 -0.038 0.000 3.317 301 S HA -0.174 4.295 4.470 -0.002 0.000 0.358 301 S C 1.290 175.791 174.600 -0.166 0.000 0.945 301 S CA 0.443 58.594 58.200 -0.083 0.000 1.279 301 S CB -1.442 61.710 63.200 -0.081 0.000 0.905 301 S HN 0.480 8.790 8.310 -0.000 0.000 0.507 302 V N 0.814 120.658 119.914 -0.118 0.000 2.231 302 V HA -0.275 3.844 4.120 -0.002 0.000 0.248 302 V C 2.242 178.167 176.094 -0.282 0.000 1.054 302 V CA 2.566 64.791 62.300 -0.126 0.000 1.015 302 V CB -0.513 31.300 31.823 -0.017 0.000 0.638 302 V HN 0.700 8.890 8.190 -0.000 0.000 0.444 303 L N -0.602 120.444 121.223 -0.294 0.000 2.093 303 L HA -0.170 4.169 4.340 -0.002 0.000 0.208 303 L C 2.563 178.936 176.870 -0.829 0.000 1.085 303 L CA 1.430 55.956 54.840 -0.524 0.000 0.755 303 L CB -0.587 41.179 42.059 -0.487 0.000 0.904 303 L HN 0.311 8.541 8.230 -0.000 0.000 0.435 304 E N -0.123 119.800 120.200 -0.461 0.000 2.072 304 E HA -0.147 4.202 4.350 -0.002 0.000 0.191 304 E C 2.018 178.439 176.600 -0.299 0.000 0.985 304 E CA 0.782 57.016 56.400 -0.277 0.000 0.801 304 E CB -0.220 29.440 29.700 -0.067 0.000 0.750 304 E HN 0.330 8.690 8.360 -0.000 0.000 0.452 305 N N 0.019 118.467 118.700 -0.421 0.000 2.120 305 N HA -0.195 4.544 4.740 -0.002 0.000 0.188 305 N C 1.813 177.017 175.510 -0.510 0.000 1.024 305 N CA 1.306 54.033 53.050 -0.538 0.000 0.852 305 N CB -0.255 37.642 38.487 -0.982 0.000 1.003 305 N HN 0.267 8.647 8.380 -0.000 0.000 0.424 306 H N 0.745 119.416 119.070 -0.666 0.000 2.357 306 H HA -0.051 4.504 4.556 -0.002 0.000 0.301 306 H C 1.806 177.048 175.328 -0.144 0.000 1.082 306 H CA 1.717 57.599 56.048 -0.277 0.000 1.342 306 H CB -0.078 29.575 29.762 -0.181 0.000 1.389 306 H HN 0.292 8.572 8.280 -0.000 0.000 0.511 307 H N -0.015 118.948 119.070 -0.178 0.000 2.352 307 H HA -0.111 4.444 4.556 -0.001 0.000 0.299 307 H C 2.603 177.849 175.328 -0.137 0.000 1.097 307 H CA 1.445 57.367 56.048 -0.211 0.000 1.311 307 H CB -0.603 29.079 29.762 -0.133 0.000 1.377 307 H HN 0.363 8.643 8.280 -0.000 0.000 0.504 308 L N 0.093 121.354 121.223 0.062 0.000 2.046 308 L HA -0.130 4.209 4.340 -0.002 0.000 0.208 308 L C 2.818 179.822 176.870 0.222 0.000 1.077 308 L CA 0.948 55.898 54.840 0.183 0.000 0.747 308 L CB -0.454 41.695 42.059 0.150 0.000 0.896 308 L HN 0.240 8.470 8.230 -0.000 0.000 0.432 309 A N -0.470 122.395 122.820 0.075 0.000 1.877 309 A HA -0.156 4.163 4.320 -0.002 0.000 0.216 309 A C 2.290 179.905 177.584 0.052 0.000 1.186 309 A CA 1.843 53.941 52.037 0.102 0.000 0.620 309 A CB -0.830 18.254 19.000 0.141 0.000 0.822 309 A HN 0.195 8.345 8.150 -0.000 0.000 0.443 310 V N -0.045 119.796 119.914 -0.122 0.000 2.343 310 V HA -0.166 3.953 4.120 -0.002 0.000 0.247 310 V C 2.821 178.855 176.094 -0.101 0.000 1.051 310 V CA 1.937 64.138 62.300 -0.165 0.000 1.036 310 V CB -1.506 30.135 31.823 -0.303 0.000 0.654 310 V HN 0.611 8.801 8.190 -0.000 0.000 0.451 311 G N -0.954 107.813 108.800 -0.055 0.000 2.422 311 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.218 311 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.218 311 G C 1.476 176.421 174.900 0.075 0.000 1.146 311 G CA 0.742 45.822 45.100 -0.032 0.000 0.769 311 G HN 0.472 8.762 8.290 -0.000 0.000 0.547 312 F N 0.483 120.536 119.950 0.172 0.000 2.293 312 F HA 0.221 4.748 4.527 -0.000 0.000 0.297 312 F C 2.555 178.432 175.800 0.128 0.000 1.089 312 F CA 0.885 59.003 58.000 0.196 0.000 1.377 312 F CB 0.131 39.224 39.000 0.153 0.000 1.051 312 F HN -0.044 8.256 8.300 -0.000 0.000 0.511 313 K N 0.841 121.367 120.400 0.210 0.000 2.147 313 K HA -0.098 4.221 4.320 -0.002 0.000 0.205 313 K C 1.873 178.517 176.600 0.074 0.000 1.049 313 K CA 1.055 57.413 56.287 0.118 0.000 0.936 313 K CB -0.478 32.059 32.500 0.062 0.000 0.722 313 K HN 0.314 8.564 8.250 -0.000 0.000 0.446 314 L N 0.752 122.003 121.223 0.048 0.000 2.376 314 L HA -0.085 4.254 4.340 -0.002 0.000 0.219 314 L C 2.022 178.998 176.870 0.178 0.000 1.133 314 L CA 0.346 55.196 54.840 0.018 0.000 0.816 314 L CB -0.195 41.748 42.059 -0.193 0.000 0.933 314 L HN 0.086 8.316 8.230 -0.000 0.000 0.449 315 L N -0.706 120.637 121.223 0.200 0.000 2.552 315 L HA -0.070 4.269 4.340 -0.002 0.000 0.227 315 L C 2.357 179.255 176.870 0.046 0.000 1.146 315 L CA 0.299 55.183 54.840 0.074 0.000 0.858 315 L CB -0.245 41.837 42.059 0.037 0.000 0.969 315 L HN 0.330 8.560 8.230 -0.000 0.000 0.451 316 Q N 0.200 120.038 119.800 0.063 0.000 2.378 316 Q HA 0.001 4.340 4.340 -0.002 0.000 0.205 316 Q C 0.196 176.213 176.000 0.028 0.000 0.954 316 Q CA 0.591 56.426 55.803 0.053 0.000 0.901 316 Q CB 0.242 29.021 28.738 0.068 0.000 0.981 316 Q HN 0.533 8.803 8.270 -0.000 0.000 0.483 317 E N 0.849 121.043 120.200 -0.010 0.000 2.200 317 E HA 0.041 4.389 4.350 -0.002 0.000 0.283 317 E C 0.361 176.933 176.600 -0.046 0.000 1.015 317 E CA -0.176 56.216 56.400 -0.013 0.000 0.819 317 E CB 0.902 30.581 29.700 -0.036 0.000 1.081 317 E HN 0.152 8.512 8.360 -0.000 0.000 0.397 318 E N 2.424 122.658 120.200 0.056 0.000 2.164 318 E HA -0.272 4.077 4.350 -0.002 0.000 0.206 318 E C 1.006 177.644 176.600 0.063 0.000 1.032 318 E CA 1.413 57.853 56.400 0.067 0.000 0.832 318 E CB -0.411 29.349 29.700 0.100 0.000 0.742 318 E HN 0.596 8.956 8.360 -0.000 0.000 0.460 322 I N -1.458 118.829 120.570 -0.472 0.000 3.176 322 I HA 0.113 4.282 4.170 -0.002 0.000 0.275 322 I C 0.328 176.172 176.117 -0.455 0.000 1.298 322 I CA 0.576 61.583 61.300 -0.488 0.000 1.445 322 I CB -0.289 37.300 38.000 -0.685 0.000 1.075 322 I HN 0.009 8.219 8.210 -0.000 0.000 0.482 323 F N 0.732 120.589 119.950 -0.155 0.000 2.653 323 F HA 0.353 4.879 4.527 -0.002 0.000 0.304 323 F C 1.944 177.710 175.800 -0.056 0.000 1.092 323 F CA -0.482 57.435 58.000 -0.138 0.000 1.279 323 F CB -0.276 38.591 39.000 -0.222 0.000 1.044 323 F HN 0.043 8.343 8.300 -0.000 0.000 0.564 324 M N 0.431 120.083 119.600 0.087 0.000 2.195 324 M HA -0.238 4.241 4.480 -0.002 0.000 0.260 324 M C 0.698 177.051 176.300 0.088 0.000 1.066 324 M CA 1.920 57.264 55.300 0.073 0.000 1.089 324 M CB -0.056 32.570 32.600 0.044 0.000 1.377 324 M HN -0.036 8.254 8.290 -0.000 0.000 0.411 325 N N 0.451 119.219 118.700 0.113 0.000 2.214 325 N HA 0.275 5.014 4.740 -0.002 0.000 0.214 325 N C -0.314 175.285 175.510 0.147 0.000 1.132 325 N CA 0.073 53.193 53.050 0.117 0.000 0.856 325 N CB 0.272 38.829 38.487 0.117 0.000 1.020 325 N HN 0.360 8.740 8.380 -0.000 0.000 0.509 326 L N 0.854 122.167 121.223 0.150 0.000 2.466 326 L