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 2ev4_1_A DATA FIRST_RESID 11 DATA SEQUENCE ANIDDLLGDL GGTARAERAK LVEWLLEQGI TPDEIRATNP PLLLATRHLV DATA SEQUENCE GDDGTYVSAR EISENYGVDL ELLQRVQRAV GLARVDDPDA VVHMRADGEA DATA SEQUENCE AARAQRFVEL GLNPDQVVLV VRVLAEGLSH AAEAMRYTAL EAIMRPGATE DATA SEQUENCE LDIAKGSQAL VSQIVPLLGP MIQDMLFMQL RHMMET 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 11 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 11 A C 0.000 177.587 177.584 0.005 0.000 1.274 11 A CA 0.000 52.041 52.037 0.006 0.000 0.836 11 A CB 0.000 19.003 19.000 0.005 0.000 0.831 12 N N 1.401 120.104 118.700 0.005 0.000 2.149 12 N HA -0.122 4.618 4.740 0.001 0.000 0.188 12 N C 1.412 176.925 175.510 0.006 0.000 1.019 12 N CA 2.304 55.356 53.050 0.004 0.000 0.857 12 N CB -0.514 37.974 38.487 0.002 0.000 0.997 12 N HN 0.615 8.995 8.380 -0.000 0.000 0.426 13 I N 0.173 120.748 120.570 0.009 0.000 2.315 13 I HA -0.271 3.900 4.170 0.001 0.000 0.251 13 I C 1.877 178.002 176.117 0.013 0.000 1.125 13 I CA 1.374 62.682 61.300 0.013 0.000 1.392 13 I CB -0.455 37.556 38.000 0.018 0.000 1.065 13 I HN 0.217 8.427 8.210 -0.000 0.000 0.424 14 D N 1.421 121.827 120.400 0.010 0.000 2.133 14 D HA -0.259 4.381 4.640 0.001 0.000 0.195 14 D C 1.532 177.837 176.300 0.008 0.000 0.997 14 D CA 1.712 55.717 54.000 0.009 0.000 0.840 14 D CB -0.160 40.644 40.800 0.007 0.000 0.947 14 D HN 0.537 8.907 8.370 -0.000 0.000 0.452 15 D N -0.903 119.501 120.400 0.007 0.000 2.378 15 D HA -0.088 4.552 4.640 0.001 0.000 0.227 15 D C 1.425 177.729 176.300 0.007 0.000 1.012 15 D CA 0.381 54.385 54.000 0.005 0.000 0.905 15 D CB -0.422 40.379 40.800 0.003 0.000 0.895 15 D HN 0.349 8.719 8.370 -0.000 0.000 0.532 16 L N -0.561 120.668 121.223 0.010 0.000 2.693 16 L HA 0.273 4.614 4.340 0.001 0.000 0.235 16 L C 1.629 178.509 176.870 0.017 0.000 1.127 16 L CA -0.048 54.800 54.840 0.013 0.000 0.914 16 L CB 0.178 42.246 42.059 0.016 0.000 1.193 16 L HN 0.057 8.287 8.230 -0.000 0.000 0.502 17 L N -0.962 120.270 121.223 0.015 0.000 2.463 17 L HA 0.366 4.706 4.340 0.001 0.000 0.219 17 L C 1.519 178.397 176.870 0.013 0.000 1.088 17 L CA 0.504 55.354 54.840 0.016 0.000 0.849 17 L CB -0.399 41.669 42.059 0.015 0.000 1.012 17 L HN 0.360 8.590 8.230 -0.000 0.000 0.468 18 G N 1.074 109.881 108.800 0.011 0.000 2.509 18 G HA2 -0.288 3.673 3.960 0.001 0.000 0.259 18 G HA3 -0.288 3.673 3.960 0.001 0.000 0.259 18 G C -0.069 174.836 174.900 0.008 0.000 1.169 18 G CA 0.178 45.283 45.100 0.009 0.000 0.953 18 G HN 0.267 8.557 8.290 -0.000 0.000 0.563 19 D N 1.272 121.677 120.400 0.007 0.000 2.336 19 D HA 0.214 4.854 4.640 0.001 0.000 0.228 19 D C 1.245 177.549 176.300 0.007 0.000 1.120 19 D CA 0.129 54.133 54.000 0.006 0.000 0.839 19 D CB 0.045 40.848 40.800 0.006 0.000 0.932 19 D HN 0.383 8.753 8.370 -0.000 0.000 0.509 20 L N 0.472 121.700 121.223 0.008 0.000 2.452 20 L HA 0.403 4.743 4.340 0.001 0.000 0.267 20 L C 1.217 178.091 176.870 0.006 0.000 1.188 20 L CA -0.184 54.661 54.840 0.007 0.000 0.821 20 L CB 0.799 42.864 42.059 0.009 0.000 1.102 20 L HN -0.074 8.156 8.230 -0.000 0.000 0.470 21 G N -0.489 108.314 108.800 0.005 0.000 2.730 21 G HA2 0.599 4.559 3.960 0.001 0.000 0.289 21 G HA3 0.599 4.559 3.960 0.001 0.000 0.289 21 G C -0.050 174.852 174.900 0.004 0.000 1.341 21 G CA -0.122 44.980 45.100 0.004 0.000 0.932 21 G HN 0.957 9.247 8.290 -0.000 0.000 0.481 22 G N -0.395 108.406 108.800 0.003 0.000 2.611 22 G HA2 -0.297 3.663 3.960 0.001 0.000 0.301 22 G HA3 -0.297 3.663 3.960 0.001 0.000 0.301 22 G C 1.384 176.285 174.900 0.001 0.000 1.233 22 G CA 1.324 46.425 45.100 0.002 0.000 0.993 22 G HN 1.316 9.606 8.290 -0.000 0.000 0.553 23 T N 1.522 116.076 