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 1yz5_1_B DATA FIRST_RESID 2 DATA SEQUENCE ERASLIQKAK LAEQAERYED MAAFMKGAVE KGEELSCEER NLLSVAYKNV DATA SEQUENCE VGGQRAAWRV LSSIEQKSNE XXSEEKGPEV REYREKVETE LQGVCDTVLG DATA SEQUENCE LLDSHLIKEA GDAESRVFYL KMKGDYYRYL AEVATGDDKK RIIDSARSAY DATA SEQUENCE QEAMDISKKE MPPTNPIRLG LALNFSVFHY EIANSPEEAI SLAKTTFDEA DATA SEQUENCE MADLHTLSED SYKDSTLIMQ LLRDNLTLWT A 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 2 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 2 E C 0.000 176.589 176.600 -0.018 0.000 1.382 2 E CA 0.000 56.391 56.400 -0.014 0.000 0.976 2 E CB 0.000 29.688 29.700 -0.020 0.000 0.812 3 R N 2.025 122.516 120.500 -0.014 0.000 2.120 3 R HA -0.076 4.265 4.340 0.001 0.000 0.234 3 R C 1.637 177.922 176.300 -0.025 0.000 1.123 3 R CA 1.999 58.090 56.100 -0.014 0.000 0.975 3 R CB -0.168 30.125 30.300 -0.011 0.000 0.866 3 R HN 0.370 8.640 8.270 -0.000 0.000 0.446 4 A N 1.155 123.959 122.820 -0.027 0.000 1.903 4 A HA -0.222 4.099 4.320 0.001 0.000 0.219 4 A C 2.336 179.886 177.584 -0.056 0.000 1.191 4 A CA 2.199 54.216 52.037 -0.035 0.000 0.638 4 A CB -0.867 18.115 19.000 -0.030 0.000 0.823 4 A HN 0.513 8.663 8.150 -0.000 0.000 0.451 5 S N -0.480 115.182 115.700 -0.064 0.000 2.356 5 S HA -0.091 4.380 4.470 0.001 0.000 0.223 5 S C 1.868 176.372 174.600 -0.160 0.000 1.032 5 S CA 1.436 59.575 58.200 -0.102 0.000 1.005 5 S CB -0.490 62.660 63.200 -0.085 0.000 0.867 5 S HN 0.491 8.801 8.310 -0.000 0.000 0.449 6 L N 1.311 122.467 121.223 -0.112 0.000 1.989 6 L HA -0.157 4.184 4.340 0.001 0.000 0.211 6 L C 2.253 179.052 176.870 -0.118 0.000 1.071 6 L CA 1.004 55.778 54.840 -0.111 0.000 0.749 6 L CB -0.624 41.448 42.059 0.022 0.000 0.890 6 L HN 0.298 8.528 8.230 -0.000 0.000 0.431 7 I N -0.472 120.065 120.570 -0.055 0.000 2.248 7 I HA -0.302 3.869 4.170 0.001 0.000 0.248 7 I C 2.641 178.713 176.117 -0.074 0.000 1.107 7 I CA 1.468 62.749 61.300 -0.032 0.000 1.373 7 I CB -1.158 36.831 38.000 -0.017 0.000 1.055 7 I HN 0.476 8.686 8.210 -0.000 0.000 0.418 8 Q N 1.277 121.006 119.800 -0.117 0.000 2.046 8 Q HA -0.187 4.154 4.340 0.001 0.000 0.200 8 Q C 2.195 178.077 176.000 -0.197 0.000 0.975 8 Q CA 1.565 57.291 55.803 -0.128 0.000 0.836 8 Q CB 0.016 28.681 28.738 -0.121 0.000 0.896 8 Q HN 0.487 8.757 8.270 -0.000 0.000 0.428 9 K N -0.274 119.895 120.400 -0.385 0.000 2.155 9 K HA -0.027 4.294 4.320 0.001 0.000 0.203 9 K C 2.049 178.404 176.600 -0.408 0.000 1.052 9 K CA 0.817 56.713 56.287 -0.651 0.000 0.948 9 K CB -0.082 31.539 32.500 -1.465 0.000 0.728 9 K HN 0.149 8.399 8.250 -0.000 0.000 0.448 10 A N 2.073 124.790 122.820 -0.172 0.000 1.883 10 A HA -0.236 4.085 4.320 0.001 0.000 0.217 10 A C 1.877 179.515 177.584 0.091 0.000 1.186 10 A CA 1.689 53.831 52.037 0.175 0.000 0.624 10 A CB -0.339 18.762 19.000 0.167 0.000 0.822 10 A HN 0.189 8.339 8.150 -0.000 0.000 0.444 11 K N -0.444 119.967 120.400 0.018 0.000 2.147 11 K HA -0.013 4.308 4.320 0.001 0.000 0.205 11 K C 1.850 178.453 176.600 0.005 0.000 1.049 11 K CA 1.206 57.504 56.287 0.017 0.000 0.936 11 K CB -0.341 32.157 32.500 -0.003 0.000 0.722 11 K HN 0.475 8.725 8.250 -0.000 0.000 0.446 12 L N 0.328 121.536 121.223 -0.025 0.000 2.027 12 L HA -0.161 4.180 4.340 0.001 0.000 0.206 12 L C 2.577 179.449 176.870 0.003 0.000 1.074 12 L CA 1.123 55.948 54.840 -0.025 0.000 0.745 12 L CB -0.595 41.426 42.059 -0.062 0.000 0.898 12 L HN 0.204 8.434 8.230 -0.000 0.000 0.433 13 A N -0.162 122.694 122.820 0.061 0.000 1.978 13 A HA -0.272 4.049 4.320 0.001 0.000 0.220 13 A C 2.197 179.736 177.584 -0.075 0.000 1.170 13 A CA 1.963 54.033 52.037 0.056 0.000 0.636 13 A CB -0.494 18.632 19.000 0.211 0.000 0.810 13 A HN 0.533 8.683 8.150 -0.000 0.000 0.448 14 E N -0.362 119.830 120.200 -0.013 0.000 2.007 14 E HA -0.281 4.070 4.350 0.001 0.000 0.194 14 E C 2.126 178.696 176.600 -0.051 0.000 0.999 14 E CA 1.475 57.872 56.400 -0.006 0.000 0.811 14 E CB -0.318 29.438 29.700 0.095 0.000 0.762 14 E HN 0.666 9.026 8.360 -0.000 0.000 0.450 15 Q N -0.330 119.462 119.800 -0.013 0.000 2.156 15 Q HA -0.229 4.112 4.340 0.001 0.000 0.211 15 Q C 1.872 177.844 176.000 -0.046 0.000 0.995 15 Q CA 2.053 57.847 55.803 -0.015 0.000 0.877 15 Q CB -0.258 28.475 28.738 -0.008 0.000 0.920 15 Q HN 0.435 8.705 8.270 -0.000 0.000 0.416 16 A N -0.184 122.589 122.820 -0.078 0.000 2.251 16 A HA 0.022 4.343 4.320 0.001 0.000 0.209 16 A C 0.024 177.506 177.584 -0.171 0.000 1.187 16 A CA 0.281 52.264 52.037 -0.090 0.000 0.823 16 A CB 0.019 18.981 19.000 -0.063 0.000 0.846 16 A HN 0.438 8.588 8.150 -0.000 0.000 0.486 17 E N -0.524 119.489 120.200 -0.312 0.000 2.389 17 E HA -0.169 4.182 4.350 0.001 0.000 0.243 17 E C -0.562 175.637 176.600 -0.669 0.000 1.154 17 E CA 0.237 56.258 56.400 -0.632 0.000 0.723 17 E CB -0.796 28.772 29.700 -0.221 0.000 1.261 17 E HN 0.487 8.847 8.360 -0.000 0.000 0.390 18 R N 0.728 120.896 120.500 -0.554 0.000 2.666 18 R HA 0.131 4.472 4.340 0.001 0.000 0.275 18 R C -0.010 176.102 176.300 -0.313 0.000 1.266 18 R CA -0.190 55.720 56.100 -0.315 0.000 1.401 18 R CB 0.165 30.376 30.300 -0.148 0.000 1.145 18 R HN 0.226 8.496 8.270 -0.000 0.000 0.581 19 Y N 0.477 120.750 120.300 -0.044 0.000 2.395 19 Y HA -0.037 4.513 4.550 0.001 0.000 0.293 19 Y C 2.076 177.886 175.900 -0.151 0.000 1.123 19 Y CA 0.599 58.654 58.100 -0.074 0.000 1.227 19 Y CB 0.212 38.642 38.460 -0.050 0.000 1.012 19 Y HN 0.417 8.697 8.280 -0.000 0.000 0.552 20 E N 0.393 120.582 120.200 -0.019 0.000 2.023 20 E HA -0.233 4.118 4.350 0.001 0.000 0.196 20 E C 1.547 178.010 176.600 -0.230 0.000 1.003 20 E CA 1.641 57.971 56.400 -0.117 0.000 0.809 20 E CB -0.143 29.504 29.700 -0.087 0.000 0.755 20 E HN 0.414 8.774 8.360 -0.000 0.000 0.449 21 D N 0.412 120.655 120.400 -0.262 0.000 2.103 21 D HA -0.218 4.422 4.640 0.001 0.000 0.190 21 D C 1.873 177.800 176.300 -0.622 0.000 0.997 21 D CA 1.131 54.821 54.000 -0.517 0.000 0.833 21 D CB -0.339 40.255 40.800 -0.344 0.000 0.961 21 D HN 0.110 8.480 8.370 -0.000 0.000 0.447 22 M N 0.300 119.782 119.600 -0.197 0.000 2.106 22 M HA -0.244 4.237 4.480 0.001 0.000 0.259 22 M C 1.910 178.173 176.300 -0.061 0.000 1.068 22 M CA 2.041 57.364 55.300 0.039 0.000 1.100 22 M CB 0.020 32.680 32.600 0.099 0.000 1.351 22 M HN 0.050 8.340 8.290 -0.000 0.000 0.404 23 A N -0.336 122.343 122.820 -0.235 0.000 2.014 23 A HA 0.088 4.408 4.320 0.001 0.000 0.218 23 A C 2.200 179.607 177.584 -0.295 0.000 1.163 23 A CA 1.479 53.231 52.037 -0.474 0.000 0.652 23 A CB -0.821 17.582 19.000 -0.996 0.000 0.808 23 A HN 0.662 8.812 8.150 -0.000 0.000 0.449 24 A N -0.691 121.947 122.820 -0.303 0.000 1.872 24 A HA 0.082 4.403 4.320 0.001 0.000 0.214 24 A C 1.971 179.479 177.584 -0.127 0.000 1.187 24 A CA 1.148 53.041 52.037 -0.240 0.000 0.614 24 A CB -0.776 18.006 19.000 -0.363 0.000 0.826 24 A HN 0.496 8.646 8.150 -0.000 0.000 0.442 25 F N -0.602 119.337 119.950 -0.020 0.000 2.095 25 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 25 F C 2.658 178.461 175.800 0.005 0.000 1.104 25 F CA 1.060 59.054 58.000 -0.009 0.000 1.232 25 F CB -0.320 38.673 39.000 -0.012 0.000 0.987 25 F HN 0.118 8.418 8.300 -0.000 0.000 0.475 26 M N 0.306 120.023 119.600 0.197 0.000 2.175 26 M HA -0.153 4.328 4.480 0.001 0.000 0.264 26 M C 2.112 178.492 176.300 0.133 0.000 1.063 26 M CA 1.417 56.810 55.300 0.155 0.000 1.119 26 M CB -1.065 31.637 32.600 0.169 0.000 1.377 26 M HN 0.107 8.397 8.290 -0.000 0.000 0.415 27 K N 0.073 120.558 120.400 0.143 0.000 2.097 27 K HA -0.102 4.219 4.320 0.001 0.000 0.206 27 K C 1.944 178.561 176.600 0.027 0.000 1.049 27 K CA 1.572 57.926 56.287 0.111 0.000 0.933 27 K CB -0.288 32.299 32.500 0.145 0.000 0.717 27 K HN 0.314 8.564 8.250 -0.000 0.000 0.442 28 G N 0.636 109.465 108.800 0.048 0.000 2.484 28 G HA2 -0.284 3.676 3.960 0.001 0.000 0.215 28 G HA3 -0.284 3.676 3.960 0.001 0.000 0.215 28 G C 1.596 176.493 174.900 -0.006 0.000 1.219 28 G CA 1.108 46.226 45.100 0.030 0.000 0.791 28 G HN 0.444 8.734 8.290 -0.000 0.000 0.550 29 A N 0.028 122.864 122.820 0.026 0.000 1.894 29 A HA -0.152 4.169 4.320 0.001 0.000 0.220 29 