HA 0.214 4.553 4.340 -0.002 0.000 0.257 326 L C 1.409 178.330 176.870 0.086 0.000 1.189 326 L CA -0.326 54.595 54.840 0.136 0.000 0.813 326 L CB 0.302 42.387 42.059 0.042 0.000 1.118 326 L HN 0.082 8.312 8.230 -0.000 0.000 0.471 327 T N -2.351 112.245 114.554 0.070 0.000 2.754 327 T HA 0.069 4.418 4.350 -0.002 0.000 0.286 327 T C 0.942 175.656 174.700 0.023 0.000 0.997 327 T CA -0.515 61.611 62.100 0.044 0.000 0.982 327 T CB 1.129 70.019 68.868 0.037 0.000 1.027 327 T HN 0.659 8.899 8.240 -0.000 0.000 0.529 328 K N 0.228 120.638 120.400 0.017 0.000 2.057 328 K HA -0.135 4.184 4.320 -0.002 0.000 0.207 328 K C 2.342 178.936 176.600 -0.011 0.000 1.049 328 K CA 1.349 57.639 56.287 0.005 0.000 0.931 328 K CB -0.205 32.298 32.500 0.006 0.000 0.714 328 K HN 0.682 8.932 8.250 -0.000 0.000 0.440 329 K N 0.677 121.071 120.400 -0.010 0.000 2.026 329 K HA -0.201 4.118 4.320 -0.002 0.000 0.208 329 K C 2.129 178.708 176.600 -0.036 0.000 1.048 329 K CA 1.698 57.971 56.287 -0.023 0.000 0.929 329 K CB 0.019 32.510 32.500 -0.015 0.000 0.713 329 K HN 0.237 8.487 8.250 -0.000 0.000 0.439 330 Q N -0.113 119.672 119.800 -0.024 0.000 2.135 330 Q HA -0.154 4.184 4.340 -0.002 0.000 0.204 330 Q C 2.213 178.148 176.000 -0.110 0.000 0.981 330 Q CA 1.410 57.185 55.803 -0.046 0.000 0.856 330 Q CB -0.021 28.714 28.738 -0.005 0.000 0.902 330 Q HN 0.274 8.544 8.270 -0.000 0.000 0.425 331 R N 0.390 120.833 120.500 -0.095 0.000 2.075 331 R HA -0.133 4.205 4.340 -0.002 0.000 0.232 331 R C 2.250 178.491 176.300 -0.098 0.000 1.126 331 R CA 1.263 57.290 56.100 -0.122 0.000 0.963 331 R CB -0.112 30.160 30.300 -0.047 0.000 0.858 331 R HN 0.401 8.671 8.270 -0.000 0.000 0.435 332 Q N -0.447 119.309 119.800 -0.073 0.000 2.050 332 Q HA -0.115 4.224 4.340 -0.002 0.000 0.202 332 Q C 2.060 178.008 176.000 -0.086 0.000 0.980 332 Q CA 1.975 57.734 55.803 -0.074 0.000 0.840 332 Q CB -0.146 28.553 28.738 -0.065 0.000 0.898 332 Q HN 0.288 8.558 8.270 -0.000 0.000 0.424 333 T N 1.852 116.350 114.554 -0.093 0.000 2.684 333 T HA -0.162 4.186 4.350 -0.002 0.000 0.267 333 T C 1.835 176.492 174.700 -0.071 0.000 1.036 333 T CA 1.141 63.183 62.100 -0.097 0.000 1.148 333 T CB -0.321 68.493 68.868 -0.090 0.000 0.863 333 T HN 0.234 8.474 8.240 -0.000 0.000 0.436 334 L N 0.661 121.813 121.223 -0.119 0.000 2.046 334 L HA -0.079 4.260 4.340 -0.002 0.000 0.208 334 L C 2.747 179.595 176.870 -0.037 0.000 1.077 334 L CA 1.594 56.342 54.840 -0.154 0.000 0.747 334 L CB -0.244 41.574 42.059 -0.402 0.000 0.896 334 L HN 0.094 8.324 8.230 -0.000 0.000 0.432 335 R N -0.003 120.481 120.500 -0.027 0.000 2.083 335 R HA -0.249 4.089 4.340 -0.002 0.000 0.237 335 R C 2.482 178.775 176.300 -0.011 0.000 1.137 335 R CA 2.058 58.166 56.100 0.013 0.000 0.951 335 R CB -0.256 29.965 30.300 -0.132 0.000 0.851 335 R HN 0.339 8.609 8.270 -0.000 0.000 0.434 336 K N 0.075 120.461 120.400 -0.025 0.000 2.057 336 K HA -0.156 4.163 4.320 -0.002 0.000 0.207 336 K C 2.092 178.738 176.600 0.077 0.000 1.049 336 K CA 1.805 58.095 56.287 0.004 0.000 0.931 336 K CB -0.019 32.470 32.500 -0.019 0.000 0.714 336 K HN 0.230 8.480 8.250 -0.000 0.000 0.440 337 M N 0.187 119.848 119.600 0.101 0.000 2.156 337 M HA -0.135 4.344 4.480 -0.002 0.000 0.264 337 M C 2.178 178.551 176.300 0.122 0.000 1.067 337 M CA 1.050 56.430 55.300 0.133 0.000 1.131 337 M CB -0.062 32.610 32.600 0.120 0.000 1.368 337 M HN -0.023 8.267 8.290 -0.000 0.000 0.416 338 V N 0.886 120.899 119.914 0.165 0.000 2.295 338 V HA -0.259 3.860 4.120 -0.002 0.000 0.246 338 V C 2.243 178.469 176.094 0.220 0.000 1.049 338 V CA 1.734 64.185 62.300 0.251 0.000 1.024 338 V CB -0.530 31.569 31.823 0.461 0.000 0.648 338 V HN 0.391 8.581 8.190 -0.000 0.000 0.447 339 I N 0.207 120.880 120.570 0.172 0.000 2.118 339 I HA -0.291 3.878 4.170 -0.002 0.000 0.241 339 I C 2.527 178.690 176.117 0.077 0.000 1.070 339 I CA 2.118 63.476 61.300 0.097 0.000 1.327 339 I CB -0.502 37.504 38.000 0.009 0.000 1.034 339 I HN 0.403 8.613 8.210 -0.000 0.000 0.405 340 D N 0.833 121.276 120.400 0.072 0.000 2.106 340 D HA -0.228 4.411 4.640 -0.002 0.000 0.191 340 D C 2.322 178.651 176.300 0.049 0.000 0.997 340 D CA 1.862 55.896 54.000 0.057 0.000 0.834 340 D CB -0.088 40.756 40.800 0.074 0.000 0.956 340 D HN 0.238 8.608 8.370 -0.000 0.000 0.448 341 M N -0.174 119.462 119.600 0.061 0.000 2.065 341 M HA -0.172 4.307 4.480 -0.002 0.000 0.259 341 M C 2.490 178.829 176.300 0.065 0.000 1.069 341 M CA 1.046 56.374 55.300 0.047 0.000 1.110 341 M CB -0.232 32.395 32.600 0.044 0.000 1.328 341 M HN -0.056 8.234 8.290 -0.000 0.000 0.405 342 V N 0.762 120.739 119.914 0.105 0.000 2.343 342 V HA -0.257 3.862 4.120 -0.002 0.000 0.247 342 V C 2.300 178.459 176.094 0.108 0.000 1.051 342 V CA 1.615 64.000 62.300 0.141 0.000 1.036 342 V CB -0.694 31.235 31.823 0.176 0.000 0.654 342 V HN 0.467 8.657 8.190 -0.000 0.000 0.451 343 L N 0.295 121.556 121.223 0.063 0.000 2.127 343 L HA -0.186 4.153 4.340 -0.002 0.000 0.211 343 L C 2.557 179.436 176.870 0.015 0.000 1.089 343 L CA 1.482 56.337 54.840 0.025 0.000 0.757 343 L CB -0.692 41.371 42.059 0.006 0.000 0.899 343 L HN 0.386 8.616 8.230 -0.000 0.000 0.434 344 A N -0.384 122.441 122.820 0.008 0.000 2.172 344 A HA -0.132 4.187 4.320 -0.002 0.000 0.216 344 A C 2.204 179.746 177.584 -0.070 0.000 1.154 344 A CA 1.567 53.576 52.037 -0.046 0.000 0.701 344 A CB -0.729 18.240 19.000 -0.050 0.000 0.789 344 A HN 0.524 8.674 8.150 -0.000 0.000 0.465 345 T N -2.589 111.994 114.554 0.049 0.000 3.148 345 T HA 0.032 4.381 4.350 -0.002 0.000 0.253 345 T C 0.407 175.195 174.700 0.147 0.000 1.134 345 T CA 0.355 62.542 62.100 0.144 0.000 1.051 345 T CB -0.385 68.654 68.868 0.286 0.000 0.959 345 T HN 0.281 8.521 8.240 -0.000 0.000 0.525 346 D N 1.328 121.771 120.400 0.071 0.000 2.358 346 D HA 0.097 4.736 4.640 -0.002 0.000 0.258 346 D C 1.215 177.552 176.300 0.062 0.000 1.223 346 D CA -0.392 53.648 54.000 0.066 0.000 0.886 346 D CB 0.644 41.458 40.800 0.024 0.000 1.120 346 D HN -0.043 8.327 8.370 -0.000 0.000 0.482 347 M N 2.519 122.190 119.600 0.117 0.000 2.267 347 M HA -0.163 4.316 4.480 -0.002 0.000 0.263 347 M C 1.978 178.357 176.300 0.132 0.000 1.063 347 M CA 0.891 56.282 55.300 0.151 0.000 1.090 347 M CB -1.061 31.639 32.600 0.166 0.000 1.392 347 M HN 0.541 8.831 8.290 -0.000 0.000 0.422 348 S N -0.280 115.471 115.700 0.085 0.000 2.474 348 S HA -0.082 4.387 4.470 -0.002 0.000 0.235 348 S C 1.501 176.135 