114.554 -0.000 0.000 2.684 23 T HA 0.064 4.415 4.350 0.001 0.000 0.267 23 T C 2.845 177.544 174.700 -0.001 0.000 1.036 23 T CA 3.092 65.191 62.100 -0.002 0.000 1.148 23 T CB -0.691 68.175 68.868 -0.004 0.000 0.863 23 T HN 1.422 9.662 8.240 -0.000 0.000 0.436 24 A N 1.207 124.027 122.820 0.000 0.000 2.015 24 A HA -0.054 4.266 4.320 0.001 0.000 0.219 24 A C 2.243 179.830 177.584 0.005 0.000 1.163 24 A CA 1.677 53.715 52.037 0.002 0.000 0.646 24 A CB -0.488 18.514 19.000 0.002 0.000 0.806 24 A HN 0.457 8.607 8.150 -0.000 0.000 0.448 25 R N -0.383 120.120 120.500 0.006 0.000 2.062 25 R HA 0.007 4.347 4.340 0.001 0.000 0.229 25 R C 2.235 178.541 176.300 0.010 0.000 1.128 25 R CA 1.331 57.436 56.100 0.008 0.000 0.960 25 R CB -0.395 29.910 30.300 0.007 0.000 0.855 25 R HN 0.373 8.643 8.270 -0.000 0.000 0.432 26 A N 0.799 123.623 122.820 0.007 0.000 1.969 26 A HA -0.138 4.182 4.320 0.001 0.000 0.218 26 A C 1.858 179.446 177.584 0.008 0.000 1.169 26 A CA 1.422 53.463 52.037 0.008 0.000 0.635 26 A CB -0.322 18.680 19.000 0.004 0.000 0.810 26 A HN 0.509 8.659 8.150 -0.000 0.000 0.445 27 E N -0.983 119.219 120.200 0.004 0.000 2.072 27 E HA -0.164 4.187 4.350 0.001 0.000 0.190 27 E C 2.274 178.880 176.600 0.011 0.000 0.982 27 E CA 0.919 57.320 56.400 0.001 0.000 0.803 27 E CB -0.078 29.617 29.700 -0.007 0.000 0.755 27 E HN 0.441 8.801 8.360 -0.000 0.000 0.453 28 R N 1.282 121.791 120.500 0.015 0.000 2.096 28 R HA -0.100 4.240 4.340 0.001 0.000 0.235 28 R C 1.941 178.262 176.300 0.036 0.000 1.127 28 R CA 1.592 57.708 56.100 0.026 0.000 0.968 28 R CB -0.651 29.663 30.300 0.023 0.000 0.861 28 R HN 0.139 8.409 8.270 -0.000 0.000 0.440 29 A N 0.969 123.807 122.820 0.030 0.000 1.883 29 A HA -0.165 4.155 4.320 0.001 0.000 0.217 29 A C 1.913 179.526 177.584 0.048 0.000 1.186 29 A CA 1.711 53.769 52.037 0.034 0.000 0.624 29 A CB -0.447 18.568 19.000 0.025 0.000 0.822 29 A HN 0.223 8.373 8.150 -0.000 0.000 0.444 30 K N -0.723 119.702 120.400 0.041 0.000 2.097 30 K HA -0.097 4.224 4.320 0.001 0.000 0.205 30 K C 1.935 178.587 176.600 0.088 0.000 1.050 30 K CA 1.261 57.578 56.287 0.051 0.000 0.938 30 K CB -0.737 31.773 32.500 0.017 0.000 0.718 30 K HN 0.472 8.722 8.250 -0.000 0.000 0.442 31 L N 1.065 122.335 121.223 0.077 0.000 1.994 31 L HA -0.138 4.202 4.340 0.001 0.000 0.208 31 L C 2.156 179.144 176.870 0.198 0.000 1.071 31 L CA 1.428 56.345 54.840 0.130 0.000 0.745 31 L CB -0.573 41.537 42.059 0.085 0.000 0.892 31 L HN -0.161 8.069 8.230 -0.000 0.000 0.431 32 V N 0.058 120.047 119.914 0.125 0.000 2.332 32 V HA -0.323 3.797 4.120 0.001 0.000 0.248 32 V C 2.642 178.797 176.094 0.102 0.000 1.055 32 V CA 2.076 64.437 62.300 0.101 0.000 1.038 32 V CB -0.700 31.160 31.823 0.062 0.000 0.651 32 V HN 0.641 8.831 8.190 -0.000 0.000 0.450 33 E N -1.254 119.012 120.200 0.110 0.000 2.085 33 E HA -0.307 4.043 4.350 0.001 0.000 0.194 33 E C 2.035 178.718 176.600 0.138 0.000 0.994 33 E CA 1.987 58.447 56.400 0.101 0.000 0.801 33 E CB -0.217 29.540 29.700 0.096 0.000 0.743 33 E HN 0.728 9.088 8.360 -0.000 0.000 0.453 34 W N 0.981 122.285 121.300 0.005 0.000 2.407 34 W HA -0.071 4.590 4.660 0.001 0.000 0.305 34 W C 1.837 178.360 176.519 0.008 0.000 1.196 34 W CA 1.123 58.472 57.345 0.006 0.000 1.311 34 W CB -0.332 29.133 29.460 0.009 0.000 1.135 34 W HN 0.025 8.205 8.180 -0.000 0.000 0.514 35 L N 0.324 121.587 121.223 0.068 0.000 2.043 35 L HA -0.295 4.045 4.340 0.001 0.000 0.212 35 L C 2.485 179.243 176.870 -0.187 0.000 1.075 35 L CA 1.502 56.267 54.840 -0.125 0.000 0.752 35 L CB -1.089 41.003 42.059 0.055 0.000 0.891 35 L HN 0.077 8.307 8.230 -0.000 0.000 0.432 36 L N -0.636 120.530 121.223 -0.094 0.000 2.083 36 L HA -0.211 4.129 