A C 2.625 180.173 177.584 -0.060 0.000 1.237 29 A CA 2.692 54.729 52.037 0.000 0.000 0.660 29 A CB -1.111 17.907 19.000 0.030 0.000 0.835 29 A HN 0.431 8.581 8.150 -0.000 0.000 0.461 30 V N -0.183 119.681 119.914 -0.084 0.000 2.392 30 V HA -0.265 3.856 4.120 0.001 0.000 0.249 30 V C 2.289 178.121 176.094 -0.437 0.000 1.059 30 V CA 2.334 64.520 62.300 -0.190 0.000 1.051 30 V CB -0.822 30.903 31.823 -0.163 0.000 0.658 30 V HN 0.665 8.855 8.190 -0.000 0.000 0.455 31 E N -0.480 119.470 120.200 -0.417 0.000 2.418 31 E HA -0.124 4.227 4.350 0.001 0.000 0.197 31 E C 1.997 178.473 176.600 -0.206 0.000 1.026 31 E CA 0.221 56.328 56.400 -0.489 0.000 0.862 31 E CB 0.051 29.631 29.700 -0.199 0.000 0.799 31 E HN 0.478 8.838 8.360 -0.000 0.000 0.518 32 K N -0.770 119.551 120.400 -0.132 0.000 2.283 32 K HA -0.050 4.270 4.320 0.001 0.000 0.202 32 K C 1.539 178.121 176.600 -0.030 0.000 1.048 32 K CA 1.004 57.259 56.287 -0.053 0.000 0.948 32 K CB 0.272 32.751 32.500 -0.035 0.000 0.742 32 K HN 0.311 8.561 8.250 -0.000 0.000 0.458 33 G N 0.110 108.877 108.800 -0.055 0.000 2.258 33 G HA2 -0.337 3.623 3.960 0.001 0.000 0.233 33 G HA3 -0.337 3.623 3.960 0.001 0.000 0.233 33 G C 0.326 175.237 174.900 0.018 0.000 1.006 33 G CA 0.439 45.557 45.100 0.031 0.000 0.620 33 G HN 0.563 8.853 8.290 -0.000 0.000 0.511 34 E N 1.344 121.543 120.200 -0.002 0.000 2.373 34 E HA 0.571 4.922 4.350 0.001 0.000 0.267 34 E C 0.434 177.038 176.600 0.006 0.000 1.032 34 E CA 0.493 56.895 56.400 0.004 0.000 0.889 34 E CB 0.186 29.887 29.700 0.001 0.000 0.984 34 E HN 0.718 9.078 8.360 -0.000 0.000 0.425 35 E N -0.244 119.968 120.200 0.020 0.000 2.478 35 E HA 0.237 4.587 4.350 0.001 0.000 0.262 35 E C -0.207 176.420 176.600 0.044 0.000 1.243 35 E CA 0.103 56.526 56.400 0.039 0.000 1.039 35 E CB 0.406 30.136 29.700 0.051 0.000 0.983 35 E HN 0.513 8.873 8.360 -0.000 0.000 0.479 36 L N 1.920 123.195 121.223 0.087 0.000 2.325 36 L HA 0.196 4.537 4.340 0.001 0.000 0.281 36 L C 0.234 177.126 176.870 0.036 0.000 1.004 36 L CA -0.636 54.251 54.840 0.078 0.000 0.823 36 L CB 1.559 43.702 42.059 0.141 0.000 1.236 36 L HN 0.623 8.853 8.230 -0.000 0.000 0.415 37 S N 1.147 116.847 115.700 0.000 0.000 2.592 37 S HA -0.094 4.376 4.470 0.001 0.000 0.256 37 S C 1.397 175.945 174.600 -0.086 0.000 1.369 37 S CA -0.099 58.081 58.200 -0.034 0.000 0.984 37 S CB 0.863 64.048 63.200 -0.026 0.000 0.919 37 S HN 0.861 9.171 8.310 -0.000 0.000 0.576 38 C N 0.914 120.149 119.300 -0.108 0.000 2.413 38 C HA -0.116 4.345 4.460 0.001 0.000 0.277 38 C C 2.709 177.608 174.990 -0.153 0.000 1.228 38 C CA 1.782 60.699 59.018 -0.170 0.000 1.731 38 C CB -1.963 25.703 27.740 -0.124 0.000 2.042 38 C HN 1.107 9.337 8.230 -0.000 0.000 0.468 39 E N 0.202 120.353 120.200 -0.081 0.000 2.110 39 E HA -0.255 4.096 4.350 0.001 0.000 0.193 39 E C 1.960 178.542 176.600 -0.030 0.000 0.988 39 E CA 1.790 58.162 56.400 -0.046 0.000 0.804 39 E CB -0.315 29.372 29.700 -0.022 0.000 0.745 39 E HN 0.788 9.148 8.360 -0.000 0.000 0.458 40 E N 0.088 120.272 120.200 -0.028 0.000 2.152 40 E HA -0.099 4.252 4.350 0.001 0.000 0.192 40 E C 2.269 178.883 176.600 0.022 0.000 0.983 40 E CA 0.274 56.681 56.400 0.011 0.000 0.818 40 E CB -0.006 29.706 29.700 0.020 0.000 0.758 40 E HN 0.185 8.545 8.360 -0.000 0.000 0.467 41 R N 0.863 121.320 120.500 -0.071 0.000 2.096 41 R HA -0.155 4.186 4.340 0.001 0.000 0.240 41 R C 1.947 178.232 176.300 -0.026 0.000 1.139 41 R CA 1.603 57.603 56.100 -0.165 0.000 0.952 41 R CB -0.172 29.680 30.300 -0.745 0.000 0.854 41 R HN 0.129 8.399 8.270 -0.000 0.000 0.436 42 N N 0.518 119.187 118.700 -0.052 0.000 2.166 42 N HA -0.122 4.619 4.740 0.001 0.000 0.186 42 N C 1.819 177.417 175.510 0.146 0.000 1.019 42 N CA 1.007 54.114 53.050 0.095 0.000 0.856 42 N CB -0.239 38.279 38.487 0.051 0.000 0.993 42 N HN 0.189 8.569 8.380 -0.000 0.000 0.426 43 L N -0.026 121.266 121.223 0.115 0.000 2.017 43 L HA -0.136 4.205 4.340 0.001 0.000 0.208 43 L C 2.220 179.199 176.870 0.182 0.000 1.073 43 L CA 0.647 55.569 54.840 0.137 0.000 0.745 43 L CB -0.537 41.587 42.059 0.109 0.000 0.894 43 L HN 0.144 8.374 8.230 -0.000 0.000 0.432 44 L N -0.541 120.806 121.223 0.206 0.000 1.989 44 L HA -0.256 4.084 4.340 0.001 0.000 0.211 44 L C 2.792 179.874 176.870 0.352 0.000 1.071 44 L CA 2.200 57.212 54.840 0.286 0.000 0.749 44 L CB -0.680 41.549 42.059 0.283 0.000 0.890 44 L HN 0.236 8.466 8.230 -0.000 0.000 0.431 45 S N -1.331 114.578 115.700 0.348 0.000 2.353 45 S HA -0.193 4.278 4.470 0.001 0.000 0.222 45 S C 1.987 176.764 174.600 0.295 0.000 1.035 45 S CA 1.791 60.208 58.200 0.362 0.000 1.025 45 S CB -0.583 62.876 63.200 0.432 0.000 0.902 45 S HN 0.320 8.630 8.310 -0.000 0.000 0.440 46 V N 2.307 122.354 119.914 0.222 0.000 2.332 46 V HA -0.173 3.948 4.120 0.001 0.000 0.248 46 V C 2.884 179.033 176.094 0.091 0.000 1.055 46 V CA 1.871 64.251 62.300 0.135 0.000 1.038 46 V CB -1.465 30.437 31.823 0.132 0.000 0.651 46 V HN 0.642 8.832 8.190 -0.000 0.000 0.450 47 A N -1.054 121.855 122.820 0.148 0.000 1.865 47 A HA -0.262 4.059 4.320 0.001 0.000 0.217 47 A C 2.067 179.638 177.584 -0.021 0.000 1.191 47 A CA 2.255 54.343 52.037 0.084 0.000 0.623 47 A CB -0.790 18.211 19.000 0.002 0.000 0.826 47 A HN 0.583 8.733 8.150 -0.000 0.000 0.444 48 Y N -0.660 119.718 120.300 0.129 0.000 2.337 48 Y HA -0.033 4.517 4.550 0.000 0.000 0.293 48 Y C 2.328 178.353 175.900 0.208 0.000 1.123 48 Y CA 1.481 59.679 58.100 0.162 0.000 1.201 48 Y CB -0.151 38.398 38.460 0.149 0.000 1.011 48 Y HN 0.312 8.592 8.280 -0.000 0.000 0.545 49 K N 0.795 121.398 120.400 0.338 0.000 2.089 49 K HA -0.212 4.109 4.320 0.001 0.000 0.210 49 K C 1.619 178.207 176.600 -0.021 0.000 1.048 49 K CA 2.051 58.438 56.287 0.166 0.000 0.926 49 K CB -0.264 32.304 32.500 0.113 0.000 0.714 49 K HN 0.295 8.545 8.250 -0.000 0.000 0.448 50 N N -0.476 118.147 118.700 -0.127 0.000 2.207 50 N HA -0.109 4.632 4.740 0.001 0.000 0.182 50 N C 1.751 177.189 175.510 -0.120 0.000 1.020 50 N CA 1.403 54.291 53.050 -0.270 0.000 0.858 50 N CB -0.000 38.014 38.487 -0.788 0.000 0.991 50 N HN -0.002 8.378 8.380 -0.000 0.000 0.427 51 V N 1.528 121.420 119.914 -0.038 0.000 2.261 51 V HA -0.185 3.936 4.120 0.001 0.000 0.246 51 V C 2.526 178.619 176.094 -0.001 0.000 1.047 51 V CA 1.299 63.605 62.300 0.009 0.000 1.015 51 V CB -0.479 31.354 31.823 0.017 0.000 0.642 51 V HN 0.043 8.233 8.190 -0.000 0.000 0.446 52 V N 0.732 120.655 119.914 0.015 0.000 2.233 52 V HA -0.224 3.897 4.120 0.001 0.000 0.247 52 V C 2.687 178.649 176.094 -0.219 0.000 1.050 52 V CA 2.382 64.623 62.300 -0.098 0.000 1.010 52 V CB -1.526 30.207 31.823 -0.149 0.000 0.637 52 V HN 0.623 8.813 8.190 -0.000 0.000 0.444 53 G N -0.169 108.486 108.800 -0.241 0.000 2.505 53 G HA2 -0.252 3.708 3.960 0.001 0.000 0.220 53 G HA3 -0.252 3.708 3.960 0.001 0.000 0.220 53 G C 1.578 176.405 174.900 -0.120 0.000 1.145 53 G CA 1.191 46.159 45.100 -0.220 0.000 0.761 53 G HN 0.634 8.924 8.290 -0.000 0.000 0.571 54 G N -0.431 108.323 108.800 -0.076 0.000 2.421 54 G HA2 -0.068 3.893 3.960 0.001 0.000 0.217 54 G HA3 -0.068 3.893 3.960 0.001 0.000 0.217 54 G C 1.768 176.662 174.900 -0.010 0.000 1.143 54 G CA 0.945 46.029 45.100 -0.026 0.000 0.784 54 G HN 0.507 8.797 8.290 -0.000 0.000 0.541 55 Q N -0.197 119.587 119.800 -0.027 0.000 2.079 55 Q HA -0.011 4.330 4.340 0.001 0.000 0.200 55 Q C 2.812 178.819 176.000 0.012 0.000 0.974 55 Q CA 0.831 56.628 55.803 -0.010 0.000 0.840 55 Q CB -0.108 28.615 28.738 -0.026 0.000 0.898 55 Q HN 0.367 8.637 8.270 -0.000 0.000 0.430 56 R N 0.036 120.502 120.500 -0.057 0.000 2.096 56 R HA -0.189 4.152 4.340 0.001 0.000 0.240 56 R C 2.280 178.646 176.300 0.110 0.000 1.139 56 R CA 1.388 57.475 56.100 -0.021 0.000 0.952 56 R CB -0.446 29.766 30.300 -0.147 0.000 0.854 56 R HN 0.231 8.501 8.270 -0.000 0.000 0.436 57 A N 0.957 123.807 122.820 0.050 0.000 1.902 57 A HA -0.147 4.173 4.320 0.001 0.000 0.217 57 A C 2.349 179.981 177.584 0.081 0.000 1.181 57 A CA 1.786 53.861 52.037 0.063 0.000 0.623 57 A CB -0.659 18.358 19.000 0.029 0.000 0.818 57 A HN 0.447 8.597 8.150 -0.000 0.000 0.443 58 A