174.600 0.058 0.000 0.997 348 S CA 0.710 58.951 58.200 0.070 0.000 0.949 348 S CB -0.113 63.112 63.200 0.043 0.000 0.766 348 S HN 0.319 8.629 8.310 -0.000 0.000 0.517 349 K N 0.465 120.888 120.400 0.037 0.000 2.367 349 K HA 0.159 4.478 4.320 -0.002 0.000 0.194 349 K C 1.460 178.049 176.600 -0.018 0.000 1.027 349 K CA 0.605 56.889 56.287 -0.005 0.000 1.075 349 K CB -0.642 31.830 32.500 -0.047 0.000 0.845 349 K HN 0.693 8.943 8.250 -0.000 0.000 0.529 350 H N 1.817 120.857 119.070 -0.049 0.000 2.289 350 H HA -0.083 4.471 4.556 -0.002 0.000 0.296 350 H C 1.828 177.184 175.328 0.046 0.000 1.091 350 H CA 2.152 58.201 56.048 0.001 0.000 1.274 350 H CB 0.154 30.005 29.762 0.148 0.000 1.364 350 H HN -0.108 8.172 8.280 -0.000 0.000 0.490 351 M N -0.088 119.470 119.600 -0.071 0.000 2.108 351 M HA -0.154 4.325 4.480 -0.002 0.000 0.261 351 M C 2.676 178.909 176.300 -0.112 0.000 1.066 351 M CA 1.739 56.972 55.300 -0.112 0.000 1.107 351 M CB -1.298 31.323 32.600 0.035 0.000 1.356 351 M HN 0.479 8.769 8.290 -0.000 0.000 0.406 352 S N 0.214 115.873 115.700 -0.069 0.000 2.406 352 S HA -0.087 4.382 4.470 -0.002 0.000 0.228 352 S C 1.880 176.435 174.600 -0.075 0.000 1.020 352 S CA 0.628 58.795 58.200 -0.055 0.000 0.965 352 S CB -0.076 63.105 63.200 -0.032 0.000 0.798 352 S HN 0.310 8.620 8.310 -0.000 0.000 0.488 353 L N 1.019 122.177 121.223 -0.109 0.000 2.109 353 L HA 0.215 4.554 4.340 -0.002 0.000 0.207 353 L C 2.178 178.992 176.870 -0.092 0.000 1.086 353 L CA 1.271 56.052 54.840 -0.098 0.000 0.760 353 L CB -0.880 41.099 42.059 -0.135 0.000 0.910 353 L HN 0.424 8.654 8.230 -0.000 0.000 0.437 354 L N -0.499 120.622 121.223 -0.169 0.000 2.027 354 L HA -0.034 4.305 4.340 -0.002 0.000 0.206 354 L C 2.486 179.307 176.870 -0.082 0.000 1.074 354 L CA 2.046 56.795 54.840 -0.153 0.000 0.745 354 L CB -1.118 40.767 42.059 -0.289 0.000 0.898 354 L HN 0.213 8.443 8.230 -0.000 0.000 0.433 355 A N -1.060 121.714 122.820 -0.076 0.000 1.902 355 A HA -0.226 4.093 4.320 -0.002 0.000 0.217 355 A C 2.081 179.645 177.584 -0.033 0.000 1.181 355 A CA 1.958 53.970 52.037 -0.042 0.000 0.623 355 A CB -0.791 18.189 19.000 -0.033 0.000 0.818 355 A HN 0.582 8.732 8.150 -0.000 0.000 0.443 356 D N -0.787 119.592 120.400 -0.035 0.000 2.224 356 D HA -0.069 4.570 4.640 -0.002 0.000 0.205 356 D C 1.756 178.043 176.300 -0.021 0.000 0.965 356 D CA 0.939 54.924 54.000 -0.026 0.000 0.852 356 D CB 0.038 40.824 40.800 -0.025 0.000 0.947 356 D HN 0.371 8.741 8.370 -0.000 0.000 0.494 357 L N 1.439 122.651 121.223 -0.019 0.000 2.156 357 L HA -0.066 4.273 4.340 -0.002 0.000 0.208 357 L C 1.977 178.835 176.870 -0.020 0.000 1.095 357 L CA 1.556 56.391 54.840 -0.007 0.000 0.770 357 L CB -0.175 41.894 42.059 0.016 0.000 0.914 357 L HN -0.233 7.997 8.230 -0.000 0.000 0.439 358 K N -1.269 119.117 120.400 -0.023 0.000 2.057 358 K HA -0.102 4.217 4.320 -0.002 0.000 0.206 358 K C 1.851 178.435 176.600 -0.027 0.000 1.050 358 K CA 1.759 58.031 56.287 -0.025 0.000 0.935 358 K CB -0.217 32.271 32.500 -0.019 0.000 0.715 358 K HN 0.338 8.588 8.250 -0.000 0.000 0.439 359 T N 1.392 115.931 114.554 -0.024 0.000 2.833 359 T HA -0.167 4.182 4.350 -0.002 0.000 0.269 359 T C 1.677 176.359 174.700 -0.029 0.000 1.054 359 T CA 1.315 63.401 62.100 -0.023 0.000 1.135 359 T CB -0.076 68.780 68.868 -0.020 0.000 0.869 359 T HN 0.256 8.496 8.240 -0.000 0.000 0.466 360 M N 0.729 120.309 119.600 -0.033 0.000 2.200 360 M HA -0.044 4.435 4.480 -0.002 0.000 0.265 360 M C 2.013 178.279 176.300 -0.057 0.000 1.066 360 M CA 1.290 56.565 55.300 -0.042 0.000 1.127 360 M CB -0.160 32.415 32.600 -0.040 0.000 1.379 360 M HN 0.034 8.324 8.290 -0.000 0.000 0.420 361 V N 0.732 120.610 119.914 -0.060 0.000 2.358 361 V HA -0.244 3.875 4.120 -0.002 0.000 0.246 361 V C 2.023 178.083 176.094 -0.057 0.000 1.047 361 V CA 2.149 64.406 62.300 -0.072 0.000 1.035 361 V CB -0.889 30.892 31.823 -0.071 0.000 0.658 361 V HN 0.528 8.718 8.190 -0.000 0.000 0.452 362 E N 0.537 120.711 120.200 -0.043 0.000 2.085 362 E HA -0.205 4.143 4.350 -0.002 0.000 0.194 362 E C 2.026 178.605 176.600 -0.036 0.000 0.994 362 E CA 1.921 58.300 56.400 -0.035 0.000 0.801 362 E CB -0.235 29.449 29.700 -0.026 0.000 0.743 362 E HN 0.778 9.138 8.360 -0.000 0.000 0.453 363 T N -1.168 113.364 114.554 -0.037 0.000 3.163 363 T HA 0.102 4.451 4.350 -0.002 0.000 0.252 363 T C 0.580 175.253 174.700 -0.045 0.000 1.056 363 T CA -0.469 61.609 62.100 -0.036 0.000 0.947 363 T CB 0.163 69.012 68.868 -0.030 0.000 1.016 363 T HN -0.119 8.121 8.240 -0.000 0.000 0.554 364 K N 1.865 122.232 120.400 -0.055 0.000 2.550 364 K HA 0.014 4.333 4.320 -0.002 0.000 0.280 364 K C -0.847 175.715 176.600 -0.063 0.000 0.987 364 K CA 0.550 56.796 56.287 -0.069 0.000 1.048 364 K CB 0.314 32.763 32.500 -0.084 0.000 0.879 364 K HN 0.225 8.475 8.250 -0.000 0.000 0.491 365 K N 2.955 123.315 120.400 -0.067 0.000 2.502 365 K HA 0.228 4.547 4.320 -0.002 0.000 0.254 365 K C -1.233 175.325 176.600 -0.070 0.000 0.947 365 K CA -0.655 55.596 56.287 -0.060 0.000 0.834 365 K CB 2.071 34.540 32.500 -0.052 0.000 1.112 365 K HN 0.408 8.658 8.250 -0.000 0.000 0.427 366 V N 2.402 122.276 119.914 -0.067 0.000 2.409 366 V HA 0.539 4.658 4.120 -0.002 0.000 0.291 366 V C 0.199 176.258 176.094 -0.059 0.000 1.020 366 V CA -0.313 61.944 62.300 -0.072 0.000 0.848 366 V CB 1.212 32.988 31.823 -0.078 0.000 0.990 366 V HN 0.907 9.097 8.190 -0.000 0.000 0.430 367 T N 3.253 117.771 114.554 -0.059 0.000 2.640 367 T HA 0.114 4.463 4.350 -0.002 0.000 0.316 367 T C 1.531 176.205 174.700 -0.043 0.000 1.036 367 T CA 0.418 62.489 62.100 -0.049 0.000 1.009 367 T CB 0.446 69.285 68.868 -0.049 0.000 1.017 367 T HN 1.517 9.757 8.240 -0.000 0.000 0.530 368 S N 0.154 115.832 115.700 -0.036 0.000 2.419 368 S HA -0.138 4.331 4.470 -0.002 0.000 0.233 368 S C 2.089 176.670 174.600 -0.032 0.000 1.016 368 S CA 0.970 59.151 58.200 -0.032 0.000 0.974 368 S CB -1.105 62.079 63.200 -0.027 0.000 0.786 368 S HN 0.959 9.269 8.310 -0.000 0.000 0.492 369 S N 0.626 116.305 115.700 -0.035 0.000 2.522 369 S HA 0.416 4.884 4.470 -0.002 0.000 0.227 369 S C 1.578 176.155 174.600 -0.039 0.000 0.986 369 S CA 0.361 58.540 58.200 -0.035 0.000 0.929 369 S CB -0.566 62.612 63.200 -0.036 0.000 0.769 369 S HN 1.444 9.754 8.310 -0.000 0.000 0.529 370 G N -0.018 108.754 108.800 -0.046 0.000 2.131 370 G HA2 -0.180 3.778 3.960 -0.002 0.000 0.223 370 G HA3 -0.180 3.778 3.960 -0.002 0.000 0.223 