4.340 0.001 0.000 0.209 36 L C 2.491 179.278 176.870 -0.139 0.000 1.083 36 L CA 1.241 56.028 54.840 -0.089 0.000 0.752 36 L CB -0.469 41.568 42.059 -0.036 0.000 0.899 36 L HN 0.276 8.506 8.230 -0.000 0.000 0.433 37 E N -0.456 119.635 120.200 -0.183 0.000 2.153 37 E HA -0.214 4.137 4.350 0.001 0.000 0.194 37 E C 2.058 178.475 176.600 -0.304 0.000 0.988 37 E CA 0.710 56.983 56.400 -0.212 0.000 0.811 37 E CB 0.034 29.614 29.700 -0.201 0.000 0.746 37 E HN 0.441 8.801 8.360 -0.000 0.000 0.466 38 Q N -0.804 118.720 119.800 -0.461 0.000 2.435 38 Q HA 0.013 4.353 4.340 0.001 0.000 0.207 38 Q C 1.346 177.176 176.000 -0.283 0.000 0.956 38 Q CA 1.011 56.542 55.803 -0.453 0.000 0.917 38 Q CB 0.739 29.089 28.738 -0.646 0.000 0.997 38 Q HN 0.435 8.705 8.270 -0.000 0.000 0.497 39 G N 0.217 108.893 108.800 -0.208 0.000 2.148 39 G HA2 -0.178 3.783 3.960 0.001 0.000 0.203 39 G HA3 -0.178 3.783 3.960 0.001 0.000 0.203 39 G C -0.015 174.824 174.900 -0.101 0.000 0.993 39 G CA -0.345 44.674 45.100 -0.136 0.000 0.661 39 G HN 0.202 8.492 8.290 -0.000 0.000 0.518 40 I N 2.975 123.480 120.570 -0.107 0.000 2.471 40 I HA 0.283 4.453 4.170 0.001 0.000 0.286 40 I C 1.476 177.569 176.117 -0.040 0.000 1.079 40 I CA 0.295 61.561 61.300 -0.057 0.000 1.398 40 I CB 0.076 38.047 38.000 -0.048 0.000 1.403 40 I HN 0.346 8.556 8.210 -0.000 0.000 0.530 41 T N 4.385 118.925 114.554 -0.022 0.000 2.882 41 T HA 0.287 4.638 4.350 0.001 0.000 0.287 41 T C -1.739 172.954 174.700 -0.012 0.000 1.014 41 T CA -1.606 60.482 62.100 -0.020 0.000 1.049 41 T CB 1.161 70.018 68.868 -0.018 0.000 1.001 41 T HN 0.308 8.548 8.240 -0.000 0.000 0.525 42 P HA -0.114 4.306 4.420 -0.000 0.000 0.217 42 P C 0.748 178.045 177.300 -0.006 0.000 1.151 42 P CA 1.202 64.299 63.100 -0.006 0.000 0.849 42 P CB -0.057 31.638 31.700 -0.007 0.000 0.787 43 D N -0.545 119.847 120.400 -0.013 0.000 2.097 43 D HA -0.159 4.481 4.640 0.001 0.000 0.195 43 D C 1.903 178.195 176.300 -0.013 0.000 0.989 43 D CA 1.139 55.127 54.000 -0.019 0.000 0.827 43 D CB -0.709 40.072 40.800 -0.031 0.000 0.966 43 D HN 0.322 8.692 8.370 -0.000 0.000 0.456 44 E N 0.034 120.230 120.200 -0.006 0.000 2.085 44 E HA -0.145 4.205 4.350 0.001 0.000 0.194 44 E C 2.220 178.831 176.600 0.017 0.000 0.994 44 E CA 0.620 57.026 56.400 0.010 0.000 0.801 44 E CB -0.101 29.611 29.700 0.021 0.000 0.743 44 E HN 0.343 8.703 8.360 -0.000 0.000 0.453 45 I N 0.638 121.216 120.570 0.014 0.000 2.252 45 I HA -0.244 3.926 4.170 0.001 0.000 0.245 45 I C 2.537 178.665 176.117 0.018 0.000 1.102 45 I CA 1.000 62.313 61.300 0.021 0.000 1.385 45 I CB -0.185 37.828 38.000 0.021 0.000 1.064 45 I HN 0.018 8.228 8.210 -0.000 0.000 0.414 46 R N 0.766 121.272 120.500 0.009 0.000 2.073 46 R HA -0.130 4.210 4.340 0.001 0.000 0.234 46 R C 2.451 178.755 176.300 0.005 0.000 1.134 46 R CA 1.562 57.665 56.100 0.006 0.000 0.952 46 R CB -0.528 29.771 30.300 -0.001 0.000 0.850 46 R HN 0.352 8.622 8.270 -0.000 0.000 0.433 47 A N 0.475 123.296 122.820 0.002 0.000 1.972 47 A HA -0.074 4.246 4.320 0.001 0.000 0.219 47 A C 0.861 178.453 177.584 0.013 0.000 1.169 47 A CA 1.273 53.311 52.037 0.002 0.000 0.635 47 A CB -0.108 18.889 19.000 -0.006 0.000 0.810 47 A HN 0.216 8.366 8.150 -0.000 0.000 0.446 48 T N 1.107 115.674 114.554 0.021 0.000 2.770 48 T HA 0.472 4.822 4.350 0.001 0.000 0.297 48 T C -0.777 173.940 174.700 0.029 0.000 0.997 48 T CA -0.410 61.707 62.100 0.029 0.000 0.949 48 T CB 0.513 69.404 68.868 0.039 0.000 0.941 48 T HN 0.257 8.497 8.240 -0.000 0.000 0.457 49 N N 4.001 122.716 118.700 0.025 0.000 2.500 49 N HA 0.407 5.148 4.740 0.001 0.000 0.291 49 N C -2.494 173.029 175.510 0.023 0.000 1.092 49 N CA -1.444 51.620 53.050 0.024 0.000 0.890 49 N