N -1.500 121.366 122.820 0.077 0.000 1.858 58 A HA -0.176 4.145 4.320 0.001 0.000 0.216 58 A C 2.018 179.647 177.584 0.074 0.000 1.190 58 A CA 1.579 53.652 52.037 0.061 0.000 0.617 58 A CB -1.086 17.936 19.000 0.036 0.000 0.827 58 A HN 0.852 9.002 8.150 -0.000 0.000 0.443 59 W N 0.872 122.135 121.300 -0.062 0.000 2.325 59 W HA -0.212 4.449 4.660 0.002 0.000 0.299 59 W C 2.408 178.911 176.519 -0.027 0.000 1.215 59 W CA 2.167 59.479 57.345 -0.056 0.000 1.244 59 W CB -0.053 29.375 29.460 -0.052 0.000 1.140 59 W HN 0.220 8.400 8.180 -0.000 0.000 0.523 60 R N -0.530 120.081 120.500 0.186 0.000 2.075 60 R HA -0.138 4.203 4.340 0.001 0.000 0.232 60 R C 2.009 178.240 176.300 -0.116 0.000 1.126 60 R CA 1.787 57.903 56.100 0.027 0.000 0.963 60 R CB -1.199 29.196 30.300 0.158 0.000 0.858 60 R HN 0.195 8.465 8.270 -0.000 0.000 0.435 61 V N 1.870 121.753 119.914 -0.052 0.000 2.332 61 V HA -0.237 3.883 4.120 0.001 0.000 0.248 61 V C 2.391 178.424 176.094 -0.103 0.000 1.055 61 V CA 1.700 63.969 62.300 -0.053 0.000 1.038 61 V CB -0.388 31.432 31.823 -0.005 0.000 0.651 61 V HN 0.267 8.457 8.190 -0.000 0.000 0.450 62 L N -0.086 121.045 121.223 -0.153 0.000 2.095 62 L HA -0.046 4.295 4.340 0.001 0.000 0.204 62 L C 2.886 179.581 176.870 -0.291 0.000 1.080 62 L CA 1.477 56.215 54.840 -0.171 0.000 0.759 62 L CB -1.002 40.961 42.059 -0.159 0.000 0.914 62 L HN 0.454 8.684 8.230 -0.000 0.000 0.439 63 S N -0.404 114.968 115.700 -0.547 0.000 2.400 63 S HA -0.242 4.229 4.470 0.001 0.000 0.232 63 S C 2.256 176.659 174.600 -0.329 0.000 1.025 63 S CA 2.181 60.004 58.200 -0.629 0.000 0.993 63 S CB -0.460 62.020 63.200 -1.200 0.000 0.808 63 S HN 0.275 8.585 8.310 -0.000 0.000 0.478 64 S N 0.264 115.820 115.700 -0.241 0.000 2.345 64 S HA 0.047 4.517 4.470 0.001 0.000 0.219 64 S C 1.908 176.451 174.600 -0.095 0.000 1.031 64 S CA 0.869 58.989 58.200 -0.132 0.000 0.984 64 S CB -0.399 62.748 63.200 -0.088 0.000 0.874 64 S HN 0.578 8.888 8.310 -0.000 0.000 0.451 65 I N 1.544 122.061 120.570 -0.088 0.000 2.127 65 I HA -0.200 3.971 4.170 0.001 0.000 0.241 65 I C 2.727 178.808 176.117 -0.060 0.000 1.075 65 I CA 1.772 63.038 61.300 -0.057 0.000 1.334 65 I CB -0.370 37.606 38.000 -0.040 0.000 1.040 65 I HN 0.457 8.667 8.210 -0.000 0.000 0.405 66 E N 0.751 120.900 120.200 -0.085 0.000 2.077 66 E HA -0.272 4.079 4.350 0.001 0.000 0.193 66 E C 2.070 178.630 176.600 -0.066 0.000 0.989 66 E CA 1.534 57.891 56.400 -0.073 0.000 0.800 66 E CB 0.009 29.650 29.700 -0.099 0.000 0.746 66 E HN 0.586 8.946 8.360 -0.000 0.000 0.452 67 Q N 0.461 120.211 119.800 -0.084 0.000 2.452 67 Q HA 0.095 4.436 4.340 0.001 0.000 0.214 67 Q C 0.581 176.557 176.000 -0.041 0.000 0.966 67 Q CA 1.241 57.008 55.803 -0.061 0.000 0.964 67 Q CB -0.639 28.056 28.738 -0.071 0.000 0.992 67 Q HN 0.275 8.545 8.270 -0.000 0.000 0.517 68 K N -0.997 119.380 120.400 -0.037 0.000 2.556 68 K HA 0.515 4.836 4.320 0.001 0.000 0.322 68 K C 0.243 176.830 176.600 -0.022 0.000 1.420 68 K CA 0.071 56.343 56.287 -0.025 0.000 1.044 68 K CB -0.854 31.632 32.500 -0.023 0.000 1.427 68 K HN 0.743 8.993 8.250 -0.000 0.000 0.509 69 S N 1.662 117.352 115.700 -0.018 0.000 3.477 69 S HA -0.185 4.286 4.470 0.001 0.000 0.371 69 S C 0.715 175.306 174.600 -0.015 0.000 0.965 69 S CA 1.275 59.466 58.200 -0.016 0.000 1.239 69 S CB -1.320 61.869 63.200 -0.018 0.000 0.918 69 S HN 1.129 9.439 8.310 -0.000 0.000 0.498 70 N N -0.470 118.223 118.700 -0.012 0.000 2.351 70 N HA 0.137 4.878 4.740 0.001 0.000 0.254 70 N C -0.202 175.304 175.510 -0.006 0.000 1.241 70 N CA -0.596 52.449 53.050 -0.009 0.000 0.883 70 N CB 0.738 39.219 38.487 -0.010 0.000 1.202 70 N HN 0.494 8.874 8.380 -0.000 0.000 0.512 75 E N 0.157 120.354 120.200 -0.006 0.000 2.422 75 E HA 0.570 4.921 4.350 0.001 0.000 0.280 75 E C -1.508 175.089 176.600 -0.005 0.000 1.091 75 E CA -0.154 56.242 56.400 -0.006 0.000 0.849 75 E CB 1.089 30.785 29.700 -0.006 0.000 1.353 75 E HN 0.504 8.864 8.360 -0.000 0.000 0.449 76 E N 0.546 120.743 120.200 -0.005 0.000 2.346 76 E HA 0.457 4.808 4.350 0.001 0.000 0.239 76 E C -0.413 176.184 176.600 -0.004 0.000 0.943 76 E CA -0.086 56.312 56.400 -0.005 0.000 0.751 76 E CB 0.910 30.608 29.700 -0.003 0.000 1.241 76 E HN 0.567 8.927 8.360 -0.000 0.000 0.423 77 K N 0.997 121.394 120.400 -0.006 0.000 2.408 77 K HA 0.424 4.745 4.320 0.001 0.000 0.231 77 K C 1.419 178.017 176.600 -0.003 0.000 1.261 77 K CA 0.299 56.582 56.287 -0.006 0.000 1.193 77 K CB -0.762 31.738 32.500 -0.000 0.000 1.431 77 K HN 0.748 8.998 8.250 -0.000 0.000 0.243 78 G N 1.792 110.591 108.800 -0.001 0.000 2.439 78 G HA2 -0.056 3.905 3.960 0.001 0.000 0.212 78 G HA3 -0.056 3.905 3.960 0.001 0.000 0.212 78 G C -0.317 174.587 174.900 0.008 0.000 1.199 78 G CA 0.739 45.840 45.100 0.002 0.000 0.807 78 G HN 0.567 8.857 8.290 -0.000 0.000 0.537 79 P HA -0.183 4.237 4.420 -0.000 0.000 0.214 79 P C 1.428 178.741 177.300 0.023 0.000 1.169 79 P CA 1.822 64.931 63.100 0.015 0.000 0.908 79 P CB -0.317 31.389 31.700 0.011 0.000 0.791 80 E N 0.222 120.431 120.200 0.015 0.000 2.068 80 E HA -0.243 4.108 4.350 0.001 0.000 0.207 80 E C 2.459 179.088 176.600 0.048 0.000 1.032 80 E CA 1.951 58.360 56.400 0.015 0.000 0.839 80 E CB -1.482 28.211 29.700 -0.011 0.000 0.758 80 E HN 0.225 8.585 8.360 -0.000 0.000 0.457 81 V N 1.726 121.663 119.914 0.038 0.000 2.295 81 V HA -0.248 3.873 4.120 0.001 0.000 0.246 81 V C 2.495 178.624 176.094 0.059 0.000 1.049 81 V CA 2.497 64.828 62.300 0.052 0.000 1.024 81 V CB -0.821 31.011 31.823 0.016 0.000 0.648 81 V HN 0.110 8.300 8.190 -0.000 0.000 0.447 82 R N -0.541 119.981 120.500 0.037 0.000 2.073 82 R HA -0.180 4.161 4.340 0.001 0.000 0.234 82 R C 2.318 178.651 176.300 0.055 0.000 1.134 82 R CA 1.954 58.071 56.100 0.029 0.000 0.952 82 R CB -0.167 30.147 30.300 0.023 0.000 0.850 82 R HN 0.815 9.085 8.270 -0.000 0.000 0.433 83 E N -0.873 119.373 120.200 0.076 0.000 2.106 83 E HA -0.221 4.129 4.350 0.001 0.000 0.192 83 E C 1.697 178.384 176.600 0.146 0.000 0.984 83 E CA 1.085 57.541 56.400 0.093 0.000 0.806 83 E CB -0.175 29.576 29.700 0.085 0.000 0.750 83 E HN 0.346 8.706 8.360 -0.000 0.000 0.458 84 Y N 1.751 122.059 120.300 0.013 0.000 2.263 84 Y HA -0.109 4.441 4.550 0.001 0.000 0.292 84 Y C 2.326 178.243 175.900 0.029 0.000 1.130 84 Y CA 1.314 59.424 58.100 0.017 0.000 1.179 84 Y CB -0.054 38.410 38.460 0.005 0.000 0.998 84 Y HN -0.178 8.102 8.280 -0.000 0.000 0.532 85 R N 0.455 120.949 120.500 -0.010 0.000 2.083 85 R HA -0.205 4.136 4.340 0.001 0.000 0.237 85 R C 1.995 178.308 176.300 0.021 0.000 1.137 85 R CA 2.159 58.211 56.100 -0.080 0.000 0.951 85 R CB -0.258 29.976 30.300 -0.111 0.000 0.851 85 R HN 0.422 8.692 8.270 -0.000 0.000 0.434 86 E N 0.148 120.379 120.200 0.050 0.000 2.153 86 E HA -0.225 4.126 4.350 0.001 0.000 0.194 86 E C 1.934 178.565 176.600 0.052 0.000 0.988 86 E CA 1.508 57.955 56.400 0.078 0.000 0.811 86 E CB 0.029 29.772 29.700 0.071 0.000 0.746 86 E HN 0.301 8.661 8.360 -0.000 0.000 0.466 87 K N 0.739 121.151 120.400 0.021 0.000 2.002 87 K HA -0.144 4.177 4.320 0.001 0.000 0.209 87 K C 1.980 178.557 176.600 -0.039 0.000 1.048 87 K CA 1.330 57.621 56.287 0.006 0.000 0.930 87 K CB -0.205 32.324 32.500 0.048 0.000 0.714 87 K HN -0.064 8.186 8.250 -0.000 0.000 0.438 88 V N 1.936 121.769 119.914 -0.135 0.000 2.332 88 V HA -0.243 3.878 4.120 0.001 0.000 0.248 88 V C 2.344 178.458 176.094 0.034 0.000 1.055 88 V CA 2.045 64.287 62.300 -0.095 0.000 1.038 88 V CB -0.494 31.226 31.823 -0.172 0.000 0.651 88 V HN 0.437 8.627 8.190 -0.000 0.000 0.450 89 E N 0.095 120.364 120.200 0.116 0.000 2.013 89 E HA -0.245 4.106 4.350 0.001 0.000 0.202 89 E C 2.279 178.891 176.600 0.020 0.000 1.018 89 E CA 2.253 58.714 56.400 0.102 0.000 0.834 89 E CB -0.425 29.380 29.700 0.176 0.000 0.770 89 E HN 0.628 8.988 8.360 -0.000 0.000 0.459 90 T N 0.947 115.520 114.554 0.031 0.000 2.685 90 T HA -0.239 4.112 4.350 0.001 0.000 0.268 90 T C 1.778 176.485 174.700 0.011 0.000 1.034 90 T CA 1.730 63.842 62.100 0.019 0.000 1.149 90 T CB -0.308 68.576 68.868 0.026 0.000 0.860 90 T HN 0.275 8.515 8.240 -0.000 0.000 0.449 