370 G C -0.124 174.737 174.900 -0.064 0.000 0.990 370 G CA 0.041 45.110 45.100 -0.051 0.000 0.671 370 G HN 0.705 8.995 8.290 -0.000 0.000 0.521 371 V N 0.359 120.231 119.914 -0.070 0.000 2.994 371 V HA 0.781 4.900 4.120 -0.002 0.000 0.318 371 V C 0.793 176.825 176.094 -0.103 0.000 1.085 371 V CA -1.098 61.149 62.300 -0.089 0.000 0.998 371 V CB 1.803 33.574 31.823 -0.087 0.000 1.063 371 V HN 0.326 8.516 8.190 -0.000 0.000 0.447 372 L N 3.606 124.750 121.223 -0.131 0.000 2.417 372 L HA 0.339 4.678 4.340 -0.002 0.000 0.268 372 L C -0.447 176.342 176.870 -0.134 0.000 1.158 372 L CA -0.168 54.589 54.840 -0.138 0.000 0.819 372 L CB 1.025 42.981 42.059 -0.171 0.000 1.112 372 L HN 0.469 8.699 8.230 -0.000 0.000 0.458 373 L N 4.550 125.707 121.223 -0.110 0.000 2.262 373 L HA 0.403 4.742 4.340 -0.002 0.000 0.288 373 L C -0.778 176.035 176.870 -0.094 0.000 1.035 373 L CA 0.249 55.032 54.840 -0.094 0.000 0.820 373 L CB 0.517 42.535 42.059 -0.069 0.000 1.204 373 L HN 0.409 8.639 8.230 -0.000 0.000 0.424 374 L N 5.237 126.397 121.223 -0.105 0.000 2.433 374 L HA 0.335 4.674 4.340 -0.002 0.000 0.256 374 L C 0.141 176.980 176.870 -0.051 0.000 1.063 374 L CA -0.444 54.345 54.840 -0.085 0.000 0.922 374 L CB 1.087 43.074 42.059 -0.120 0.000 1.238 374 L HN 0.494 8.724 8.230 -0.000 0.000 0.466 375 D N 1.347 121.728 120.400 -0.031 0.000 2.348 375 D HA -0.049 4.590 4.640 -0.002 0.000 0.216 375 D C 0.236 176.546 176.300 0.016 0.000 0.970 375 D CA 0.947 54.941 54.000 -0.010 0.000 0.889 375 D CB 0.174 40.968 40.800 -0.011 0.000 0.912 375 D HN 0.631 9.001 8.370 -0.000 0.000 0.524 376 N N -2.280 116.435 118.700 0.026 0.000 2.647 376 N HA 0.099 4.838 4.740 -0.002 0.000 0.266 376 N C 0.246 175.811 175.510 0.093 0.000 1.373 376 N CA -0.871 52.219 53.050 0.067 0.000 0.807 376 N CB 0.566 39.088 38.487 0.058 0.000 1.513 376 N HN -0.249 8.131 8.380 -0.000 0.000 0.505 377 Y N 0.743 121.063 120.300 0.032 0.000 2.128 377 Y HA -0.213 4.336 4.550 -0.002 0.000 0.284 377 Y C 1.804 177.733 175.900 0.048 0.000 1.154 377 Y CA 2.470 60.597 58.100 0.045 0.000 1.149 377 Y CB -0.734 37.746 38.460 0.033 0.000 0.976 377 Y HN 0.653 8.933 8.280 -0.000 0.000 0.505 378 T N 0.364 114.873 114.554 -0.075 0.000 2.699 378 T HA -0.216 4.133 4.350 -0.002 0.000 0.268 378 T C 1.351 175.955 174.700 -0.160 0.000 1.036 378 T CA 1.775 63.789 62.100 -0.144 0.000 1.147 378 T CB -0.387 68.481 68.868 -0.001 0.000 0.862 378 T HN 0.402 8.642 8.240 -0.000 0.000 0.446 379 D N 0.409 120.756 120.400 -0.089 0.000 2.123 379 D HA 0.030 4.669 4.640 -0.002 0.000 0.200 379 D C 2.457 178.733 176.300 -0.040 0.000 0.976 379 D CA 0.746 54.713 54.000 -0.056 0.000 0.831 379 D CB -0.165 40.614 40.800 -0.036 0.000 0.974 379 D HN 0.311 8.681 8.370 -0.000 0.000 0.469 380 R N 0.064 120.539 120.500 -0.041 0.000 2.070 380 R HA -0.079 4.260 4.340 -0.002 0.000 0.233 380 R C 2.241 178.575 176.300 0.056 0.000 1.137 380 R CA 0.663 56.832 56.100 0.114 0.000 0.945 380 R CB -0.435 29.981 30.300 0.193 0.000 0.845 380 R HN 0.134 8.404 8.270 -0.000 0.000 0.430 381 I N 1.555 121.985 120.570 -0.232 0.000 2.454 381 I HA -0.256 3.913 4.170 -0.002 0.000 0.254 381 I C 2.408 178.459 176.117 -0.110 0.000 1.156 381 I CA 1.429 62.584 61.300 -0.243 0.000 1.433 381 I CB -0.309 37.386 38.000 -0.509 0.000 1.082 381 I HN 0.182 8.392 8.210 -0.000 0.000 0.432 382 Q N -0.457 119.291 119.800 -0.087 0.000 2.119 382 Q HA -0.138 4.201 4.340 -0.002 0.000 0.201 382 Q C 2.099 178.129 176.000 0.050 0.000 0.972 382 Q CA 1.923 57.712 55.803 -0.023 0.000 0.847 382 Q CB -0.002 28.720 28.738 -0.027 0.000 0.903 382 Q HN 0.392 8.662 8.270 -0.000 0.000 0.433 383 V N 1.023 121.001 119.914 0.107 0.000 2.307 383 V HA -0.253 3.865 4.120 -0.002 0.000 0.245 383 V C 2.328 178.561 176.094 0.232 0.000 1.045 383 V CA 1.491 63.932 62.300 0.236 0.000 1.024 383 V CB -0.525 31.482 31.823 0.306 0.000 0.651 383 V HN 0.394 8.584 8.190 -0.000 0.000 0.449 384 L N -0.596 120.688 121.223 0.102 0.000 2.042 384 L HA -0.201 4.138 4.340 -0.002 0.000 0.210 384 L C 2.793 179.645 176.870 -0.030 0.000 1.076 384 L CA 1.683 56.492 54.840 -0.052 0.000 0.749 384 L CB -0.689 41.258 42.059 -0.187 0.000 0.893 384 L HN 0.227 8.457 8.230 -0.000 0.000 0.432 385 R N -0.004 120.492 120.500 -0.008 0.000 2.083 385 R HA -0.147 4.192 4.340 -0.002 0.000 0.237 385 R C 2.103 178.409 176.300 0.009 0.000 1.137 385 R CA 1.536 57.632 56.100 -0.005 0.000 0.951 385 R CB -0.413 29.882 30.300 -0.008 0.000 0.851 385 R HN 0.496 8.766 8.270 -0.000 0.000 0.434 386 N N 0.464 119.187 118.700 0.040 0.000 2.270 386 N HA -0.144 4.595 4.740 -0.002 0.000 0.181 386 N C 1.788 177.191 175.510 -0.177 0.000 1.016 386 N CA 0.891 53.964 53.050 0.039 0.000 0.870 386 N CB -0.014 38.565 38.487 0.153 0.000 0.979 386 N HN 0.262 8.642 8.380 -0.000 0.000 0.431 387 M N 0.803 120.283 119.600 -0.200 0.000 2.077 387 M HA -0.105 4.374 4.480 -0.002 0.000 0.261 387 M C 1.828 177.923 176.300 -0.341 0.000 1.070 387 M CA 1.319 56.324 55.300 -0.492 0.000 1.125 387 M CB 0.027 32.508 32.600 -0.198 0.000 1.339 387 M HN -0.173 8.117 8.290 -0.000 0.000 0.409 388 V N 0.107 119.918 119.914 -0.173 0.000 2.407 388 V HA -0.286 3.833 4.120 -0.002 0.000 0.248 388 V C 2.410 178.439 176.094 -0.108 0.000 1.055 388 V CA 2.277 64.494 62.300 -0.138 0.000 1.049 388 V CB -1.334 30.431 31.823 -0.095 0.000 0.662 388 V HN 0.626 8.816 8.190 -0.000 0.000 0.455 389 H N -0.353 118.609 119.070 -0.180 0.000 2.357 389 H HA -0.159 4.397 4.556 -0.001 0.000 0.301 389 H C 2.226 177.436 175.328 -0.196 0.000 1.082 389 H CA 2.100 58.071 56.048 -0.128 0.000 1.342 389 H CB -0.617 29.098 29.762 -0.078 0.000 1.389 389 H HN 0.414 8.694 8.280 -0.000 0.000 0.511 390 C N 0.462 119.462 119.300 -0.500 0.000 2.429 390 C HA 0.033 4.492 4.460 -0.002 0.000 0.277 390 C C 3.114 177.975 174.990 -0.216 0.000 1.262 390 C CA 0.965 59.520 59.018 -0.772 0.000 1.733 390 C CB -1.319 25.498 27.740 -1.539 0.000 2.010 390 C HN 0.775 9.005 8.230 -0.000 0.000 0.483 391 A N 0.404 123.137 122.820 -0.145 0.000 1.933 391 A HA -0.236 4.083 4.320 -0.002 0.000 0.218 391 A C 1.886 179.449 177.584 -0.035 0.000 1.175 391 A CA 2.287 54.330 52.037 0.009 0.000 0.628 391 A CB -0.665 18.296 19.000 -0.064 0.000 0.814 391 A HN 0.554 8.704 8.150 -0.000 0.000 0.444 392 D N -0.275 120.084 120.400 -0.067 0.000 2.144 392 D HA -0.057 4.582 4.640 -0.002 0.000 0.200 392 D C 1.076 177.447 176.300 0.120 0.000 0.978 392 D CA 0.864 54.890 54.000 0.045 0.000 