CB 1.340 39.837 38.487 0.018 0.000 1.466 49 N HN 0.330 8.710 8.380 -0.000 0.000 0.507 50 P HA 0.292 4.712 4.420 -0.000 0.000 0.268 50 P C -2.282 175.040 177.300 0.037 0.000 1.205 50 P CA -0.849 62.269 63.100 0.029 0.000 0.771 50 P CB 0.472 32.187 31.700 0.026 0.000 0.858 51 P HA 0.024 4.444 4.420 -0.000 0.000 0.255 51 P C 1.165 178.511 177.300 0.076 0.000 1.301 51 P CA -0.199 62.935 63.100 0.057 0.000 0.817 51 P CB 0.178 31.913 31.700 0.058 0.000 1.259 52 L N 0.327 121.589 121.223 0.065 0.000 2.013 52 L HA -0.110 4.230 4.340 0.001 0.000 0.212 52 L C 1.523 178.449 176.870 0.094 0.000 1.073 52 L CA 2.017 56.899 54.840 0.070 0.000 0.753 52 L CB -0.912 41.171 42.059 0.039 0.000 0.890 52 L HN -0.050 8.180 8.230 -0.000 0.000 0.432 53 L N -0.779 120.492 121.223 0.080 0.000 3.034 53 L HA 0.125 4.465 4.340 0.001 0.000 0.245 53 L C 1.391 178.317 176.870 0.094 0.000 1.295 53 L CA -0.288 54.605 54.840 0.087 0.000 1.068 53 L CB -0.014 42.078 42.059 0.055 0.000 1.426 53 L HN 0.251 8.481 8.230 -0.000 0.000 0.531 54 L N 0.516 121.805 121.223 0.110 0.000 2.156 54 L HA -0.075 4.265 4.340 0.001 0.000 0.208 54 L C 2.547 179.494 176.870 0.128 0.000 1.095 54 L CA 1.144 56.045 54.840 0.102 0.000 0.770 54 L CB -0.046 42.063 42.059 0.084 0.000 0.914 54 L HN 0.497 8.727 8.230 -0.000 0.000 0.439 55 A N -1.752 121.173 122.820 0.175 0.000 2.208 55 A HA -0.036 4.284 4.320 0.001 0.000 0.209 55 A C 2.118 179.855 177.584 0.254 0.000 1.161 55 A CA 1.039 53.208 52.037 0.219 0.000 0.782 55 A CB -0.357 18.764 19.000 0.201 0.000 0.816 55 A HN 0.274 8.424 8.150 -0.000 0.000 0.477 56 T N -0.748 113.888 114.554 0.137 0.000 3.035 56 T HA -0.003 4.348 4.350 0.001 0.000 0.259 56 T C 2.050 176.710 174.700 -0.066 0.000 1.078 56 T CA 0.303 62.407 62.100 0.006 0.000 1.132 56 T CB -0.170 68.713 68.868 0.025 0.000 0.900 56 T HN 0.386 8.626 8.240 -0.000 0.000 0.480 57 R N 1.335 121.851 120.500 0.026 0.000 2.103 57 R HA -0.153 4.187 4.340 0.001 0.000 0.242 57 R C 2.311 178.617 176.300 0.009 0.000 1.142 57 R CA 1.682 57.798 56.100 0.026 0.000 0.960 57 R CB -0.754 29.588 30.300 0.070 0.000 0.858 57 R HN 0.703 8.973 8.270 -0.000 0.000 0.439 58 H N 0.209 119.288 119.070 0.014 0.000 2.456 58 H HA -0.039 4.517 4.556 0.001 0.000 0.296 58 H C 1.914 177.247 175.328 0.009 0.000 1.079 58 H CA 0.953 57.005 56.048 0.006 0.000 1.322 58 H CB -0.480 29.282 29.762 -0.000 0.000 1.388 58 H HN 0.191 8.471 8.280 -0.000 0.000 0.538 59 L N 1.562 122.454 121.223 -0.551 0.000 2.291 59 L HA -0.061 4.279 4.340 0.001 0.000 0.214 59 L C 2.143 178.933 176.870 -0.135 0.000 1.120 59 L CA 0.782 55.414 54.840 -0.347 0.000 0.799 59 L CB 0.029 41.879 42.059 -0.348 0.000 0.925 59 L HN 0.242 8.472 8.230 -0.000 0.000 0.446 60 V N -3.925 115.932 119.914 -0.095 0.000 3.342 60 V HA 0.578 4.698 4.120 0.001 0.000 0.322 60 V C 1.118 177.195 176.094 -0.027 0.000 1.370 60 V CA 0.303 62.575 62.300 -0.046 0.000 1.170 60 V CB -0.137 31.666 31.823 -0.034 0.000 1.101 60 V HN 0.412 8.602 8.190 -0.000 0.000 0.442 61 G N 0.404 109.192 108.800 -0.019 0.000 2.184 61 G HA2 -0.219 3.741 3.960 0.001 0.000 0.206 61 G HA3 -0.219 3.741 3.960 0.001 0.000 0.206 61 G C -0.135 174.762 174.900 -0.004 0.000 0.995 61 G CA 0.068 45.165 45.100 -0.006 0.000 0.651 61 G HN 0.653 8.943 8.290 -0.000 0.000 0.511 62 D N 1.645 122.049 120.400 0.007 0.000 2.380 62 D HA 0.456 5.097 4.640 0.001 0.000 0.230 62 D C 0.965 177.295 176.300 0.050 0.000 1.154 62 D CA -0.095 53.905 54.000 -0.000 0.000 0.859 62 D CB 0.700 41.505 40.800 0.008 0.000 1.045 62 D HN 0.307 8.677 8.370 -0.000 0.000 0.495 63 D N 2.166 122.580 120.400 0.024 0.000 2.325 63 D HA 0.178 4.818 4.640 0.001 0.000 0.225 63 D C 1.536 177.860 176.300 0.040 0.000 1.096 63 