91 E N 0.462 120.668 120.200 0.010 0.000 2.051 91 E HA -0.091 4.260 4.350 0.001 0.000 0.192 91 E C 2.191 178.797 176.600 0.009 0.000 0.991 91 E CA 0.828 57.234 56.400 0.011 0.000 0.799 91 E CB -0.222 29.481 29.700 0.006 0.000 0.748 91 E HN 0.453 8.813 8.360 -0.000 0.000 0.449 92 L N 0.672 121.890 121.223 -0.008 0.000 2.046 92 L HA -0.245 4.096 4.340 0.001 0.000 0.208 92 L C 2.390 179.253 176.870 -0.011 0.000 1.077 92 L CA 1.438 56.264 54.840 -0.023 0.000 0.747 92 L CB -0.154 41.853 42.059 -0.087 0.000 0.896 92 L HN 0.228 8.458 8.230 -0.000 0.000 0.432 93 Q N -0.576 119.209 119.800 -0.025 0.000 2.170 93 Q HA -0.169 4.171 4.340 0.001 0.000 0.203 93 Q C 2.034 178.033 176.000 -0.000 0.000 0.976 93 Q CA 1.342 57.136 55.803 -0.016 0.000 0.858 93 Q CB -0.335 28.392 28.738 -0.018 0.000 0.907 93 Q HN 0.722 8.992 8.270 -0.000 0.000 0.433 94 G N -0.002 108.803 108.800 0.008 0.000 2.394 94 G HA2 -0.165 3.796 3.960 0.001 0.000 0.215 94 G HA3 -0.165 3.796 3.960 0.001 0.000 0.215 94 G C 1.494 176.409 174.900 0.024 0.000 1.165 94 G CA 0.521 45.629 45.100 0.012 0.000 0.784 94 G HN 0.179 8.469 8.290 -0.000 0.000 0.535 95 V N 0.694 120.642 119.914 0.055 0.000 2.261 95 V HA -0.231 3.890 4.120 0.001 0.000 0.246 95 V C 3.073 179.206 176.094 0.063 0.000 1.047 95 V CA 1.866 64.233 62.300 0.110 0.000 1.015 95 V CB -0.786 31.139 31.823 0.170 0.000 0.642 95 V HN 0.491 8.681 8.190 -0.000 0.000 0.446 96 C N 0.157 119.511 119.300 0.089 0.000 2.398 96 C HA -0.202 4.259 4.460 0.001 0.000 0.276 96 C C 2.543 177.481 174.990 -0.087 0.000 1.222 96 C CA 1.179 60.252 59.018 0.092 0.000 1.746 96 C CB -1.156 26.648 27.740 0.108 0.000 2.039 96 C HN 0.619 8.849 8.230 -0.000 0.000 0.470 97 D N 0.086 120.439 120.400 -0.079 0.000 2.117 97 D HA -0.093 4.548 4.640 0.001 0.000 0.197 97 D C 2.195 178.408 176.300 -0.143 0.000 0.987 97 D CA 1.543 55.474 54.000 -0.115 0.000 0.829 97 D CB -0.714 40.048 40.800 -0.064 0.000 0.961 97 D HN 0.443 8.813 8.370 -0.000 0.000 0.460 98 T N 0.732 115.215 114.554 -0.118 0.000 2.684 98 T HA -0.108 4.242 4.350 0.001 0.000 0.267 98 T C 2.256 176.782 174.700 -0.290 0.000 1.036 98 T CA 0.907 62.926 62.100 -0.135 0.000 1.148 98 T CB -0.302 68.541 68.868 -0.043 0.000 0.863 98 T HN -0.021 8.219 8.240 -0.000 0.000 0.436 99 V N 1.375 121.007 119.914 -0.470 0.000 2.295 99 V HA -0.099 4.022 4.120 0.001 0.000 0.246 99 V C 2.505 178.299 176.094 -0.501 0.000 1.049 99 V CA 1.456 63.317 62.300 -0.732 0.000 1.024 99 V CB -0.687 30.442 31.823 -1.157 0.000 0.648 99 V HN 0.424 8.614 8.190 -0.000 0.000 0.447 100 L N 0.364 121.338 121.223 -0.415 0.000 2.131 100 L HA -0.110 4.231 4.340 0.001 0.000 0.210 100 L C 2.554 179.274 176.870 -0.250 0.000 1.092 100 L CA 1.584 56.206 54.840 -0.362 0.000 0.759 100 L CB -1.008 40.790 42.059 -0.435 0.000 0.903 100 L HN 0.492 8.722 8.230 -0.000 0.000 0.435 101 G N -0.184 108.492 108.800 -0.206 0.000 2.434 101 G HA2 -0.220 3.741 3.960 0.001 0.000 0.214 101 G HA3 -0.220 3.741 3.960 0.001 0.000 0.214 101 G C 1.465 176.295 174.900 -0.117 0.000 1.202 101 G CA 0.181 45.199 45.100 -0.138 0.000 0.788 101 G HN 0.072 8.362 8.290 -0.000 0.000 0.539 102 L N 0.611 121.762 121.223 -0.121 0.000 2.021 102 L HA -0.088 4.253 4.340 0.001 0.000 0.215 102 L C 3.021 179.834 176.870 -0.095 0.000 1.074 102 L CA 1.296 56.107 54.840 -0.048 0.000 0.760 102 L CB -1.225 40.748 42.059 -0.144 0.000 0.889 102 L HN 0.224 8.454 8.230 -0.000 0.000 0.433 103 L N -0.984 120.127 121.223 -0.187 0.000 1.989 103 L HA -0.254 4.086 4.340 0.001 0.000 0.211 103 L C 2.210 178.984 176.870 -0.162 0.000 1.071 103 L CA 1.598 56.318 54.840 -0.201 0.000 0.749 103 L CB -0.555 41.390 42.059 -0.191 0.000 0.890 103 L HN 0.212 8.442 8.230 -0.000 0.000 0.431 104 D N -0.754 119.562 120.400 -0.141 0.000 2.117 104 D HA -0.153 4.488 4.640 0.001 0.000 0.198 104 D C 2.308 178.517 176.300 -0.153 0.000 0.982 104 D CA 1.520 55.447 54.000 -0.121 0.000 0.828 104 D CB 0.056 40.795 40.800 -0.102 0.000 0.967 104 D HN 0.270 8.640 8.370 -0.000 0.000 0.464 105 S N -1.524 114.058 115.700 -0.197 0.000 2.528 105 S HA -0.004 4.467 4.470 0.001 0.000 0.219 105 S C 1.193 175.411 174.600 -0.637 0.000 0.985 105 S CA 0.506 58.489 58.200 -0.363 0.000 0.914 105 S CB -0.013 62.961 63.200 -0.376 0.000 0.776 105 S HN 0.351 8.661 8.310 -0.000 0.000 0.526 106 H N -0.180 118.813 119.070 -0.128 0.000 1.855 106 H HA 0.342 4.898 4.556 -0.001 0.000 0.178 106 H C 1.652 176.864 175.328 -0.193 0.000 0.923 106 H CA 0.374 56.342 56.048 -0.134 0.000 0.993 106 H CB -0.143 29.544 29.762 -0.125 0.000 1.078 106 H HN 0.221 8.501 8.280 -0.000 0.000 0.349 107 L N 1.409 122.529 121.223 -0.171 0.000 2.131 107 L HA 0.109 4.450 4.340 0.001 0.000 0.206 107 L C 0.882 177.492 176.870 -0.433 0.000 1.087 107 L CA 0.601 55.133 54.840 -0.515 0.000 0.767 107 L CB -0.039 41.427 42.059 -0.988 0.000 0.917 107 L HN 0.017 8.247 8.230 -0.000 0.000 0.441 108 I N 0.469 120.898 120.570 -0.234 0.000 2.533 108 I HA 0.004 4.175 4.170 0.001 0.000 0.284 108 I C -0.002 176.100 176.117 -0.026 0.000 1.109 108 I CA 0.476 61.736 61.300 -0.066 0.000 1.412 108 I CB 0.538 38.513 38.000 -0.042 0.000 1.396 108 I HN -0.046 8.164 8.210 -0.000 0.000 0.543 109 K N 3.236 123.656 120.400 0.033 0.000 2.499 109 K HA 0.469 4.789 4.320 0.001 0.000 0.277 109 K C -0.726 175.897 176.600 0.039 0.000 1.025 109 K CA -0.911 55.393 56.287 0.028 0.000 0.900 109 K CB 2.321 34.843 32.500 0.037 0.000 1.494 109 K HN 0.535 8.785 8.250 -0.000 0.000 0.442 110 E N -0.900 119.315 120.200 0.026 0.000 0.000 110 E HA 0.892 5.243 4.350 0.001 0.000 0.000 110 E C -0.376 176.241 176.600 0.027 0.000 0.000 110 E CA 0.024 56.438 56.400 0.024 0.000 0.000 110 E CB 1.849 31.556 29.700 0.012 0.000 0.000 110 E HN 0.925 9.285 8.360 -0.000 0.000 0.000 111 A N -1.450 121.370 122.820 -0.000 0.000 0.000 111 A HA 0.693 5.014 4.320 0.001 0.000 0.000 111 A C 0.263 177.870 177.584 0.038 0.000 0.000 111 A CA -0.040 52.013 52.037 0.028 0.000 0.000 111 A CB 0.618 19.618 19.000 -0.000 0.000 0.000 111 A HN 0.795 8.945 8.150 -0.000 0.000 0.000 112 G N -0.778 108.051 108.800 0.048 0.000 2.560 112 G HA2 0.456 4.417 3.960 0.001 0.000 0.212 112 G HA3 0.456 4.417 3.960 0.001 0.000 0.212 112 G C -0.157 174.766 174.900 0.038 0.000 2.038 112 G CA 0.838 45.960 45.100 0.037 0.000 0.728 112 G HN 0.914 9.204 8.290 -0.000 0.000 0.784 113 D N 0.790 121.211 120.400 0.036 0.000 2.455 113 D HA 0.398 5.039 4.640 0.001 0.000 0.241 113 D C 1.432 177.748 176.300 0.027 0.000 1.138 113 D CA 0.574 54.587 54.000 0.023 0.000 0.877 113 D CB 1.483 42.288 40.800 0.008 0.000 1.187 113 D HN 0.279 8.649 8.370 -0.000 0.000 0.451 114 A N 3.902 126.735 122.820 0.021 0.000 1.929 114 A HA -0.130 4.191 4.320 0.001 0.000 0.216 114 A C 1.910 179.509 177.584 0.025 0.000 1.176 114 A CA 1.130 53.182 52.037 0.026 0.000 0.628 114 A CB -0.445 18.569 19.000 0.022 0.000 0.816 114 A HN 0.781 8.931 8.150 -0.000 0.000 0.444 115 E N 0.308 120.513 120.200 0.008 0.000 2.153 115 E HA -0.147 4.204 4.350 0.001 0.000 0.194 115 E C 2.328 178.918 176.600 -0.016 0.000 0.988 115 E CA 1.431 57.833 56.400 0.002 0.000 0.811 115 E CB -0.089 29.598 29.700 -0.021 0.000 0.746 115 E HN 0.815 9.175 8.360 -0.000 0.000 0.466 116 S N 0.338 116.006 115.700 -0.053 0.000 2.395 116 S HA -0.082 4.389 4.470 0.001 0.000 0.225 116 S C 2.315 176.904 174.600 -0.018 0.000 1.027 116 S CA 0.860 58.971 58.200 -0.148 0.000 0.965 116 S CB -0.501 62.648 63.200 -0.085 0.000 0.812 116 S HN 0.264 8.574 8.310 -0.000 0.000 0.482 117 R N 1.577 122.130 120.500 0.088 0.000 2.081 117 R HA 0.165 4.506 4.340 0.001 0.000 0.235 117 R C 2.494 178.861 176.300 0.112 0.000 1.131 117 R CA 1.649 57.835 56.100 0.142 0.000 0.960 117 R CB -1.853 28.505 30.300 0.096 0.000 0.856 117 R HN 0.411 8.681 8.270 -0.000 0.000 0.436 118 V N -0.077 119.881 119.914 0.074 0.000 2.343 118 V HA -0.141 3.980 4.120 0.001 0.000 0.247 118 V C 2.255 178.382 176.094 0.055 0.000 1.051 118 V CA 1.855 64.190 62.300 0.057 0.000 1.036 118 V CB -0.666 31.189 31.823 0.053 0.000 0.654 118 V HN 0.601 8.791 8.190 -0.000 0.000 0.451 119 F N 0.062 119.946 119.950 -0.110 0.000 2.102 119 F HA -0.229 