0.833 392 D CB -0.117 40.753 40.800 0.118 0.000 0.961 392 D HN 0.397 8.767 8.370 -0.000 0.000 0.470 393 L N 0.509 121.762 121.223 0.050 0.000 3.034 393 L HA 0.219 4.558 4.340 -0.002 0.000 0.245 393 L C 1.278 178.297 176.870 0.249 0.000 1.295 393 L CA -0.072 54.827 54.840 0.098 0.000 1.068 393 L CB 0.273 42.296 42.059 -0.060 0.000 1.426 393 L HN -0.012 8.218 8.230 -0.000 0.000 0.531 394 S N -3.176 112.658 115.700 0.223 0.000 2.548 394 S HA -0.001 4.468 4.470 -0.002 0.000 0.215 394 S C 1.201 175.772 174.600 -0.049 0.000 0.976 394 S CA -0.131 58.209 58.200 0.234 0.000 0.908 394 S CB -0.259 63.120 63.200 0.297 0.000 0.781 394 S HN 0.519 8.829 8.310 -0.000 0.000 0.519 395 N N 2.994 121.628 118.700 -0.110 0.000 2.094 395 N HA -0.063 4.676 4.740 -0.002 0.000 0.191 395 N C -1.313 174.019 175.510 -0.295 0.000 1.023 395 N CA 1.479 54.441 53.050 -0.146 0.000 0.857 395 N CB -0.895 37.562 38.487 -0.049 0.000 1.013 395 N HN 0.434 8.814 8.380 -0.000 0.000 0.426 396 P HA -0.057 4.363 4.420 -0.000 0.000 0.230 396 P C 0.996 177.995 177.300 -0.501 0.000 1.158 396 P CA 1.164 63.575 63.100 -1.148 0.000 0.769 396 P CB -0.048 31.212 31.700 -0.733 0.000 0.807 397 T N -5.147 109.225 114.554 -0.303 0.000 3.081 397 T HA 0.135 4.484 4.350 -0.002 0.000 0.250 397 T C 0.924 175.673 174.700 0.082 0.000 1.100 397 T CA 0.005 62.001 62.100 -0.174 0.000 1.038 397 T CB -0.213 68.422 68.868 -0.387 0.000 0.962 397 T HN -0.138 8.102 8.240 -0.000 0.000 0.516 398 K N 2.789 123.200 120.400 0.018 0.000 2.117 398 K HA 0.390 4.708 4.320 -0.002 0.000 0.240 398 K C 0.723 177.378 176.600 0.092 0.000 1.031 398 K CA -0.207 56.103 56.287 0.038 0.000 0.909 398 K CB 0.794 33.301 32.500 0.013 0.000 1.097 398 K HN 0.475 8.725 8.250 -0.000 0.000 0.492 399 S N 0.311 116.058 115.700 0.078 0.000 2.563 399 S HA -0.058 4.411 4.470 -0.002 0.000 0.284 399 S C 1.390 176.022 174.600 0.054 0.000 1.331 399 S CA -0.502 57.729 58.200 0.052 0.000 1.047 399 S CB 0.307 63.518 63.200 0.019 0.000 0.859 399 S HN 0.534 8.844 8.310 -0.000 0.000 0.514 400 L N 1.948 123.167 121.223 -0.007 0.000 2.064 400 L HA -0.192 4.147 4.340 -0.002 0.000 0.216 400 L C 2.586 179.349 176.870 -0.179 0.000 1.077 400 L CA 2.604 57.381 54.840 -0.105 0.000 0.766 400 L CB -1.186 40.668 42.059 -0.342 0.000 0.890 400 L HN 1.043 9.273 8.230 -0.000 0.000 0.435 401 E N -0.883 119.207 120.200 -0.184 0.000 2.110 401 E HA -0.234 4.115 4.350 -0.002 0.000 0.193 401 E C 2.181 178.655 176.600 -0.210 0.000 0.988 401 E CA 1.464 57.733 56.400 -0.218 0.000 0.804 401 E CB -0.187 29.400 29.700 -0.189 0.000 0.745 401 E HN 0.637 8.997 8.360 -0.000 0.000 0.458 402 L N -0.016 121.153 121.223 -0.089 0.000 2.023 402 L HA -0.148 4.191 4.340 -0.002 0.000 0.205 402 L C 2.667 179.609 176.870 0.121 0.000 1.073 402 L CA 1.091 55.899 54.840 -0.052 0.000 0.745 402 L CB -0.695 41.454 42.059 0.150 0.000 0.900 402 L HN 0.248 8.478 8.230 -0.000 0.000 0.435 403 Y N 1.575 121.963 120.300 0.146 0.000 2.151 403 Y HA -0.295 4.254 4.550 -0.002 0.000 0.284 403 Y C 2.661 178.694 175.900 0.221 0.000 1.166 403 Y CA 1.582 59.851 58.100 0.282 0.000 1.163 403 Y CB -0.482 38.109 38.460 0.219 0.000 0.974 403 Y HN 0.046 8.326 8.280 -0.000 0.000 0.511 404 R N -0.283 120.211 120.500 -0.010 0.000 2.115 404 R HA -0.166 4.173 4.340 -0.002 0.000 0.230 404 R C 2.352 178.609 176.300 -0.073 0.000 1.111 404 R CA 1.627 57.664 56.100 -0.105 0.000 0.976 404 R CB -0.278 29.877 30.300 -0.242 0.000 0.870 404 R HN 0.498 8.768 8.270 -0.000 0.000 0.445 405 Q N -0.842 118.837 119.800 -0.202 0.000 2.079 405 Q HA -0.163 4.176 4.340 -0.002 0.000 0.200 405 Q C 1.681 177.637 176.000 -0.073 0.000 0.974 405 Q CA 1.452 57.053 55.803 -0.338 0.000 0.840 405 Q CB -0.069 28.111 28.738 -0.928 0.000 0.898 405 Q HN 0.459 8.729 8.270 -0.000 0.000 0.430 406 W N 0.191 121.590 121.300 0.166 0.000 2.363 406 W HA -0.162 4.497 4.660 -0.001 0.000 0.296 406 W C 2.365 179.003 176.519 0.197 0.000 1.212 406 W CA 0.977 58.492 57.345 0.284 0.000 1.260 406 W CB -0.147 29.539 29.460 0.377 0.000 1.131 406 W HN 0.090 8.270 8.180 -0.000 0.000 0.530 407 T N -0.033 114.718 114.554 0.328 0.000 2.746 407 T HA -0.198 4.151 4.350 -0.002 0.000 0.267 407 T C 1.079 175.778 174.700 -0.001 0.000 1.039 407 T CA 1.714 63.868 62.100 0.090 0.000 1.142 407 T CB -0.519 68.355 68.868 0.009 0.000 0.866 407 T HN 0.026 8.266 8.240 -0.000 0.000 0.444 408 D N 0.875 121.291 120.400 0.026 0.000 2.149 408 D HA -0.061 4.578 4.640 -0.002 0.000 0.198 408 D C 2.380 178.676 176.300 -0.007 0.000 0.990 408 D CA 0.997 54.991 54.000 -0.011 0.000 0.839 408 D CB -0.181 40.605 40.800 -0.023 0.000 0.948 408 D HN 0.337 8.707 8.370 -0.000 0.000 0.460 409 R N -0.242 120.307 120.500 0.082 0.000 2.066 409 R HA -0.044 4.295 4.340 -0.002 0.000 0.232 409 R C 2.290 178.639 176.300 0.082 0.000 1.131 409 R CA 0.506 56.689 56.100 0.139 0.000 0.955 409 R CB -0.291 30.178 30.300 0.281 0.000 0.851 409 R HN 0.125 8.395 8.270 -0.000 0.000 0.432 410 I N 0.520 121.077 120.570 -0.021 0.000 2.439 410 I HA -0.192 3.977 4.170 -0.002 0.000 0.251 410 I C 1.826 177.583 176.117 -0.600 0.000 1.139 410 I CA 1.348 62.359 61.300 -0.481 0.000 1.438 410 I CB 0.039 37.447 38.000 -0.986 0.000 1.085 410 I HN 0.111 8.321 8.210 -0.000 0.000 0.427 411 M N -0.331 118.969 119.600 -0.500 0.000 2.175 411 M HA -0.162 4.317 4.480 -0.002 0.000 0.264 411 M C 2.194 178.185 176.300 -0.515 0.000 1.063 411 M CA 1.381 56.273 55.300 -0.680 0.000 1.119 411 M CB -1.361 30.838 32.600 -0.667 0.000 1.377 411 M HN 0.360 8.650 8.290 -0.000 0.000 0.415 412 E N 0.357 120.434 120.200 -0.206 0.000 2.077 412 E HA -0.247 4.102 4.350 -0.002 0.000 0.193 412 E C 1.952 178.572 176.600 0.033 0.000 0.989 412 E CA 1.565 57.954 56.400 -0.019 0.000 0.800 412 E CB 0.034 29.747 29.700 0.022 0.000 0.746 412 E HN 0.577 8.937 8.360 -0.000 0.000 0.452 413 E N -0.665 119.547 120.200 0.020 0.000 2.031 413 E HA -0.193 4.156 4.350 -0.002 0.000 0.193 413 E C 1.881 178.603 176.600 0.203 0.000 0.994 413 E CA 1.225 57.692 56.400 0.111 0.000 0.800 413 E CB -0.154 29.625 29.700 0.132 0.000 0.752 413 E HN 0.234 8.594 8.360 -0.000 0.000 0.447 414 F N 0.153 120.029 119.950 -0.123 0.000 2.095 414 F HA -0.189 4.337 4.527 -0.002 0.000 0.298 414 F C 2.173 177.999 175.800 0.043 0.000 1.104 414 F CA 0.960 58.897 58.000 -0.106 0.000 1.232 414 F CB -0.846 38.017 39.000 -0.227 0.000 0.987 414 F HN 0.140 8.440 8.300 -0.000 0.000 0.475 415 F N 0.230 120.272 119.950 0.154 0.000 