D CA 0.111 54.136 54.000 0.041 0.000 0.844 63 D CB -0.084 40.733 40.800 0.028 0.000 0.925 63 D HN 0.506 8.876 8.370 -0.000 0.000 0.513 64 G N 0.456 109.286 108.800 0.051 0.000 2.189 64 G HA2 -0.302 3.659 3.960 0.001 0.000 0.267 64 G HA3 -0.302 3.659 3.960 0.001 0.000 0.267 64 G C 0.520 175.540 174.900 0.200 0.000 0.975 64 G CA 0.782 45.967 45.100 0.142 0.000 0.644 64 G HN 0.811 9.101 8.290 -0.000 0.000 0.537 65 T N -1.604 112.992 114.554 0.069 0.000 2.845 65 T HA 0.684 5.035 4.350 0.001 0.000 0.288 65 T C -0.356 174.344 174.700 0.000 0.000 0.980 65 T CA -0.571 61.591 62.100 0.103 0.000 1.071 65 T CB 1.910 70.810 68.868 0.054 0.000 0.941 65 T HN 0.321 8.561 8.240 -0.000 0.000 0.487 66 Y N 1.008 121.335 120.300 0.046 0.000 2.570 66 Y HA 0.658 5.209 4.550 0.001 0.000 0.345 66 Y C 0.188 176.134 175.900 0.075 0.000 1.014 66 Y CA -0.938 57.198 58.100 0.060 0.000 1.063 66 Y CB 2.359 40.840 38.460 0.035 0.000 1.272 66 Y HN 0.843 9.123 8.280 -0.000 0.000 0.477 67 V N -1.586 118.477 119.914 0.248 0.000 3.181 67 V HA 0.855 4.976 4.120 0.001 0.000 0.308 67 V C -0.478 175.770 176.094 0.258 0.000 1.214 67 V CA -1.181 61.240 62.300 0.201 0.000 1.053 67 V CB 1.387 33.307 31.823 0.163 0.000 1.069 67 V HN 0.767 8.957 8.190 -0.000 0.000 0.441 68 S N 0.489 116.310 115.700 0.202 0.000 2.713 68 S HA 0.777 5.248 4.470 0.001 0.000 0.283 68 S C 1.153 175.847 174.600 0.156 0.000 1.161 68 S CA -0.069 58.271 58.200 0.232 0.000 0.999 68 S CB 1.499 64.782 63.200 0.138 0.000 1.039 68 S HN 1.926 10.236 8.310 -0.000 0.000 0.548 69 A N 0.700 123.589 122.820 0.115 0.000 1.969 69 A HA -0.030 4.291 4.320 0.001 0.000 0.218 69 A C 2.253 179.846 177.584 0.014 0.000 1.169 69 A CA 1.327 53.342 52.037 -0.036 0.000 0.635 69 A CB -0.735 18.244 19.000 -0.035 0.000 0.810 69 A HN 0.898 9.048 8.150 -0.000 0.000 0.445 70 R N -0.239 120.287 120.500 0.042 0.000 2.066 70 R HA -0.135 4.206 4.340 0.001 0.000 0.232 70 R C 2.061 178.380 176.300 0.032 0.000 1.131 70 R CA 1.684 57.805 56.100 0.034 0.000 0.955 70 R CB -0.245 30.075 30.300 0.035 0.000 0.851 70 R HN 0.677 8.947 8.270 -0.000 0.000 0.432 71 E N 0.130 120.356 120.200 0.044 0.000 2.085 71 E HA -0.226 4.125 4.350 0.001 0.000 0.194 71 E C 1.991 178.617 176.600 0.044 0.000 0.994 71 E CA 1.662 58.083 56.400 0.034 0.000 0.801 71 E CB -0.128 29.605 29.700 0.056 0.000 0.743 71 E HN 0.387 8.747 8.360 -0.000 0.000 0.453 72 I N 0.521 121.152 120.570 0.101 0.000 2.142 72 I HA -0.287 3.883 4.170 0.001 0.000 0.240 72 I C 2.689 178.916 176.117 0.183 0.000 1.078 72 I CA 1.110 62.546 61.300 0.226 0.000 1.343 72 I CB -0.354 37.711 38.000 0.109 0.000 1.046 72 I HN 0.082 8.292 8.210 -0.000 0.000 0.405 73 S N 0.318 116.065 115.700 0.079 0.000 2.383 73 S HA -0.224 4.247 4.470 0.001 0.000 0.229 73 S C 1.897 176.520 174.600 0.037 0.000 1.030 73 S CA 1.755 59.989 58.200 0.056 0.000 1.002 73 S CB -0.214 63.002 63.200 0.028 0.000 0.829 73 S HN 0.459 8.769 8.310 -0.000 0.000 0.467 74 E N 0.244 120.450 120.200 0.010 0.000 2.102 74 E HA 0.019 4.370 4.350 0.001 0.000 0.190 74 E C 2.019 178.575 176.600 -0.074 0.000 0.971 74 E CA 0.760 57.147 56.400 -0.022 0.000 0.821 74 E CB -0.090 29.596 29.700 -0.023 0.000 0.777 74 E HN 0.475 8.835 8.360 -0.000 0.000 0.460 75 N N 0.230 118.839 118.700 -0.152 0.000 2.142 75 N HA -0.133 4.608 4.740 0.001 0.000 0.186 75 N C 1.258 176.515 175.510 -0.422 0.000 1.023 75 N CA 1.236 54.075 53.050 -0.352 0.000 0.852 75 N CB -0.179 37.958 38.487 -0.584 0.000 0.998 75 N HN 0.277 8.657 8.380 -0.000 0.000 0.424 76 Y N -1.045 119.249 120.300 -0.009 0.000 2.462 76 Y HA 0.322 4.872 4.550 0.001 0.000 0.261 76 Y C 1.750 177.644 175.900 -0.010 0.000 1.146 76 Y CA 0.202 58.296 58.100 -0.010 0.000 1.283 76 Y