4.298 4.527 0.001 0.000 0.298 119 F C 2.236 177.965 175.800 -0.119 0.000 1.105 119 F CA 1.881 59.779 58.000 -0.171 0.000 1.239 119 F CB -0.318 38.472 39.000 -0.349 0.000 0.991 119 F HN 0.179 8.479 8.300 -0.000 0.000 0.474 120 Y N 0.114 120.531 120.300 0.194 0.000 2.263 120 Y HA -0.078 4.474 4.550 0.003 0.000 0.292 120 Y C 2.243 178.106 175.900 -0.062 0.000 1.130 120 Y CA 1.082 59.222 58.100 0.067 0.000 1.179 120 Y CB -0.964 37.558 38.460 0.104 0.000 0.998 120 Y HN 0.053 8.333 8.280 -0.000 0.000 0.532 121 L N -0.104 121.176 121.223 0.096 0.000 2.217 121 L HA -0.163 4.178 4.340 0.001 0.000 0.211 121 L C 2.485 179.293 176.870 -0.104 0.000 1.107 121 L CA 1.183 56.014 54.840 -0.015 0.000 0.783 121 L CB -0.350 41.702 42.059 -0.013 0.000 0.919 121 L HN 0.121 8.351 8.230 -0.000 0.000 0.442 122 K N 0.387 120.733 120.400 -0.090 0.000 2.057 122 K HA -0.212 4.109 4.320 0.001 0.000 0.206 122 K C 2.231 178.749 176.600 -0.136 0.000 1.050 122 K CA 1.423 57.665 56.287 -0.075 0.000 0.935 122 K CB -0.036 32.402 32.500 -0.103 0.000 0.715 122 K HN 0.153 8.403 8.250 -0.000 0.000 0.439 123 M N 1.158 120.643 119.600 -0.191 0.000 2.117 123 M HA -0.223 4.258 4.480 0.001 0.000 0.262 123 M C 2.161 178.430 176.300 -0.052 0.000 1.065 123 M CA 1.820 57.060 55.300 -0.099 0.000 1.114 123 M CB -0.121 32.410 32.600 -0.115 0.000 1.361 123 M HN 0.044 8.334 8.290 -0.000 0.000 0.408 124 K N -0.322 119.999 120.400 -0.132 0.000 2.044 124 K HA -0.167 4.154 4.320 0.001 0.000 0.210 124 K C 1.819 178.283 176.600 -0.227 0.000 1.049 124 K CA 2.043 58.227 56.287 -0.172 0.000 0.927 124 K CB -0.792 31.644 32.500 -0.107 0.000 0.713 124 K HN 0.465 8.715 8.250 -0.000 0.000 0.443 125 G N 0.678 109.182 108.800 -0.494 0.000 2.440 125 G HA2 -0.261 3.700 3.960 0.001 0.000 0.218 125 G HA3 -0.261 3.700 3.960 0.001 0.000 0.218 125 G C 1.050 175.463 174.900 -0.812 0.000 1.154 125 G CA 1.154 45.573 45.100 -1.135 0.000 0.767 125 G HN 0.386 8.676 8.290 -0.000 0.000 0.552 126 D N -0.360 119.773 120.400 -0.445 0.000 2.144 126 D HA -0.072 4.569 4.640 0.001 0.000 0.199 126 D C 1.954 177.711 176.300 -0.906 0.000 0.984 126 D CA 0.859 54.568 54.000 -0.486 0.000 0.834 126 D CB -0.155 40.393 40.800 -0.420 0.000 0.955 126 D HN 0.457 8.827 8.370 -0.000 0.000 0.465 127 Y N -0.862 119.104 120.300 -0.555 0.000 2.397 127 Y HA -0.044 4.508 4.550 0.003 0.000 0.292 127 Y C 1.990 177.704 175.900 -0.311 0.000 1.115 127 Y CA 0.284 58.125 58.100 -0.431 0.000 1.208 127 Y CB -0.284 37.998 38.460 -0.297 0.000 1.046 127 Y HN -0.058 8.222 8.280 -0.000 0.000 0.552 128 Y N -0.435 119.765 120.300 -0.166 0.000 2.128 128 Y HA -0.295 4.256 4.550 0.002 0.000 0.284 128 Y C 2.858 178.680 175.900 -0.129 0.000 1.154 128 Y CA 1.775 59.785 58.100 -0.151 0.000 1.149 128 Y CB -0.975 37.354 38.460 -0.217 0.000 0.976 128 Y HN -0.116 8.164 8.280 -0.000 0.000 0.505 129 R N -0.452 120.017 120.500 -0.052 0.000 2.103 129 R HA -0.231 4.110 4.340 0.001 0.000 0.242 129 R C 2.062 178.395 176.300 0.055 0.000 1.142 129 R CA 2.077 58.195 56.100 0.031 0.000 0.960 129 R CB -1.523 28.780 30.300 0.006 0.000 0.858 129 R HN 0.549 8.819 8.270 -0.000 0.000 0.439 130 Y N 0.791 121.058 120.300 -0.054 0.000 2.181 130 Y HA 0.060 4.611 4.550 0.001 0.000 0.288 130 Y C 2.356 178.182 175.900 -0.124 0.000 1.146 130 Y CA 1.081 59.109 58.100 -0.119 0.000 1.164 130 Y CB -0.949 37.394 38.460 -0.196 0.000 0.982 130 Y HN 0.121 8.401 8.280 -0.000 0.000 0.515 131 L N -0.742 120.531 121.223 0.084 0.000 2.079 131 L HA -0.259 4.082 4.340 0.001 0.000 0.210 131 L C 2.608 179.483 176.870 0.007 0.000 1.081 131 L CA 1.173 56.026 54.840 0.022 0.000 0.752 131 L CB -0.759 41.337 42.059 0.061 0.000 0.896 131 L HN 0.229 8.459 8.230 -0.000 0.000 0.433 132 A N -0.194 122.661 122.820 0.059 0.000 1.898 132 A HA -0.219 4.102 4.320 0.001 0.000 0.216 132 A C 2.083 179.673 177.584 0.011 0.000 1.181 132 A CA 1.476 53.551 52.037 0.064 0.000 0.620 132 A CB -0.457 18.627 19.000 0.139 0.000 0.819 132 A HN 0.428 8.578 8.150 -0.000 0.000 0.442 133 E N -0.815 119.378 120.200 -0.011 0.000 2.273 133 E HA -0.124 4.227 4.350 0.001 0.000 0.198 133 E C 1.269 177.725 176.600 -0.240 0.000 1.002 133 E CA 1.158 57.517 56.400 -0.068 0.000 0.828 133 E CB -0.090 29.570 29.700 -0.067 0.000 0.747 133 E HN 0.389 8.749 8.360 -0.000 0.000 0.491 134 V N -0.133 119.583 119.914 -0.331 0.000 3.605 134 V HA 0.209 4.330 4.120 0.001 0.000 0.284 134 V C 0.373 176.412 176.094 -0.092 0.000 1.386 134 V CA 0.274 62.283 62.300 -0.485 0.000 1.053 134 V CB 0.688 32.072 31.823 -0.733 0.000 0.857 134 V HN 0.138 8.328 8.190 -0.000 0.000 0.436 135 A N -0.230 122.571 122.820 -0.032 0.000 2.316 135 A HA 0.491 4.811 4.320 0.001 0.000 0.284 135 A C 1.329 178.946 177.584 0.054 0.000 1.115 135 A CA 0.336 52.385 52.037 0.020 0.000 0.812 135 A CB 0.745 19.759 19.000 0.022 0.000 1.064 135 A HN 0.240 8.390 8.150 -0.000 0.000 0.489 136 T N 2.261 116.849 114.554 0.057 0.000 2.706 136 T HA 0.144 4.495 4.350 0.001 0.000 0.255 136 T C 1.694 176.420 174.700 0.042 0.000 1.048 136 T CA 1.253 63.388 62.100 0.058 0.000 1.153 136 T CB -0.806 68.093 68.868 0.053 0.000 0.865 136 T HN 1.269 9.509 8.240 -0.000 0.000 0.414 137 G N 3.008 111.828 108.800 0.034 0.000 2.497 137 G HA2 -0.256 3.705 3.960 0.001 0.000 1.026 137 G HA3 -0.256 3.705 3.960 0.001 0.000 1.026 137 G C -0.166 174.746 174.900 0.020 0.000 1.177 137 G CA 0.391 45.506 45.100 0.026 0.000 1.439 137 G HN 0.702 8.992 8.290 -0.000 0.000 0.873 138 D N 0.242 120.651 120.400 0.015 0.000 2.570 138 D HA -0.038 4.603 4.640 0.001 0.000 0.243 138 D C 0.040 176.349 176.300 0.015 0.000 1.171 138 D CA 0.582 54.590 54.000 0.014 0.000 0.879 138 D CB 0.340 41.145 40.800 0.008 0.000 1.143 138 D HN 0.386 8.756 8.370 -0.000 0.000 0.511 139 D N 2.280 122.690 120.400 0.018 0.000 2.380 139 D HA 0.006 4.647 4.640 0.001 0.000 0.270 139 D C 0.684 176.999 176.300 0.025 0.000 1.363 139 D CA 0.386 54.397 54.000 0.019 0.000 1.057 139 D CB 0.157 40.971 40.800 0.022 0.000 1.096 139 D HN 0.640 9.010 8.370 -0.000 0.000 0.524 140 K N 1.582 121.997 120.400 0.024 0.000 3.074 140 K HA -0.056 4.265 4.320 0.001 0.000 0.199 140 K C 2.038 178.657 176.600 0.032 0.000 2.101 140 K CA 0.272 56.579 56.287 0.032 0.000 1.479 140 K CB -0.749 31.770 32.500 0.032 0.000 2.392 140 K HN 0.019 8.269 8.250 -0.000 0.000 0.591 141 K N 1.225 121.639 120.400 0.022 0.000 2.160 141 K HA -0.157 4.164 4.320 0.001 0.000 0.206 141 K C 2.298 178.906 176.600 0.013 0.000 1.047 141 K CA 2.355 58.653 56.287 0.020 0.000 0.930 141 K CB -1.416 31.090 32.500 0.010 0.000 0.720 141 K HN 0.460 8.710 8.250 -0.000 0.000 0.450 142 R N 0.365 120.866 120.500 0.003 0.000 2.066 142 R HA 0.056 4.397 4.340 0.001 0.000 0.232 142 R C 2.775 179.044 176.300 -0.051 0.000 1.131 142 R CA 2.106 58.194 56.100 -0.020 0.000 0.955 142 R CB -1.692 28.601 30.300 -0.013 0.000 0.851 142 R HN 1.084 9.354 8.270 -0.000 0.000 0.432 143 I N -0.871 119.687 120.570 -0.021 0.000 2.406 143 I HA 0.076 4.247 4.170 0.001 0.000 0.249 143 I C 2.397 178.486 176.117 -0.048 0.000 1.122 143 I CA 1.272 62.546 61.300 -0.044 0.000 1.431 143 I CB -0.821 37.231 38.000 0.087 0.000 1.087 143 I HN 0.490 8.700 8.210 -0.000 0.000 0.424 144 I N 1.224 121.833 120.570 0.066 0.000 2.194 144 I HA -0.290 3.881 4.170 0.001 0.000 0.246 144 I C 2.504 178.718 176.117 0.162 0.000 1.093 144 I CA 2.431 63.855 61.300 0.206 0.000 1.355 144 I CB -0.810 37.301 38.000 0.185 0.000 1.046 144 I HN 0.310 8.520 8.210 -0.000 0.000 0.413 145 D N 0.557 120.981 120.400 0.039 0.000 2.092 145 D HA -0.155 4.486 4.640 0.001 0.000 0.193 145 D C 2.400 178.606 176.300 -0.156 0.000 0.994 145 D CA 1.578 55.572 54.000 -0.010 0.000 0.828 145 D CB -0.262 40.515 40.800 -0.037 0.000 0.963 145 D HN 0.187 8.557 8.370 -0.000 0.000 0.450 146 S N 0.345 115.839 115.700 -0.344 0.000 2.383 146 S HA -0.174 4.297 4.470 0.001 0.000 0.229 146 S C 2.067 176.237 174.600 -0.717 0.000 1.030 146 S CA 1.134 58.924 58.200 -0.683 0.000 1.002 146 S CB -0.326 62.093 63.200 -1.303 0.000 0.829 146 S HN 0.389 8.699 8.310 -0.000 0.000 0.467 147 A N 2.119 124.601 122.820 -0.564 0.000 1.865 147 A HA -0.165 4.155 4.320 0.001 