2.216 415 F HA -0.177 4.348 4.527 -0.002 0.000 0.300 415 F C 2.541 178.352 175.800 0.019 0.000 1.085 415 F CA 1.010 59.041 58.000 0.053 0.000 1.326 415 F CB -1.448 37.562 39.000 0.016 0.000 1.027 415 F HN 0.128 8.428 8.300 -0.000 0.000 0.497 416 Q N -0.016 119.911 119.800 0.211 0.000 2.119 416 Q HA -0.234 4.105 4.340 -0.002 0.000 0.201 416 Q C 2.305 178.329 176.000 0.040 0.000 0.972 416 Q CA 1.394 57.259 55.803 0.105 0.000 0.847 416 Q CB -0.116 28.670 28.738 0.080 0.000 0.903 416 Q HN 0.522 8.792 8.270 -0.000 0.000 0.433 417 Q N -0.771 119.034 119.800 0.008 0.000 2.079 417 Q HA -0.137 4.202 4.340 -0.002 0.000 0.200 417 Q C 1.896 177.893 176.000 -0.005 0.000 0.974 417 Q CA 1.533 57.265 55.803 -0.120 0.000 0.840 417 Q CB -0.322 28.300 28.738 -0.194 0.000 0.898 417 Q HN 0.473 8.743 8.270 -0.000 0.000 0.430 418 G N 0.714 109.553 108.800 0.065 0.000 2.440 418 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.218 418 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.218 418 G C 0.933 175.882 174.900 0.082 0.000 1.154 418 G CA 1.134 46.289 45.100 0.091 0.000 0.767 418 G HN 0.402 8.692 8.290 -0.000 0.000 0.552 419 D N 0.564 121.005 120.400 0.068 0.000 2.117 419 D HA -0.042 4.597 4.640 -0.002 0.000 0.197 419 D C 2.448 178.796 176.300 0.081 0.000 0.987 419 D CA 0.828 54.865 54.000 0.062 0.000 0.829 419 D CB -0.179 40.650 40.800 0.048 0.000 0.961 419 D HN 0.296 8.666 8.370 -0.000 0.000 0.460 420 K N 0.532 120.984 120.400 0.087 0.000 2.097 420 K HA -0.117 4.202 4.320 -0.002 0.000 0.206 420 K C 2.085 178.809 176.600 0.207 0.000 1.049 420 K CA 0.903 57.270 56.287 0.134 0.000 0.933 420 K CB 0.005 32.567 32.500 0.104 0.000 0.717 420 K HN 0.214 8.464 8.250 -0.000 0.000 0.442 421 E N 0.283 120.619 120.200 0.226 0.000 2.051 421 E HA -0.199 4.150 4.350 -0.002 0.000 0.192 421 E C 2.146 178.814 176.600 0.114 0.000 0.991 421 E CA 0.963 57.487 56.400 0.207 0.000 0.799 421 E CB 0.006 29.821 29.700 0.191 0.000 0.748 421 E HN 0.177 8.537 8.360 -0.000 0.000 0.449 422 R N 1.142 121.700 120.500 0.098 0.000 2.080 422 R HA -0.195 4.143 4.340 -0.002 0.000 0.236 422 R C 2.065 178.403 176.300 0.063 0.000 1.137 422 R CA 1.752 57.897 56.100 0.074 0.000 0.943 422 R CB -0.024 30.324 30.300 0.080 0.000 0.846 422 R HN 0.146 8.416 8.270 -0.000 0.000 0.431 423 E N -0.245 119.998 120.200 0.071 0.000 2.130 423 E HA -0.229 4.119 4.350 -0.002 0.000 0.196 423 E C 1.913 178.543 176.600 0.050 0.000 0.998 423 E CA 1.454 57.889 56.400 0.059 0.000 0.806 423 E CB 0.011 29.750 29.700 0.067 0.000 0.738 423 E HN 0.362 8.722 8.360 -0.000 0.000 0.459 424 R N -0.894 119.641 120.500 0.058 0.000 2.310 424 R HA 0.082 4.421 4.340 -0.002 0.000 0.202 424 R C 1.234 177.543 176.300 0.015 0.000 0.933 424 R CA 0.499 56.618 56.100 0.033 0.000 1.054 424 R CB 0.541 30.857 30.300 0.027 0.000 0.985 424 R HN 0.248 8.518 8.270 -0.000 0.000 0.489 425 G N 1.910 110.724 108.800 0.023 0.000 2.162 425 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.260 425 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.260 425 G C 0.338 175.242 174.900 0.007 0.000 0.976 425 G CA 0.640 45.748 45.100 0.014 0.000 0.655 425 G HN 0.297 8.587 8.290 -0.000 0.000 0.533 426 M N -0.564 119.041 119.600 0.008 0.000 2.163 426 M HA 0.652 5.130 4.480 -0.002 0.000 0.305 426 M C 0.303 176.612 176.300 0.017 0.000 1.166 426 M CA -0.359 54.939 55.300 -0.003 0.000 1.132 426 M CB 0.419 33.001 32.600 -0.030 0.000 1.413 426 M HN 0.104 8.394 8.290 -0.000 0.000 0.478 427 E N 1.161 121.368 120.200 0.011 0.000 2.373 427 E HA 0.253 4.602 4.350 -0.002 0.000 0.267 427 E C -0.705 175.917 176.600 0.037 0.000 1.032 427 E CA -0.465 55.948 56.400 0.021 0.000 0.889 427 E CB 0.769 30.477 29.700 0.013 0.000 0.984 427 E HN 0.345 8.705 8.360 -0.000 0.000 0.425 428 I N 2.327 122.923 120.570 0.044 0.000 2.496 428 I HA 0.015 4.184 4.170 -0.002 0.000 0.285 428 I C 0.249 176.394 176.117 0.047 0.000 1.080 428 I CA -0.136 61.198 61.300 0.057 0.000 1.404 428 I CB 0.709 38.748 38.000 0.064 0.000 1.403 428 I HN 0.351 8.561 8.210 -0.000 0.000 0.539 429 S N 9.033 124.758 115.700 0.041 0.000 2.465 429 S HA 0.112 4.581 4.470 -0.002 0.000 0.280 429 S C -1.212 173.413 174.600 0.042 0.000 1.232 429 S CA -0.779 57.432 58.200 0.019 0.000 1.066 429 S CB 0.375 63.559 63.200 -0.028 0.000 0.929 429 S HN 0.476 8.786 8.310 -0.000 0.000 0.494 430 P HA -0.191 4.229 4.420 -0.000 0.000 0.219 430 P C 0.514 177.883 177.300 0.114 0.000 1.153 430 P CA 1.468 64.612 63.100 0.073 0.000 0.865 430 P CB 0.140 31.877 31.700 0.062 0.000 0.788 434 K N 1.841 121.771 120.400 -0.783 0.000 2.360 434 K HA -0.115 4.204 4.320 -0.002 0.000 0.201 434 K C 0.742 176.863 176.600 -0.798 0.000 1.046 434 K CA 0.928 56.302 56.287 -1.521 0.000 0.945 434 K CB -0.023 31.639 32.500 -1.397 0.000 0.750 434 K HN 0.368 8.618 8.250 -0.000 0.000 0.464 435 H N 0.732 119.628 119.070 -0.291 0.000 2.512 435 H HA 0.041 4.596 4.556 -0.002 0.000 0.279 435 H C 1.281 176.550 175.328 -0.098 0.000 0.999 435 H CA 1.709 57.663 56.048 -0.157 0.000 1.283 435 H CB 0.533 30.237 29.762 -0.097 0.000 1.421 435 H HN 0.526 8.806 8.280 -0.000 0.000 0.554 436 T N -1.900 112.660 114.554 0.009 0.000 3.028 436 T HA 0.364 4.713 4.350 -0.002 0.000 0.250 436 T C 1.224 175.956 174.700 0.054 0.000 0.979 436 T CA 0.213 62.336 62.100 0.038 0.000 1.004 436 T CB -0.033 68.867 68.868 0.054 0.000 1.120 436 T HN 0.266 8.506 8.240 -0.000 0.000 0.482 437 A N 2.179 125.047 122.820 0.079 0.000 2.488 437 A HA 0.562 4.881 4.320 -0.002 0.000 0.249 437 A C 0.523 178.225 177.584 0.196 0.000 1.083 437 A CA -0.243 51.897 52.037 0.171 0.000 0.768 437 A CB 0.024 19.204 19.000 0.299 0.000 1.017 437 A HN 0.365 8.515 8.150 -0.000 0.000 0.496 438 S N 2.589 118.379 115.700 0.150 0.000 2.430 438 S HA 0.282 4.751 4.470 -0.002 0.000 0.289 438 S C 1.160 175.837 174.600 0.129 0.000 1.143 438 S CA -0.608 57.669 58.200 0.129 0.000 1.067 438 S CB 0.425 63.679 63.200 0.089 0.000 0.964 438 S HN 0.625 8.935 8.310 -0.000 0.000 0.485 439 V N 5.410 125.407 119.914 0.138 0.000 2.407 439 V HA -0.114 4.005 4.120 -0.002 0.000 0.248 439 V C 2.208 178.329 176.094 0.045 0.000 1.055 439 V CA 1.980 64.323 62.300 0.071 0.000 1.049 439 V CB -0.879 30.996 31.823 0.087 0.000 0.662 439 V HN 0.748 8.938 8.190 -0.000 0.000 0.455 440 E N 0.255 120.520 120.200 0.108 0.000 2.046 440 E HA -0.137 4.212 4.350 -0.002 0.000 0.190 440 E C 2.242 178.893 176.600 0.085 0.000 0.982 440 E CA 1.012 57.507 56.400 0.159 