CB 0.436 38.889 38.460 -0.012 0.000 1.090 76 Y HN 0.128 8.408 8.280 -0.000 0.000 0.526 77 G N 0.224 109.077 108.800 0.089 0.000 2.194 77 G HA2 -0.285 3.675 3.960 0.001 0.000 0.236 77 G HA3 -0.285 3.675 3.960 0.001 0.000 0.236 77 G C 0.126 175.057 174.900 0.051 0.000 0.987 77 G CA 0.097 45.227 45.100 0.051 0.000 0.635 77 G HN 0.215 8.505 8.290 -0.000 0.000 0.520 78 V N 1.241 121.198 119.914 0.072 0.000 3.051 78 V HA 0.516 4.636 4.120 0.001 0.000 0.306 78 V C 0.084 176.199 176.094 0.034 0.000 1.083 78 V CA -0.157 62.173 62.300 0.050 0.000 1.104 78 V CB 1.071 32.923 31.823 0.049 0.000 1.027 78 V HN 0.267 8.457 8.190 -0.000 0.000 0.483 79 D N 3.709 124.124 120.400 0.026 0.000 2.304 79 D HA 0.185 4.825 4.640 0.001 0.000 0.250 79 D C 0.693 177.002 176.300 0.014 0.000 1.107 79 D CA -0.164 53.847 54.000 0.019 0.000 0.885 79 D CB 1.503 42.313 40.800 0.017 0.000 1.192 79 D HN 0.435 8.805 8.370 -0.000 0.000 0.436 80 L N 2.265 123.495 121.223 0.012 0.000 2.131 80 L HA -0.141 4.200 4.340 0.001 0.000 0.210 80 L C 1.828 178.702 176.870 0.006 0.000 1.092 80 L CA 1.785 56.630 54.840 0.008 0.000 0.759 80 L CB -0.268 41.798 42.059 0.011 0.000 0.903 80 L HN 0.556 8.786 8.230 -0.000 0.000 0.435 81 E N -0.952 119.254 120.200 0.009 0.000 2.047 81 E HA -0.246 4.104 4.350 0.001 0.000 0.191 81 E C 2.187 178.791 176.600 0.007 0.000 0.987 81 E CA 1.228 57.633 56.400 0.009 0.000 0.799 81 E CB -0.176 29.530 29.700 0.010 0.000 0.752 81 E HN 0.411 8.771 8.360 -0.000 0.000 0.449 82 L N 1.025 122.253 121.223 0.008 0.000 2.046 82 L HA -0.158 4.182 4.340 0.001 0.000 0.208 82 L C 2.356 179.226 176.870 0.000 0.000 1.077 82 L CA 1.311 56.156 54.840 0.008 0.000 0.747 82 L CB -0.672 41.397 42.059 0.016 0.000 0.896 82 L HN 0.284 8.514 8.230 -0.000 0.000 0.432 83 L N -0.429 120.791 121.223 -0.005 0.000 2.013 83 L HA -0.292 4.048 4.340 0.001 0.000 0.212 83 L C 2.482 179.333 176.870 -0.031 0.000 1.073 83 L CA 1.969 56.794 54.840 -0.025 0.000 0.753 83 L CB -0.853 41.184 42.059 -0.036 0.000 0.890 83 L HN 0.459 8.689 8.230 -0.000 0.000 0.432 84 Q N -0.807 118.983 119.800 -0.016 0.000 2.061 84 Q HA -0.241 4.099 4.340 0.001 0.000 0.204 84 Q C 2.323 178.326 176.000 0.004 0.000 0.984 84 Q CA 2.031 57.834 55.803 0.000 0.000 0.846 84 Q CB -0.277 28.469 28.738 0.013 0.000 0.902 84 Q HN 0.552 8.822 8.270 -0.000 0.000 0.421 85 R N -0.054 120.446 120.500 0.001 0.000 2.091 85 R HA -0.132 4.208 4.340 0.001 0.000 0.238 85 R C 2.352 178.649 176.300 -0.006 0.000 1.136 85 R CA 1.495 57.595 56.100 -0.000 0.000 0.959 85 R CB -0.464 29.835 30.300 -0.001 0.000 0.856 85 R HN 0.123 8.393 8.270 -0.000 0.000 0.437 86 V N 1.263 121.171 119.914 -0.011 0.000 2.358 86 V HA -0.259 3.862 4.120 0.001 0.000 0.246 86 V C 2.258 178.343 176.094 -0.015 0.000 1.047 86 V CA 1.737 64.026 62.300 -0.018 0.000 1.035 86 V CB -0.509 31.301 31.823 -0.022 0.000 0.658 86 V HN 0.354 8.544 8.190 -0.000 0.000 0.452 87 Q N -0.299 119.495 119.800 -0.010 0.000 2.096 87 Q HA -0.219 4.121 4.340 0.001 0.000 0.204 87 Q C 2.477 178.488 176.000 0.018 0.000 0.982 87 Q CA 1.762 57.571 55.803 0.010 0.000 0.850 87 Q CB -0.227 28.530 28.738 0.031 0.000 0.901 87 Q HN 0.622 8.892 8.270 -0.000 0.000 0.422 88 R N 0.287 120.795 120.500 0.014 0.000 2.070 88 R HA -0.108 4.233 4.340 0.001 0.000 0.233 88 R C 2.358 178.658 176.300 -0.000 0.000 1.137 88 R CA 1.262 57.369 56.100 0.011 0.000 0.945 88 R CB -0.603 29.702 30.300 0.009 0.000 0.845 88 R HN 0.200 8.470 8.270 -0.000 0.000 0.430 89 A N 0.903 123.718 122.820 -0.008 0.000 1.986 89 A HA -0.128 4.193 4.320 0.001 0.000 0.220 89 A C 2.341 179.912 177.584 -0.020 0.000 1.171 89 A CA 1.531 53.558 52.037 -0.017 0.000 0.640 89 A CB -0.437 18.549 19.000 -0.024 0.000 0.811 