0.000 0.217 147 A C 2.110 179.273 177.584 -0.703 0.000 1.191 147 A CA 1.800 53.469 52.037 -0.613 0.000 0.623 147 A CB -0.658 18.011 19.000 -0.553 0.000 0.826 147 A HN 0.472 8.621 8.150 -0.000 0.000 0.444 148 R N -0.405 119.872 120.500 -0.372 0.000 2.091 148 R HA -0.137 4.204 4.340 0.001 0.000 0.238 148 R C 2.463 178.674 176.300 -0.148 0.000 1.136 148 R CA 1.961 58.012 56.100 -0.081 0.000 0.959 148 R CB -0.387 30.099 30.300 0.310 0.000 0.856 148 R HN 0.514 8.784 8.270 -0.000 0.000 0.437 149 S N -0.221 115.375 115.700 -0.174 0.000 2.368 149 S HA -0.114 4.357 4.470 0.001 0.000 0.225 149 S C 2.006 176.486 174.600 -0.201 0.000 1.030 149 S CA 1.198 59.310 58.200 -0.145 0.000 0.999 149 S CB -0.255 62.859 63.200 -0.143 0.000 0.844 149 S HN 0.537 8.847 8.310 -0.000 0.000 0.459 150 A N 0.540 123.181 122.820 -0.299 0.000 1.858 150 A HA -0.018 4.303 4.320 0.001 0.000 0.216 150 A C 2.005 179.388 177.584 -0.335 0.000 1.190 150 A CA 1.744 53.603 52.037 -0.298 0.000 0.617 150 A CB -1.383 17.411 19.000 -0.343 0.000 0.827 150 A HN 0.644 8.794 8.150 -0.000 0.000 0.443 151 Y N -0.339 119.646 120.300 -0.525 0.000 2.151 151 Y HA -0.247 4.304 4.550 0.002 0.000 0.284 151 Y C 2.687 178.173 175.900 -0.689 0.000 1.166 151 Y CA 1.812 59.422 58.100 -0.816 0.000 1.163 151 Y CB -0.875 36.575 38.460 -1.684 0.000 0.974 151 Y HN 0.424 8.704 8.280 -0.000 0.000 0.511 152 Q N 0.296 119.879 119.800 -0.363 0.000 2.167 152 Q HA -0.160 4.180 4.340 0.001 0.000 0.202 152 Q C 2.150 178.123 176.000 -0.046 0.000 0.970 152 Q CA 1.666 57.410 55.803 -0.099 0.000 0.855 152 Q CB -0.240 28.520 28.738 0.038 0.000 0.911 152 Q HN 0.564 8.834 8.270 -0.000 0.000 0.438 153 E N -1.150 119.005 120.200 -0.076 0.000 2.106 153 E HA -0.147 4.204 4.350 0.001 0.000 0.192 153 E C 1.675 178.261 176.600 -0.024 0.000 0.984 153 E CA 0.805 57.182 56.400 -0.039 0.000 0.806 153 E CB -0.082 29.590 29.700 -0.047 0.000 0.750 153 E HN 0.441 8.801 8.360 -0.000 0.000 0.458 154 A N 1.045 123.839 122.820 -0.044 0.000 1.902 154 A HA -0.190 4.131 4.320 0.001 0.000 0.217 154 A C 2.150 179.740 177.584 0.010 0.000 1.181 154 A CA 1.324 53.353 52.037 -0.014 0.000 0.623 154 A CB -0.369 18.619 19.000 -0.020 0.000 0.818 154 A HN 0.226 8.376 8.150 -0.000 0.000 0.443 155 M N 0.093 119.698 119.600 0.008 0.000 2.080 155 M HA -0.154 4.327 4.480 0.001 0.000 0.260 155 M C 1.558 177.896 176.300 0.065 0.000 1.068 155 M CA 1.680 57.020 55.300 0.067 0.000 1.109 155 M CB -1.497 31.188 32.600 0.141 0.000 1.342 155 M HN 0.379 8.669 8.290 -0.000 0.000 0.405 156 D N 0.362 120.793 120.400 0.052 0.000 2.117 156 D HA -0.098 4.543 4.640 0.001 0.000 0.197 156 D C 2.112 178.435 176.300 0.039 0.000 0.987 156 D CA 1.193 55.222 54.000 0.048 0.000 0.829 156 D CB -0.339 40.484 40.800 0.038 0.000 0.961 156 D HN 0.365 8.735 8.370 -0.000 0.000 0.460 157 I N 1.221 121.811 120.570 0.032 0.000 2.179 157 I HA -0.265 3.906 4.170 0.001 0.000 0.242 157 I C 2.507 178.644 176.117 0.034 0.000 1.088 157 I CA 1.322 62.640 61.300 0.031 0.000 1.357 157 I CB -0.220 37.797 38.000 0.029 0.000 1.051 157 I HN 0.011 8.221 8.210 -0.000 0.000 0.409 158 S N 0.586 116.309 115.700 0.038 0.000 2.383 158 S HA -0.181 4.290 4.470 0.001 0.000 0.227 158 S C 1.954 176.578 174.600 0.040 0.000 1.026 158 S CA 0.836 59.059 58.200 0.040 0.000 0.981 158 S CB -0.426 62.801 63.200 0.045 0.000 0.818 158 S HN 0.357 8.667 8.310 -0.000 0.000 0.472 159 K N 1.107 121.535 120.400 0.047 0.000 2.103 159 K HA -0.068 4.253 4.320 0.001 0.000 0.207 159 K C 2.444 179.066 176.600 0.037 0.000 1.048 159 K CA 1.566 57.881 56.287 0.046 0.000 0.930 159 K CB -0.087 32.446 32.500 0.054 0.000 0.716 159 K HN 0.346 8.596 8.250 -0.000 0.000 0.444 160 K N 0.497 120.917 120.400 0.033 0.000 2.099 160 K HA 0.022 4.343 4.320 0.001 0.000 0.203 160 K C 1.614 178.229 176.600 0.024 0.000 1.047 160 K CA 1.047 57.350 56.287 0.028 0.000 0.963 160 K CB -0.068 32.448 32.500 0.026 0.000 0.759 160 K HN 0.339 8.589 8.250 -0.000 0.000 0.451 161 E N -0.409 119.806 120.200 0.024 0.000 2.474 161 E HA 0.254 4.604 4.350 0.001 0.000 0.195 161 E C 0.073 176.685 176.600 0.020 0.000 1.039 161 E CA 0.097 56.510 56.400 0.021 0.000 0.881 161 E CB 0.257 29.970 29.700 0.022 0.000 0.970 161 E HN 0.356 8.716 8.360 -0.000 0.000 0.486 162 M N 0.999 120.613 119.600 0.022 0.000 2.619 162 M HA 0.403 4.884 4.480 0.001 0.000 0.297 162 M C -2.642 173.669 176.300 0.019 0.000 1.229 162 M CA -2.267 53.045 55.300 0.020 0.000 0.860 162 M CB 2.469 35.083 32.600 0.024 0.000 1.741 162 M HN -0.252 8.038 8.290 -0.000 0.000 0.462 163 P HA 0.279 4.699 4.420 -0.000 0.000 0.281 163 P C -2.395 174.915 177.300 0.016 0.000 1.249 163 P CA -1.398 61.711 63.100 0.014 0.000 0.810 163 P CB 0.267 31.971 31.700 0.007 0.000 1.008 164 P HA -0.160 4.260 4.420 -0.000 0.000 0.221 164 P C 1.103 178.406 177.300 0.005 0.000 1.141 164 P CA 1.695 64.805 63.100 0.017 0.000 0.794 164 P CB -0.642 31.068 31.700 0.016 0.000 0.764 165 T N -5.390 109.163 114.554 -0.001 0.000 3.107 165 T HA 0.025 4.376 4.350 0.001 0.000 0.249 165 T C 0.881 175.579 174.700 -0.004 0.000 1.096 165 T CA -0.441 61.651 62.100 -0.013 0.000 1.012 165 T CB -0.752 68.106 68.868 -0.017 0.000 0.977 165 T HN -0.023 8.217 8.240 -0.000 0.000 0.527 166 N N 2.905 121.610 118.700 0.008 0.000 2.468 166 N HA 0.073 4.813 4.740 0.001 0.000 0.265 166 N C -1.828 173.695 175.510 0.022 0.000 1.199 166 N CA -1.469 51.590 53.050 0.014 0.000 0.928 166 N CB 1.624 40.123 38.487 0.020 0.000 1.059 166 N HN 0.009 8.389 8.380 -0.000 0.000 0.467 167 P HA -0.120 4.300 4.420 -0.000 0.000 0.218 167 P C 1.217 178.548 177.300 0.051 0.000 1.146 167 P CA 1.223 64.342 63.100 0.032 0.000 0.813 167 P CB 0.337 32.056 31.700 0.031 0.000 0.778 168 I N -1.327 119.279 120.570 0.059 0.000 2.339 168 I HA -0.078 4.093 4.170 0.001 0.000 0.245 168 I C 2.737 178.890 176.117 0.061 0.000 1.096 168 I CA 0.673 62.023 61.300 0.083 0.000 1.408 168 I CB -0.334 37.730 38.000 0.106 0.000 1.092 168 I HN -0.208 8.002 8.210 -0.000 0.000 0.423 169 R N 1.365 121.895 120.500 0.051 0.000 2.105 169 R HA -0.169 4.171 4.340 0.001 0.000 0.239 169 R C 2.209 178.540 176.300 0.052 0.000 1.135 169 R CA 1.499 57.628 56.100 0.049 0.000 0.967 169 R CB -0.157 30.169 30.300 0.044 0.000 0.861 169 R HN 0.331 8.601 8.270 -0.000 0.000 0.442 170 L N -0.861 120.390 121.223 0.046 0.000 2.072 170 L HA 0.015 4.356 4.340 0.001 0.000 0.205 170 L C 2.567 179.468 176.870 0.051 0.000 1.079 170 L CA 1.186 56.054 54.840 0.048 0.000 0.752 170 L CB -0.600 41.479 42.059 0.033 0.000 0.906 170 L HN 0.421 8.651 8.230 -0.000 0.000 0.436 171 G N 0.253 109.080 108.800 0.045 0.000 2.408 171 G HA2 -0.262 3.698 3.960 0.001 0.000 0.217 171 G HA3 -0.262 3.698 3.960 0.001 0.000 0.217 171 G C 1.568 176.482 174.900 0.024 0.000 1.150 171 G CA 0.723 45.846 45.100 0.039 0.000 0.776 171 G HN 0.214 8.504 8.290 -0.000 0.000 0.542 172 L N 1.520 122.758 121.223 0.023 0.000 1.970 172 L HA 0.113 4.454 4.340 0.001 0.000 0.212 172 L C 3.044 179.924 176.870 0.017 0.000 1.071 172 L CA 2.525 57.367 54.840 0.004 0.000 0.751 172 L CB -0.977 41.097 42.059 0.024 0.000 0.889 172 L HN 0.212 8.442 8.230 -0.000 0.000 0.432 173 A N -0.396 122.473 122.820 0.081 0.000 1.892 173 A HA -0.258 4.062 4.320 0.001 0.000 0.218 173 A C 2.302 179.954 177.584 0.114 0.000 1.188 173 A CA 2.283 54.401 52.037 0.135 0.000 0.631 173 A CB -1.270 17.805 19.000 0.124 0.000 0.822 173 A HN 0.606 8.756 8.150 -0.000 0.000 0.447 174 L N 0.370 121.642 121.223 0.082 0.000 1.956 174 L HA -0.240 4.101 4.340 0.001 0.000 0.216 174 L C 1.949 178.863 176.870 0.073 0.000 1.073 174 L CA 2.809 57.696 54.840 0.079 0.000 0.762 174 L CB -0.867 41.224 42.059 0.054 0.000 0.889 174 L HN 0.386 8.616 8.230 -0.000 0.000 0.433 175 N N -0.906 117.799 118.700 0.008 0.000 2.069 175 N HA -0.231 4.510 4.740 0.001 0.000 0.191 175 N C 1.708 177.133 175.510 -0.141 0.000 1.031 175 N CA 1.605 54.627 53.050 -0.046 0.000 0.852 175 N CB -0.640 37.790 38.487 -0.094 0.000 1.018 175 N HN 0.410 8.790 8.380 -0.000 0.000 0.423 176 F N 1.799 121.418 119.950 -0.551 0.000 2.095 176 F HA -0.168 4.360 4.527 0.002 0.000 0.298 176 F C 2.538 178.194 