0.000 0.800 440 E CB -0.310 29.480 29.700 0.149 0.000 0.756 440 E HN 0.496 8.856 8.360 -0.000 0.000 0.449 441 K N 0.279 120.724 120.400 0.075 0.000 2.063 441 K HA -0.074 4.245 4.320 -0.002 0.000 0.208 441 K C 2.277 178.922 176.600 0.075 0.000 1.048 441 K CA 1.417 57.749 56.287 0.075 0.000 0.928 441 K CB -0.119 32.428 32.500 0.079 0.000 0.713 441 K HN -0.020 8.230 8.250 -0.000 0.000 0.442 442 S N 0.915 116.650 115.700 0.058 0.000 2.382 442 S HA -0.139 4.330 4.470 -0.002 0.000 0.228 442 S C 1.844 176.470 174.600 0.043 0.000 1.027 442 S CA 1.045 59.278 58.200 0.054 0.000 0.991 442 S CB -0.105 63.109 63.200 0.023 0.000 0.823 442 S HN 0.271 8.581 8.310 -0.000 0.000 0.469 443 Q N 0.663 120.433 119.800 -0.051 0.000 2.123 443 Q HA 0.036 4.375 4.340 -0.002 0.000 0.199 443 Q C 2.469 178.511 176.000 0.069 0.000 0.966 443 Q CA 0.835 56.604 55.803 -0.058 0.000 0.845 443 Q CB -0.790 27.613 28.738 -0.558 0.000 0.907 443 Q HN 0.429 8.699 8.270 -0.000 0.000 0.439 444 V N 0.556 120.500 119.914 0.050 0.000 2.287 444 V HA -0.216 3.903 4.120 -0.002 0.000 0.248 444 V C 2.321 178.443 176.094 0.047 0.000 1.053 444 V CA 2.040 64.383 62.300 0.071 0.000 1.027 444 V CB -1.225 30.639 31.823 0.069 0.000 0.646 444 V HN 0.442 8.632 8.190 -0.000 0.000 0.447 445 G N -1.090 107.775 108.800 0.107 0.000 2.422 445 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.218 445 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.218 445 G C 1.526 176.582 174.900 0.261 0.000 1.146 445 G CA 0.896 46.106 45.100 0.184 0.000 0.769 445 G HN 0.462 8.752 8.290 -0.000 0.000 0.547 446 F N 1.486 121.479 119.950 0.072 0.000 2.113 446 F HA 0.067 4.593 4.527 -0.002 0.000 0.297 446 F C 2.444 178.275 175.800 0.052 0.000 1.103 446 F CA 0.729 58.769 58.000 0.066 0.000 1.248 446 F CB -0.316 38.699 39.000 0.024 0.000 0.999 446 F HN 0.109 8.409 8.300 -0.000 0.000 0.475 447 I N 0.020 120.578 120.570 -0.020 0.000 2.202 447 I HA -0.281 3.888 4.170 -0.002 0.000 0.242 447 I C 2.077 178.148 176.117 -0.076 0.000 1.091 447 I CA 1.516 62.752 61.300 -0.107 0.000 1.368 447 I CB -0.633 37.361 38.000 -0.010 0.000 1.058 447 I HN 0.015 8.225 8.210 -0.000 0.000 0.410 448 D N 0.293 120.598 120.400 -0.158 0.000 2.123 448 D HA -0.197 4.442 4.640 -0.002 0.000 0.196 448 D C 1.868 177.994 176.300 -0.291 0.000 0.992 448 D CA 1.803 55.607 54.000 -0.327 0.000 0.833 448 D CB -0.221 40.172 40.800 -0.677 0.000 0.954 448 D HN 0.391 8.761 8.370 -0.000 0.000 0.455 449 Y N -0.898 119.457 120.300 0.092 0.000 2.458 449 Y HA 0.350 4.899 4.550 -0.002 0.000 0.254 449 Y C 1.982 177.940 175.900 0.098 0.000 1.120 449 Y CA -0.105 58.057 58.100 0.104 0.000 1.282 449 Y CB 0.565 39.090 38.460 0.110 0.000 1.109 449 Y HN -0.048 8.232 8.280 -0.000 0.000 0.526 450 I N -2.638 118.006 120.570 0.123 0.000 3.990 450 I HA -0.052 4.117 4.170 -0.002 0.000 0.275 450 I C 1.585 177.635 176.117 -0.111 0.000 1.157 450 I CA 0.290 61.581 61.300 -0.015 0.000 1.338 450 I CB 0.110 38.038 38.000 -0.119 0.000 1.588 450 I HN -0.236 7.974 8.210 -0.000 0.000 0.441 451 V N 0.744 120.483 119.914 -0.292 0.000 2.323 451 V HA -0.266 3.853 4.120 -0.002 0.000 0.244 451 V C 2.383 178.538 176.094 0.101 0.000 1.041 451 V CA 2.343 64.532 62.300 -0.185 0.000 1.025 451 V CB -0.866 30.713 31.823 -0.406 0.000 0.656 451 V HN 0.460 8.650 8.190 -0.000 0.000 0.451 452 H N 1.374 120.443 119.070 -0.002 0.000 2.321 452 H HA -0.074 4.481 4.556 -0.002 0.000 0.300 452 H C -0.189 175.200 175.328 0.102 0.000 1.087 452 H CA 2.135 58.220 56.048 0.063 0.000 1.319 452 H CB -1.214 28.552 29.762 0.008 0.000 1.379 452 H HN 0.308 8.588 8.280 -0.000 0.000 0.501 453 P HA -0.170 4.250 4.420 -0.000 0.000 0.216 453 P C 1.696 178.999 177.300 0.006 0.000 1.153 453 P CA 1.218 64.327 63.100 0.014 0.000 0.858 453 P CB -0.084 31.692 31.700 0.127 0.000 0.789 454 L N -1.827 119.426 121.223 0.050 0.000 2.005 454 L HA -0.024 4.315 4.340 -0.002 0.000 0.207 454 L C 2.158 178.993 176.870 -0.059 0.000 1.072 454 L CA 1.739 56.572 54.840 -0.013 0.000 0.744 454 L CB -1.462 40.558 42.059 -0.064 0.000 0.895 454 L HN -0.076 8.154 8.230 -0.000 0.000 0.433 455 W N 0.488 121.763 121.300 -0.042 0.000 2.388 455 W HA -0.138 4.521 4.660 -0.001 0.000 0.294 455 W C 2.664 179.167 176.519 -0.027 0.000 1.212 455 W CA 1.490 58.829 57.345 -0.010 0.000 1.271 455 W CB -0.150 29.279 29.460 -0.051 0.000 1.126 455 W HN 0.332 8.512 8.180 -0.000 0.000 0.535 456 E N -0.276 119.938 120.200 0.023 0.000 2.085 456 E HA -0.231 4.118 4.350 -0.002 0.000 0.194 456 E C 1.763 178.360 176.600 -0.006 0.000 0.994 456 E CA 2.113 58.458 56.400 -0.093 0.000 0.801 456 E CB -0.190 29.311 29.700 -0.331 0.000 0.743 456 E HN 0.116 8.476 8.360 -0.000 0.000 0.453 457 T N 0.558 115.115 114.554 0.006 0.000 2.821 457 T HA -0.152 4.197 4.350 -0.002 0.000 0.267 457 T C 1.204 175.922 174.700 0.030 0.000 1.046 457 T CA 1.011 63.115 62.100 0.007 0.000 1.139 457 T CB -0.390 68.480 68.868 0.003 0.000 0.871 457 T HN 0.435 8.675 8.240 -0.000 0.000 0.454 458 W N 2.097 123.340 121.300 -0.095 0.000 2.381 458 W HA -0.041 4.618 4.660 -0.002 0.000 0.301 458 W C 2.440 178.945 176.519 -0.023 0.000 1.205 458 W CA 1.076 58.359 57.345 -0.104 0.000 1.285 458 W CB -0.464 28.844 29.460 -0.252 0.000 1.133 458 W HN 0.289 8.469 8.180 -0.000 0.000 0.521 459 A N 0.718 123.623 122.820 0.141 0.000 1.940 459 A HA -0.253 4.066 4.320 -0.002 0.000 0.219 459 A C 1.592 179.125 177.584 -0.086 0.000 1.176 459 A CA 2.243 54.306 52.037 0.042 0.000 0.631 459 A CB -1.009 18.051 19.000 0.100 0.000 0.814 459 A HN 0.245 8.395 8.150 -0.000 0.000 0.446 460 D N -0.832 119.517 120.400 -0.084 0.000 2.178 460 D HA -0.082 4.556 4.640 -0.002 0.000 0.202 460 D C 1.784 177.988 176.300 -0.161 0.000 0.974 460 D CA 0.987 54.928 54.000 -0.099 0.000 0.841 460 D CB -0.203 40.555 40.800 -0.070 0.000 0.953 460 D HN 0.384 8.754 8.370 -0.000 0.000 0.478 461 L N 0.358 121.429 121.223 -0.254 0.000 2.109 461 L HA -0.057 4.282 4.340 -0.002 0.000 0.207 461 L C 1.736 178.384 176.870 -0.370 0.000 1.086 461 L CA 1.180 55.822 54.840 -0.329 0.000 0.760 461 L CB -0.054 41.728 42.059 -0.461 0.000 0.910 461 L HN 0.056 8.286 8.230 -0.000 0.000 0.437 462 V N -1.851 117.796 119.914 -0.446 0.000 3.376 462 V HA 0.200 4.319 4.120 -0.002 0.000 0.313 462 V C 0.823 176.801 176.094 -0.193 0.000 1.393 462 V CA -0.055 62.037 62.300 -0.347 0.000 1.125 462 V CB -1.421 30.144 31.823 -0.430 0.000 1.037 462 V HN 0.616 8.806 8.190 -0.000 0.000 0.440 463 Q N 