89 A HN 0.154 8.304 8.150 -0.000 0.000 0.451 90 V N -1.534 118.370 119.914 -0.017 0.000 2.788 90 V HA 0.234 4.355 4.120 0.001 0.000 0.251 90 V C 1.837 177.921 176.094 -0.018 0.000 1.068 90 V CA 1.408 63.696 62.300 -0.021 0.000 1.090 90 V CB -0.430 31.383 31.823 -0.018 0.000 0.710 90 V HN 1.164 9.354 8.190 -0.000 0.000 0.467 91 G N -0.597 108.198 108.800 -0.008 0.000 2.143 91 G HA2 -0.166 3.794 3.960 0.001 0.000 0.175 91 G HA3 -0.166 3.794 3.960 0.001 0.000 0.175 91 G C 0.107 175.011 174.900 0.006 0.000 1.004 91 G CA 0.243 45.339 45.100 -0.007 0.000 0.671 91 G HN 0.355 8.645 8.290 -0.000 0.000 0.512 92 L N 0.211 121.446 121.223 0.021 0.000 2.945 92 L HA 0.756 5.096 4.340 0.001 0.000 0.171 92 L C 1.867 178.764 176.870 0.045 0.000 1.669 92 L CA -0.501 54.363 54.840 0.039 0.000 1.963 92 L CB -0.320 41.778 42.059 0.065 0.000 2.719 92 L HN 0.298 8.528 8.230 -0.000 0.000 0.570 93 A N 0.595 123.455 122.820 0.067 0.000 2.524 93 A HA -0.041 4.279 4.320 0.001 0.000 0.271 93 A C 1.446 179.062 177.584 0.055 0.000 1.097 93 A CA 0.280 52.343 52.037 0.044 0.000 0.791 93 A CB -0.438 18.572 19.000 0.016 0.000 1.028 93 A HN 0.695 8.845 8.150 -0.000 0.000 0.518 94 R N 1.310 121.828 120.500 0.030 0.000 2.191 94 R HA -0.166 4.174 4.340 0.001 0.000 0.248 94 R C 0.249 176.571 176.300 0.037 0.000 1.127 94 R CA 2.377 58.492 56.100 0.027 0.000 0.943 94 R CB -0.194 30.115 30.300 0.015 0.000 0.891 94 R HN 1.046 9.316 8.270 -0.000 0.000 0.439 95 V N 0.715 120.654 119.914 0.042 0.000 2.841 95 V HA 0.109 4.230 4.120 0.001 0.000 0.251 95 V C -1.862 174.262 176.094 0.050 0.000 1.757 95 V CA -0.702 61.630 62.300 0.053 0.000 0.865 95 V CB 1.791 33.636 31.823 0.037 0.000 1.254 95 V HN 0.355 8.545 8.190 -0.000 0.000 0.483 96 D N 3.429 123.875 120.400 0.076 0.000 2.636 96 D HA 0.482 5.122 4.640 0.001 0.000 0.236 96 D C -1.033 175.304 176.300 0.063 0.000 1.176 96 D CA -0.191 53.846 54.000 0.061 0.000 1.081 96 D CB 0.969 41.804 40.800 0.058 0.000 1.213 96 D HN 0.737 9.107 8.370 -0.000 0.000 0.633 97 D N -0.742 119.694 120.400 0.062 0.000 2.278 97 D HA 0.318 4.958 4.640 0.001 0.000 0.245 97 D C -1.956 174.391 176.300 0.079 0.000 1.052 97 D CA -1.965 52.069 54.000 0.055 0.000 0.834 97 D CB 2.102 42.923 40.800 0.036 0.000 1.194 97 D HN -0.216 8.154 8.370 -0.000 0.000 0.481 98 P HA -0.135 4.285 4.420 -0.000 0.000 0.217 98 P C 0.165 177.511 177.300 0.076 0.000 1.151 98 P CA 1.111 64.253 63.100 0.070 0.000 0.849 98 P CB 0.247 31.974 31.700 0.045 0.000 0.787 99 D N -1.709 118.728 120.400 0.061 0.000 2.339 99 D HA 0.145 4.786 4.640 0.001 0.000 0.217 99 D C 0.629 176.965 176.300 0.060 0.000 1.050 99 D CA 0.097 54.130 54.000 0.055 0.000 0.856 99 D CB -0.354 40.468 40.800 0.036 0.000 0.922 99 D HN 0.061 8.431 8.370 -0.000 0.000 0.518 100 A N 0.851 123.710 122.820 0.065 0.000 2.444 100 A HA 0.234 4.554 4.320 0.001 0.000 0.273 100 A C 0.527 178.155 177.584 0.074 0.000 1.136 100 A CA -0.238 51.827 52.037 0.048 0.000 0.799 100 A CB 0.292 19.307 19.000 0.026 0.000 1.081 100 A HN -0.010 8.140 8.150 -0.000 0.000 0.509 101 V N 4.920 124.868 119.914 0.057 0.000 2.071 101 V HA 0.087 4.207 4.120 0.001 0.000 0.254 101 V C 0.975 177.113 176.094 0.074 0.000 1.456 101 V CA 0.709 63.068 62.300 0.098 0.000 1.383 101 V CB -0.330 31.542 31.823 0.081 0.000 1.433 101 V HN 0.911 9.101 8.190 -0.000 0.000 0.499 102 V N -1.455 118.480 119.914 0.034 0.000 3.346 102 V HA 0.401 4.521 4.120 0.001 0.000 0.309 102 V C 0.499 176.622 176.094 0.049 0.000 1.457 102 V CA -0.104 62.167 62.300 -0.050 0.000 1.069 102 V CB -0.435 31.266 31.823 -0.202 0.000 0.944 102 V HN 0.641 8.831 8.190 -0.000 0.000 0.449 103 H N 1.322 120.582 119.070 0.316 0.000 2.476 103 H HA 0.558 5.114 4.556 0.000 