175.800 -0.240 0.000 1.104 176 F CA 1.466 59.043 58.000 -0.705 0.000 1.232 176 F CB -1.092 37.577 39.000 -0.551 0.000 0.987 176 F HN 0.118 8.418 8.300 -0.000 0.000 0.475 177 S N -0.466 115.268 115.700 0.056 0.000 2.382 177 S HA -0.131 4.340 4.470 0.001 0.000 0.228 177 S C 2.169 176.913 174.600 0.240 0.000 1.027 177 S CA 1.401 59.704 58.200 0.172 0.000 0.991 177 S CB -1.174 62.211 63.200 0.308 0.000 0.823 177 S HN 0.151 8.461 8.310 -0.000 0.000 0.469 178 V N 1.372 121.474 119.914 0.314 0.000 2.358 178 V HA -0.075 4.046 4.120 0.001 0.000 0.246 178 V C 2.156 178.381 176.094 0.219 0.000 1.047 178 V CA 2.016 64.530 62.300 0.357 0.000 1.035 178 V CB -1.110 30.896 31.823 0.305 0.000 0.658 178 V HN 0.637 8.827 8.190 -0.000 0.000 0.452 179 F N 0.515 120.480 119.950 0.025 0.000 2.161 179 F HA -0.226 4.303 4.527 0.002 0.000 0.300 179 F C 2.467 178.255 175.800 -0.021 0.000 1.089 179 F CA 1.963 59.977 58.000 0.023 0.000 1.282 179 F CB -0.422 38.622 39.000 0.074 0.000 1.010 179 F HN 0.245 8.545 8.300 -0.000 0.000 0.485 180 H N -1.191 117.803 119.070 -0.127 0.000 2.293 180 H HA -0.200 4.357 4.556 0.002 0.000 0.300 180 H C 2.022 177.126 175.328 -0.373 0.000 1.082 180 H CA 2.230 58.073 56.048 -0.342 0.000 1.308 180 H CB -1.169 28.420 29.762 -0.290 0.000 1.375 180 H HN 0.471 8.751 8.280 -0.000 0.000 0.495 181 Y N 1.445 121.528 120.300 -0.361 0.000 2.243 181 Y HA -0.079 4.472 4.550 0.001 0.000 0.293 181 Y C 2.274 177.976 175.900 -0.331 0.000 1.124 181 Y CA 1.252 59.033 58.100 -0.533 0.000 1.159 181 Y CB 0.282 38.057 38.460 -1.143 0.000 1.008 181 Y HN 0.174 8.454 8.280 -0.000 0.000 0.527 182 E N -0.893 119.296 120.200 -0.018 0.000 2.190 182 E HA -0.049 4.302 4.350 0.001 0.000 0.191 182 E C 1.438 177.986 176.600 -0.086 0.000 0.978 182 E CA 0.838 57.253 56.400 0.026 0.000 0.839 182 E CB 0.359 30.148 29.700 0.148 0.000 0.787 182 E HN 0.413 8.773 8.360 -0.000 0.000 0.473 183 I N -0.335 120.112 120.570 -0.206 0.000 3.673 183 I HA 0.114 4.285 4.170 0.001 0.000 0.281 183 I C 2.014 177.926 176.117 -0.342 0.000 1.182 183 I CA 0.483 61.641 61.300 -0.237 0.000 1.391 183 I CB -0.754 37.113 38.000 -0.223 0.000 1.383 183 I HN -0.109 8.101 8.210 -0.000 0.000 0.456 184 A N 0.642 123.130 122.820 -0.553 0.000 2.238 184 A HA -0.053 4.268 4.320 0.001 0.000 0.208 184 A C 1.176 178.605 177.584 -0.260 0.000 1.177 184 A CA 0.825 52.613 52.037 -0.415 0.000 0.804 184 A CB -0.874 17.836 19.000 -0.483 0.000 0.823 184 A HN 0.455 8.605 8.150 -0.000 0.000 0.482 185 N N -1.983 116.547 118.700 -0.285 0.000 2.714 185 N HA -0.222 4.519 4.740 0.001 0.000 0.252 185 N C 0.111 175.465 175.510 -0.260 0.000 1.014 185 N CA 1.349 54.233 53.050 -0.276 0.000 0.735 185 N CB -1.796 36.572 38.487 -0.197 0.000 0.924 185 N HN 1.454 9.834 8.380 -0.000 0.000 0.540 186 S N -0.599 114.929 115.700 -0.286 0.000 2.204 186 S HA 0.538 5.009 4.470 0.001 0.000 0.178 186 S C -0.754 173.672 174.600 -0.290 0.000 1.493 186 S CA -0.504 57.544 58.200 -0.254 0.000 1.266 186 S CB 0.823 64.023 63.200 -0.000 0.000 1.232 186 S HN 0.385 8.695 8.310 -0.000 0.000 0.406 187 P HA -0.148 4.272 4.420 -0.000 0.000 0.219 187 P C 0.727 177.939 177.300 -0.148 0.000 1.146 187 P CA 0.967 63.892 63.100 -0.293 0.000 0.808 187 P CB 0.415 31.891 31.700 -0.374 0.000 0.779 188 E N 0.210 120.320 120.200 -0.151 0.000 2.046 188 E HA -0.128 4.223 4.350 0.001 0.000 0.190 188 E C 2.427 178.942 176.600 -0.142 0.000 0.982 188 E CA 1.534 57.870 56.400 -0.106 0.000 0.800 188 E CB -1.021 28.621 29.700 -0.097 0.000 0.756 188 E HN 0.404 8.764 8.360 -0.000 0.000 0.449 189 E N 1.742 121.796 120.200 -0.243 0.000 2.070 189 E HA -0.168 4.182 4.350 0.001 0.000 0.197 189 E C 2.153 178.566 176.600 -0.312 0.000 1.004 189 E CA 1.829 57.999 56.400 -0.383 0.000 0.805 189 E CB -0.898 28.802 29.700 -0.000 0.000 0.744 189 E HN 0.289 8.649 8.360 -0.000 0.000 0.451 190 A N 0.395 123.070 122.820 -0.241 0.000 1.873 190 A HA -0.058 4.263 4.320 0.001 0.000 0.218 190 A C 2.566 180.203 177.584 0.088 0.000 1.193 190 A CA 1.820 53.798 52.037 -0.099 0.000 0.629 190 A CB -0.510 18.247 19.000 -0.405 0.000 0.826 190 A HN 0.526 8.676 8.150 -0.000 0.000 0.447 191 I N -0.766 119.851 120.570 0.079 0.000 2.142 191 I HA -0.231 3.940 4.170 0.001 0.000 0.240 191 I C 2.900 179.082 176.117 0.108 0.000 1.078 191 I CA 1.561 62.979 61.300 0.196 0.000 1.343 191 I CB -0.275 37.814 38.000 0.149 0.000 1.046 191 I HN 0.450 8.660 8.210 -0.000 0.000 0.405 192 S N 0.976 116.695 115.700 0.032 0.000 2.359 192 S HA -0.245 4.226 4.470 0.001 0.000 0.223 192 S C 2.091 176.714 174.600 0.038 0.000 1.039 192 S CA 1.852 60.062 58.200 0.016 0.000 1.042 192 S CB -0.483 62.701 63.200 -0.027 0.000 0.915 192 S HN 0.339 8.649 8.310 -0.000 0.000 0.439 193 L N 1.809 123.048 121.223 0.027 0.000 2.046 193 L HA 0.109 4.450 4.340 0.001 0.000 0.208 193 L C 2.536 179.473 176.870 0.111 0.000 1.077 193 L CA 2.208 57.082 54.840 0.057 0.000 0.747 193 L CB -1.370 40.709 42.059 0.033 0.000 0.896 193 L HN 0.370 8.600 8.230 -0.000 0.000 0.432 194 A N -0.516 122.396 122.820 0.153 0.000 1.898 194 A HA -0.254 4.067 4.320 0.001 0.000 0.216 194 A C 2.437 180.097 177.584 0.127 0.000 1.181 194 A CA 1.931 54.063 52.037 0.159 0.000 0.620 194 A CB -0.608 18.511 19.000 0.198 0.000 0.819 194 A HN 0.513 8.663 8.150 -0.000 0.000 0.442 195 K N -0.938 119.518 120.400 0.094 0.000 2.026 195 K HA -0.119 4.202 4.320 0.001 0.000 0.208 195 K C 2.057 178.736 176.600 0.132 0.000 1.048 195 K CA 1.971 58.303 56.287 0.075 0.000 0.929 195 K CB -0.497 32.025 32.500 0.037 0.000 0.713 195 K HN 0.366 8.616 8.250 -0.000 0.000 0.439 196 T N 0.301 114.917 114.554 0.103 0.000 2.684 196 T HA -0.146 4.205 4.350 0.001 0.000 0.267 196 T C 1.755 176.523 174.700 0.114 0.000 1.036 196 T CA 1.993 64.150 62.100 0.096 0.000 1.148 196 T CB -0.490 68.420 68.868 0.070 0.000 0.863 196 T HN 0.391 8.631 8.240 -0.000 0.000 0.436 197 T N 1.621 116.250 114.554 0.126 0.000 2.652 197 T HA -0.087 4.264 4.350 0.001 0.000 0.267 197 T C 1.550 176.329 174.700 0.133 0.000 1.039 197 T CA 1.350 63.521 62.100 0.120 0.000 1.153 197 T CB -0.543 68.400 68.868 0.125 0.000 0.863 197 T HN 0.388 8.628 8.240 -0.000 0.000 0.428 198 F N 2.295 122.258 119.950 0.022 0.000 2.134 198 F HA -0.134 4.393 4.527 0.001 0.000 0.299 198 F C 1.936 177.742 175.800 0.010 0.000 1.097 198 F CA 1.383 59.389 58.000 0.010 0.000 1.264 198 F CB -0.372 38.627 39.000 -0.002 0.000 1.001 198 F HN 0.063 8.363 8.300 -0.000 0.000 0.479 199 D N 0.316 120.891 120.400 0.292 0.000 2.117 199 D HA -0.155 4.486 4.640 0.001 0.000 0.198 199 D C 2.146 178.461 176.300 0.025 0.000 0.982 199 D CA 1.559 55.656 54.000 0.162 0.000 0.828 199 D CB -0.392 40.503 40.800 0.158 0.000 0.967 199 D HN 0.504 8.874 8.370 -0.000 0.000 0.464 200 E N 0.567 120.785 120.200 0.030 0.000 2.150 200 E HA -0.062 4.289 4.350 0.001 0.000 0.193 200 E C 2.048 178.634 176.600 -0.025 0.000 0.985 200 E CA 0.728 57.134 56.400 0.010 0.000 0.814 200 E CB 0.045 29.763 29.700 0.030 0.000 0.752 200 E HN 0.171 8.531 8.360 -0.000 0.000 0.466 201 A N 1.387 124.166 122.820 -0.068 0.000 1.855 201 A HA -0.216 4.105 4.320 0.001 0.000 0.215 201 A C 2.166 179.661 177.584 -0.148 0.000 1.191 201 A CA 1.577 53.547 52.037 -0.111 0.000 0.613 201 A CB -0.469 18.431 19.000 -0.166 0.000 0.829 201 A HN 0.203 8.353 8.150 -0.000 0.000 0.442 202 M N 0.621 120.069 119.600 -0.253 0.000 2.082 202 M HA -0.120 4.361 4.480 0.001 0.000 0.258 202 M C 2.033 178.270 176.300 -0.106 0.000 1.069 202 M CA 2.067 57.225 55.300 -0.237 0.000 1.102 202 M CB -0.682 31.754 32.600 -0.273 0.000 1.336 202 M HN 0.360 8.650 8.290 -0.000 0.000 0.404 203 A N -1.339 121.438 122.820 -0.071 0.000 2.121 203 A HA -0.095 4.226 4.320 0.001 0.000 0.218 203 A C 1.521 179.093 177.584 -0.020 0.000 1.154 203 A CA 1.940 53.941 52.037 -0.061 0.000 0.679 203 A CB -0.695 18.283 19.000 -0.038 0.000 0.795 203 A HN 0.611 8.761 8.150 -0.000 0.000 0.458 204 D N -1.432 118.994 120.400 0.044 0.000 2.441 204 D HA 0.152 4.793 4.640 0.001 0.000 0.210 204 D C 1.581 177.989 176.300 0.180 0.000 1.102 204 D CA -0.204 53.892 54.000 0.160 0.000 0.840 204 D CB 0.034 40.877 40.800 0.072 0.000 