3.039 122.743 119.800 -0.160 0.000 2.368 463 Q HA 0.037 4.376 4.340 -0.002 0.000 0.331 463 Q C -1.428 174.523 176.000 -0.080 0.000 1.086 463 Q CA 0.474 56.219 55.803 -0.097 0.000 1.031 463 Q CB 0.659 29.348 28.738 -0.080 0.000 1.125 463 Q HN 0.465 8.735 8.270 -0.000 0.000 0.389 464 P HA 0.103 4.523 4.420 -0.000 0.000 0.263 464 P C -0.584 176.692 177.300 -0.041 0.000 1.448 464 P CA -0.106 62.966 63.100 -0.046 0.000 0.983 464 P CB 0.484 32.163 31.700 -0.034 0.000 1.481 465 D N 1.597 121.969 120.400 -0.047 0.000 2.190 465 D HA -0.138 4.501 4.640 -0.002 0.000 0.200 465 D C 1.495 177.773 176.300 -0.036 0.000 0.992 465 D CA 1.377 55.356 54.000 -0.035 0.000 0.854 465 D CB -0.400 40.387 40.800 -0.023 0.000 0.936 465 D HN 0.252 8.622 8.370 -0.000 0.000 0.462 466 A N 0.352 123.164 122.820 -0.012 0.000 2.462 466 A HA 0.063 4.382 4.320 -0.002 0.000 0.261 466 A C 1.809 179.373 177.584 -0.034 0.000 1.323 466 A CA -0.076 51.958 52.037 -0.005 0.000 0.913 466 A CB 0.138 19.245 19.000 0.177 0.000 1.028 466 A HN -0.058 8.092 8.150 -0.000 0.000 0.511 467 Q N 0.951 120.730 119.800 -0.036 0.000 2.046 467 Q HA -0.158 4.181 4.340 -0.002 0.000 0.200 467 Q C 1.117 177.090 176.000 -0.045 0.000 0.975 467 Q CA 2.228 58.015 55.803 -0.026 0.000 0.836 467 Q CB -0.177 28.550 28.738 -0.018 0.000 0.896 467 Q HN 0.608 8.878 8.270 -0.000 0.000 0.428 468 D N -0.139 120.222 120.400 -0.065 0.000 2.123 468 D HA -0.162 4.477 4.640 -0.002 0.000 0.196 468 D C 1.925 178.161 176.300 -0.106 0.000 0.992 468 D CA 1.310 55.270 54.000 -0.066 0.000 0.833 468 D CB -0.172 40.592 40.800 -0.060 0.000 0.954 468 D HN 0.369 8.739 8.370 -0.000 0.000 0.455 469 I N 0.341 120.784 120.570 -0.212 0.000 2.208 469 I HA -0.258 3.911 4.170 -0.002 0.000 0.245 469 I C 2.361 178.343 176.117 -0.224 0.000 1.097 469 I CA 0.539 61.638 61.300 -0.336 0.000 1.363 469 I CB -0.114 37.497 38.000 -0.647 0.000 1.051 469 I HN -0.003 8.207 8.210 -0.000 0.000 0.413 470 L N 0.598 121.745 121.223 -0.126 0.000 2.093 470 L HA -0.218 4.121 4.340 -0.002 0.000 0.208 470 L C 1.963 178.838 176.870 0.009 0.000 1.085 470 L CA 1.895 56.721 54.840 -0.023 0.000 0.755 470 L CB -0.761 41.321 42.059 0.038 0.000 0.904 470 L HN 0.192 8.422 8.230 -0.000 0.000 0.435 471 D N -1.475 118.921 120.400 -0.007 0.000 2.117 471 D HA -0.136 4.503 4.640 -0.002 0.000 0.198 471 D C 2.027 178.335 176.300 0.013 0.000 0.982 471 D CA 1.723 55.729 54.000 0.010 0.000 0.828 471 D CB -0.133 40.670 40.800 0.005 0.000 0.967 471 D HN 0.305 8.675 8.370 -0.000 0.000 0.464 472 T N 1.392 115.945 114.554 -0.002 0.000 2.788 472 T HA -0.130 4.219 4.350 -0.002 0.000 0.268 472 T C 1.913 176.628 174.700 0.025 0.000 1.044 472 T CA 0.386 62.496 62.100 0.017 0.000 1.139 472 T CB -0.266 68.614 68.868 0.020 0.000 0.867 472 T HN 0.018 8.258 8.240 -0.000 0.000 0.454 473 L N 1.400 122.615 121.223 -0.014 0.000 2.046 473 L HA -0.064 4.275 4.340 -0.002 0.000 0.208 473 L C 2.212 179.110 176.870 0.047 0.000 1.077 473 L CA 1.792 56.626 54.840 -0.011 0.000 0.747 473 L CB -0.585 41.454 42.059 -0.033 0.000 0.896 473 L HN 0.263 8.493 8.230 -0.000 0.000 0.432 474 E N -0.914 119.311 120.200 0.041 0.000 2.072 474 E HA -0.171 4.178 4.350 -0.002 0.000 0.190 474 E C 1.778 178.420 176.600 0.068 0.000 0.982 474 E CA 1.089 57.505 56.400 0.027 0.000 0.803 474 E CB -0.104 29.601 29.700 0.008 0.000 0.755 474 E HN 0.490 8.850 8.360 -0.000 0.000 0.453 475 D N 0.730 121.177 120.400 0.078 0.000 2.123 475 D HA -0.141 4.498 4.640 -0.002 0.000 0.196 475 D C 1.599 178.009 176.300 0.184 0.000 0.992 475 D CA 0.861 54.925 54.000 0.107 0.000 0.833 475 D CB -0.342 40.505 40.800 0.079 0.000 0.954 475 D HN 0.070 8.440 8.370 -0.000 0.000 0.455 476 N N 0.552 119.376 118.700 0.208 0.000 2.120 476 N HA -0.131 4.608 4.740 -0.002 0.000 0.188 476 N C 1.747 177.546 175.510 0.483 0.000 1.024 476 N CA 0.482 53.752 53.050 0.366 0.000 0.852 476 N CB -0.242 38.502 38.487 0.427 0.000 1.003 476 N HN 0.144 8.524 8.380 -0.000 0.000 0.424 477 R N 1.252 121.945 120.500 0.322 0.000 2.081 477 R HA -0.018 4.321 4.340 -0.002 0.000 0.235 477 R C 1.050 177.493 176.300 0.237 0.000 1.131 477 R CA 1.156 57.416 56.100 0.267 0.000 0.960 477 R CB -0.320 30.041 30.300 0.102 0.000 0.856 477 R HN 0.212 8.482 8.270 -0.000 0.000 0.436 478 N N -0.166 118.645 118.700 0.186 0.000 2.244 478 N HA -0.172 4.567 4.740 -0.002 0.000 0.183 478 N C 1.301 176.905 175.510 0.156 0.000 1.016 478 N CA 1.063 54.193 53.050 0.134 0.000 0.866 478 N CB -0.490 38.056 38.487 0.099 0.000 0.980 478 N HN 0.329 8.709 8.380 -0.000 0.000 0.430 479 W N 0.741 122.069 121.300 0.048 0.000 2.379 479 W HA -0.118 4.540 4.660 -0.002 0.000 0.307 479 W C 1.683 178.164 176.519 -0.064 0.000 1.200 479 W CA 1.109 58.433 57.345 -0.035 0.000 1.297 479 W CB -0.540 28.863 29.460 -0.095 0.000 1.140 479 W HN 0.011 8.191 8.180 -0.000 0.000 0.507 480 Y N 0.389 120.789 120.300 0.167 0.000 2.293 480 Y HA -0.244 4.305 4.550 -0.001 0.000 0.291 480 Y C 2.633 178.454 175.900 -0.131 0.000 1.137 480 Y CA 2.144 60.226 58.100 -0.030 0.000 1.202 480 Y CB -1.026 37.522 38.460 0.146 0.000 0.990 480 Y HN 0.050 8.330 8.280 -0.000 0.000 0.537 481 Q N 0.400 120.250 119.800 0.084 0.000 2.119 481 Q HA -0.154 4.185 4.340 -0.002 0.000 0.201 481 Q C 2.246 178.199 176.000 -0.079 0.000 0.972 481 Q CA 2.016 57.828 55.803 0.016 0.000 0.847 481 Q CB -0.418 28.339 28.738 0.032 0.000 0.903 481 Q HN 0.386 8.656 8.270 -0.000 0.000 0.433 482 S N -1.146 114.456 115.700 -0.164 0.000 2.481 482 S HA -0.039 4.430 4.470 -0.002 0.000 0.231 482 S C 1.591 175.998 174.600 -0.322 0.000 0.996 482 S CA 0.681 58.747 58.200 -0.224 0.000 0.942 482 S CB -0.125 62.932 63.200 -0.238 0.000 0.768 482 S HN 0.314 8.624 8.310 -0.000 0.000 0.520 483 M N 1.065 120.401 119.600 -0.441 0.000 2.595 483 M HA 0.404 4.883 4.480 -0.002 0.000 0.248 483 M C 0.192 176.374 176.300 -0.198 0.000 1.119 483 M CA 0.114 55.156 55.300 -0.430 0.000 1.079 483 M CB -0.893 31.312 32.600 -0.659 0.000 1.472 483 M HN 0.330 8.620 8.290 -0.000 0.000 0.501 484 I N 1.481 121.977 120.570 -0.124 0.000 2.342 484 I HA 0.163 4.332 4.170 -0.002 0.000 0.291 484 I C -1.618 174.468 176.117 -0.052 0.000 1.010 484 I CA -1.632 59.634 61.300 -0.055 0.000 1.308 484 I CB 0.601 38.591 38.000 -0.017 0.000 1.400 484 I HN 0.051 8.261 8.210 -0.000 0.000 0.488 485 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 485 P CA 0.000 63.082 63.100 -0.029 0.000 0.800 485 P CB 0.000 31.686 31.700 -0.023 0.000 0.726