0.990 204 D HN 0.277 8.647 8.370 -0.000 0.000 0.505 205 L N 0.940 122.215 121.223 0.085 0.000 2.137 205 L HA -0.262 4.079 4.340 0.001 0.000 0.213 205 L C 2.181 179.110 176.870 0.098 0.000 1.085 205 L CA 1.782 56.649 54.840 0.045 0.000 0.760 205 L CB -0.415 41.636 42.059 -0.015 0.000 0.893 205 L HN 0.406 8.636 8.230 -0.000 0.000 0.434 206 H N -1.886 117.165 119.070 -0.032 0.000 2.387 206 H HA -0.113 4.444 4.556 0.001 0.000 0.299 206 H C 1.161 176.479 175.328 -0.018 0.000 1.099 206 H CA 1.018 57.053 56.048 -0.022 0.000 1.315 206 H CB -0.602 29.150 29.762 -0.017 0.000 1.380 206 H HN 0.327 8.607 8.280 -0.000 0.000 0.513 207 T N -0.434 113.864 114.554 -0.428 0.000 3.579 207 T HA 0.570 4.920 4.350 0.001 0.000 0.328 207 T C -0.322 174.296 174.700 -0.136 0.000 1.481 207 T CA 0.034 61.921 62.100 -0.355 0.000 1.144 207 T CB -0.129 68.502 68.868 -0.395 0.000 1.205 207 T HN 0.525 8.765 8.240 -0.000 0.000 0.812 208 L N -0.361 120.809 121.223 -0.088 0.000 2.641 208 L HA 0.962 5.303 4.340 0.001 0.000 0.261 208 L C 0.243 177.090 176.870 -0.039 0.000 0.926 208 L CA -0.788 54.023 54.840 -0.049 0.000 0.917 208 L CB 0.513 42.555 42.059 -0.029 0.000 1.361 208 L HN 0.933 9.163 8.230 -0.000 0.000 0.417 209 S N -0.206 115.474 115.700 -0.034 0.000 2.593 209 S HA 0.422 4.893 4.470 0.001 0.000 0.269 209 S C 1.108 175.698 174.600 -0.017 0.000 1.334 209 S CA 0.552 58.736 58.200 -0.026 0.000 1.015 209 S CB 0.233 63.433 63.200 -0.000 0.000 0.912 209 S HN 1.308 9.618 8.310 -0.000 0.000 0.541 210 E N 0.390 120.582 120.200 -0.013 0.000 2.172 210 E HA -0.261 4.089 4.350 0.001 0.000 0.213 210 E C 0.173 176.768 176.600 -0.008 0.000 1.051 210 E CA 2.078 58.473 56.400 -0.009 0.000 0.860 210 E CB -0.067 29.629 29.700 -0.007 0.000 0.755 210 E HN 0.748 9.108 8.360 -0.000 0.000 0.462 211 D N -0.664 119.731 120.400 -0.009 0.000 2.319 211 D HA 0.051 4.692 4.640 0.001 0.000 0.230 211 D C 0.877 177.172 176.300 -0.008 0.000 1.094 211 D CA 0.148 54.144 54.000 -0.007 0.000 0.856 211 D CB 0.637 41.433 40.800 -0.007 0.000 0.915 211 D HN 0.078 8.448 8.370 -0.000 0.000 0.517 212 S N -0.937 114.758 115.700 -0.009 0.000 2.655 212 S HA -0.010 4.461 4.470 0.001 0.000 0.231 212 S C 2.305 176.900 174.600 -0.008 0.000 1.044 212 S CA 0.210 58.404 58.200 -0.010 0.000 0.910 212 S CB -0.447 62.744 63.200 -0.014 0.000 0.833 212 S HN 0.561 8.871 8.310 -0.000 0.000 0.581 213 Y N 1.632 121.926 120.300 -0.010 0.000 2.439 213 Y HA 0.121 4.671 4.550 0.001 0.000 0.292 213 Y C 2.594 178.489 175.900 -0.009 0.000 1.130 213 Y CA 1.562 59.655 58.100 -0.012 0.000 1.254 213 Y CB -1.685 36.767 38.460 -0.014 0.000 1.000 213 Y HN 0.483 8.763 8.280 -0.000 0.000 0.554 214 K N 0.585 120.983 120.400 -0.004 0.000 2.218 214 K HA -0.232 4.089 4.320 0.001 0.000 0.205 214 K C 1.518 178.120 176.600 0.003 0.000 1.046 214 K CA 1.950 58.237 56.287 0.000 0.000 0.933 214 K CB -1.032 31.470 32.500 0.003 0.000 0.728 214 K HN 0.767 9.017 8.250 -0.000 0.000 0.454 215 D N -0.518 119.885 120.400 0.004 0.000 2.144 215 D HA -0.026 4.615 4.640 0.001 0.000 0.207 215 D C 2.254 178.558 176.300 0.007 0.000 0.970 215 D CA 1.388 55.393 54.000 0.009 0.000 0.853 215 D CB -0.276 40.531 40.800 0.012 0.000 1.007 215 D HN 0.350 8.720 8.370 -0.000 0.000 0.469 216 S N 0.113 115.812 115.700 -0.002 0.000 2.365 216 S HA -0.164 4.306 4.470 0.001 0.000 0.225 216 S C 2.071 176.657 174.600 -0.023 0.000 1.039 216 S CA 1.587 59.780 58.200 -0.012 0.000 1.033 216 S CB -0.406 62.779 63.200 -0.024 0.000 0.887 216 S HN 0.260 8.570 8.310 -0.000 0.000 0.447 217 T N 1.408 115.947 114.554 -0.025 0.000 2.867 217 T HA -0.025 4.326 4.350 0.001 0.000 0.268 217 T C 1.862 176.563 174.700 0.002 0.000 1.057 217 T CA 0.981 63.064 62.100 -0.029 0.000 1.136 217 T CB -0.442 68.412 68.868 -0.024 0.000 0.874 217 T HN 0.234 8.474 8.240 -0.000 0.000 0.466 218 L N 0.498 121.726 121.223 0.009 0.000 2.131 218 L HA 0.149 4.490 4.340 0.001 0.000 0.210 218 L C 2.313 179.199 176.870 0.026 0.000 1.092 218 L CA 1.337 56.188 54.840 0.018 0.000 0.759 218 L CB -0.955 41.114 42.059 0.017 0.000 0.903 218 L HN 0.573 8.803 8.230 -0.000 0.000 0.435 219 I N -1.469 119.116 120.570 0.025 0.000 2.333 219 I HA -0.230 3.941 4.170 0.001 0.000 0.246 219 I C 2.667 178.820 176.117 0.060 0.000 1.106 219 I CA 1.506 62.827 61.300 0.035 0.000 1.411 219 I CB -0.306 37.713 38.000 0.033 0.000 1.082 219 I HN 0.270 8.480 8.210 -0.000 0.000 0.420 220 M N 0.155 119.787 119.600 0.054 0.000 2.089 220 M HA -0.330 4.151 4.480 0.001 0.000 0.257 220 M C 2.349 178.810 176.300 0.269 0.000 1.071 220 M CA 2.088 57.466 55.300 0.130 0.000 1.096 220 M CB -0.537 32.001 32.600 -0.103 0.000 1.330 220 M HN 0.253 8.543 8.290 -0.000 0.000 0.403 221 Q N -0.038 119.852 119.800 0.150 0.000 2.181 221 Q HA -0.138 4.203 4.340 0.001 0.000 0.205 221 Q C 2.012 178.031 176.000 0.032 0.000 0.980 221 Q CA 1.148 57.014 55.803 0.106 0.000 0.862 221 Q CB -0.201 28.569 28.738 0.054 0.000 0.905 221 Q HN 0.572 8.842 8.270 -0.000 0.000 0.429 222 L N -0.079 121.157 121.223 0.021 0.000 2.156 222 L HA -0.135 4.206 4.340 0.001 0.000 0.208 222 L C 2.163 178.987 176.870 -0.078 0.000 1.095 222 L CA 0.602 55.422 54.840 -0.034 0.000 0.770 222 L CB -0.260 41.789 42.059 -0.016 0.000 0.914 222 L HN 0.259 8.489 8.230 -0.000 0.000 0.439 223 L N -0.601 120.622 121.223 0.001 0.000 2.017 223 L HA -0.207 4.134 4.340 0.001 0.000 0.208 223 L C 2.843 179.613 176.870 -0.166 0.000 1.073 223 L CA 1.287 56.113 54.840 -0.024 0.000 0.745 223 L CB -0.464 41.688 42.059 0.156 0.000 0.894 223 L HN 0.202 8.432 8.230 -0.000 0.000 0.432 224 R N -0.067 120.329 120.500 -0.173 0.000 2.075 224 R HA -0.164 4.177 4.340 0.001 0.000 0.232 224 R C 1.922 178.033 176.300 -0.314 0.000 1.126 224 R CA 1.558 57.422 56.100 -0.393 0.000 0.963 224 R CB -0.167 29.840 30.300 -0.488 0.000 0.858 224 R HN 0.342 8.612 8.270 -0.000 0.000 0.435 225 D N 0.448 120.701 120.400 -0.244 0.000 2.137 225 D HA -0.198 4.442 4.640 0.001 0.000 0.189 225 D C 1.576 177.626 176.300 -0.416 0.000 0.998 225 D CA 1.329 55.173 54.000 -0.260 0.000 0.839 225 D CB -0.583 40.098 40.800 -0.199 0.000 0.962 225 D HN 0.162 8.532 8.370 -0.000 0.000 0.446 226 N N 0.347 118.697 118.700 -0.583 0.000 2.094 226 N HA -0.132 4.609 4.740 0.001 0.000 0.191 226 N C 1.885 176.674 175.510 -1.201 0.000 1.023 226 N CA 0.407 52.762 53.050 -1.159 0.000 0.857 226 N CB -0.428 37.172 38.487 -1.478 0.000 1.013 226 N HN 0.167 8.547 8.380 -0.000 0.000 0.426 227 L N 1.206 122.036 121.223 -0.655 0.000 1.970 227 L HA -0.173 4.168 4.340 0.001 0.000 0.212 227 L C 2.198 178.930 176.870 -0.231 0.000 1.071 227 L CA 1.746 56.400 54.840 -0.310 0.000 0.751 227 L CB -1.937 39.978 42.059 -0.239 0.000 0.889 227 L HN 0.236 8.466 8.230 -0.000 0.000 0.432 228 T N 0.654 115.056 114.554 -0.253 0.000 2.597 228 T HA -0.279 4.072 4.350 0.001 0.000 0.267 228 T C 2.240 176.848 174.700 -0.153 0.000 1.053 228 T CA 2.650 64.645 62.100 -0.176 0.000 1.165 228 T CB -1.137 67.627 68.868 -0.173 0.000 0.863 228 T HN 0.383 8.623 8.240 -0.000 0.000 0.427 229 L N 0.148 121.223 121.223 -0.248 0.000 2.079 229 L HA 0.029 4.370 4.340 0.001 0.000 0.210 229 L C 2.411 179.253 176.870 -0.048 0.000 1.081 229 L CA 1.806 56.531 54.840 -0.192 0.000 0.752 229 L CB -1.868 40.011 42.059 -0.301 0.000 0.896 229 L HN 0.581 8.811 8.230 -0.000 0.000 0.433 230 W N -0.297 120.883 121.300 -0.199 0.000 3.292 230 W HA 0.256 4.916 4.660 0.001 0.000 0.263 230 W C 1.802 178.292 176.519 -0.049 0.000 1.318 230 W CA 0.880 58.107 57.345 -0.197 0.000 1.663 230 W CB -0.984 28.273 29.460 -0.338 0.000 1.114 230 W HN 0.423 8.603 8.180 -0.000 0.000 0.706 231 T N -1.317 113.310 114.554 0.121 0.000 2.978 231 T HA 0.346 4.697 4.350 0.001 0.000 0.248 231 T C 1.137 175.869 174.700 0.053 0.000 1.018 231 T CA 0.306 62.452 62.100 0.077 0.000 1.026 231 T CB 0.349 69.234 68.868 0.029 0.000 1.032 231 T HN -0.083 8.157 8.240 -0.000 0.000 0.485 232 A N 0.000 122.844 122.820 0.040 0.000 2.254 232 A HA 0.000 4.321 4.320 0.001 0.000 0.244 232 A CA 0.000 52.056 52.037 0.031 0.000 0.836 232 A CB 0.000 19.001 19.000 0.001 0.000 0.831 232 A HN 0.000 8.150 8.150 -0.000 0.000 0.486