0.000 0.328 103 H C -0.107 175.179 175.328 -0.070 0.000 1.073 103 H CA -0.618 55.518 56.048 0.146 0.000 1.229 103 H CB 1.695 31.501 29.762 0.072 0.000 1.432 103 H HN 0.258 8.538 8.280 -0.000 0.000 0.477 104 M N 2.599 122.059 119.600 -0.233 0.000 2.261 104 M HA -0.077 4.403 4.480 0.001 0.000 0.350 104 M C 2.015 178.201 176.300 -0.191 0.000 1.343 104 M CA 0.499 55.493 55.300 -0.509 0.000 1.003 104 M CB 0.956 33.341 32.600 -0.358 0.000 1.848 104 M HN 0.554 8.844 8.290 -0.000 0.000 0.456 105 R N 2.833 123.231 120.500 -0.171 0.000 2.096 105 R HA -0.189 4.151 4.340 0.001 0.000 0.240 105 R C 1.868 178.138 176.300 -0.049 0.000 1.139 105 R CA 2.266 58.352 56.100 -0.024 0.000 0.952 105 R CB -0.328 29.982 30.300 0.016 0.000 0.854 105 R HN 0.906 9.176 8.270 -0.000 0.000 0.436 106 A N 0.944 123.717 122.820 -0.079 0.000 2.019 106 A HA -0.166 4.154 4.320 0.001 0.000 0.219 106 A C 1.544 179.056 177.584 -0.119 0.000 1.164 106 A CA 1.800 53.783 52.037 -0.090 0.000 0.644 106 A CB -0.319 18.644 19.000 -0.063 0.000 0.805 106 A HN 0.365 8.515 8.150 -0.000 0.000 0.449 107 D N -0.315 120.024 120.400 -0.103 0.000 2.149 107 D HA -0.034 4.606 4.640 0.001 0.000 0.201 107 D C 2.109 178.334 176.300 -0.125 0.000 0.972 107 D CA 1.348 55.298 54.000 -0.084 0.000 0.835 107 D CB -0.697 40.084 40.800 -0.032 0.000 0.966 107 D HN 0.409 8.779 8.370 -0.000 0.000 0.476 108 G N 0.745 109.459 108.800 -0.144 0.000 2.418 108 G HA2 -0.291 3.669 3.960 0.001 0.000 0.217 108 G HA3 -0.291 3.669 3.960 0.001 0.000 0.217 108 G C 1.465 176.081 174.900 -0.473 0.000 1.158 108 G CA 0.770 45.743 45.100 -0.211 0.000 0.771 108 G HN 0.313 8.603 8.290 -0.000 0.000 0.545 109 E N 0.483 120.256 120.200 -0.711 0.000 2.058 109 E HA -0.095 4.256 4.350 0.001 0.000 0.194 109 E C 2.810 179.158 176.600 -0.421 0.000 0.997 109 E CA 1.053 56.879 56.400 -0.957 0.000 0.801 109 E CB -0.261 29.057 29.700 -0.638 0.000 0.746 109 E HN 0.322 8.682 8.360 -0.000 0.000 0.450 110 A N 1.243 123.911 122.820 -0.252 0.000 1.883 110 A HA -0.169 4.151 4.320 0.001 0.000 0.217 110 A C 2.402 179.923 177.584 -0.105 0.000 1.186 110 A CA 2.173 54.131 52.037 -0.132 0.000 0.624 110 A CB -0.880 18.066 19.000 -0.090 0.000 0.822 110 A HN 0.430 8.580 8.150 -0.000 0.000 0.444 111 A N -0.554 122.191 122.820 -0.124 0.000 1.968 111 A HA 0.282 4.602 4.320 0.001 0.000 0.217 111 A C 2.366 179.913 177.584 -0.062 0.000 1.169 111 A CA 1.657 53.645 52.037 -0.081 0.000 0.638 111 A CB -0.796 18.153 19.000 -0.085 0.000 0.812 111 A HN 1.090 9.240 8.150 -0.000 0.000 0.446 112 A N -0.044 122.711 122.820 -0.107 0.000 2.121 112 A HA -0.089 4.231 4.320 0.001 0.000 0.218 112 A C 2.070 179.659 177.584 0.009 0.000 1.154 112 A CA 1.101 53.111 52.037 -0.045 0.000 0.679 112 A CB -0.419 18.548 19.000 -0.054 0.000 0.795 112 A HN 0.566 8.716 8.150 -0.000 0.000 0.458 113 R N -0.368 120.141 120.500 0.016 0.000 2.189 113 R HA 0.006 4.347 4.340 0.001 0.000 0.223 113 R C 2.305 178.733 176.300 0.214 0.000 1.092 113 R CA 0.771 56.924 56.100 0.087 0.000 0.989 113 R CB -0.434 29.940 30.300 0.124 0.000 0.876 113 R HN 0.495 8.765 8.270 -0.000 0.000 0.457 114 A N 1.313 124.239 122.820 0.176 0.000 1.958 114 A HA -0.327 3.994 4.320 0.001 0.000 0.221 114 A C 2.139 179.849 177.584 0.210 0.000 1.178 114 A CA 1.845 54.002 52.037 0.201 0.000 0.642 114 A CB -0.453 18.591 19.000 0.075 0.000 0.816 114 A HN 0.257 8.407 8.150 -0.000 0.000 0.453 115 Q N -0.652 119.218 119.800 0.116 0.000 2.079 115 Q HA -0.153 4.187 4.340 0.001 0.000 0.200 115 Q C 2.125 178.158 176.000 0.054 0.000 0.974 115 Q CA 1.564 57.412 55.803 0.076 0.000 0.840 115 Q CB -0.136 28.630 28.738 0.046 0.000 0.898 115 Q HN 0.531 8.801 8.270 -0.000 0.000 0.430 116 R N -0.434 120.066 120.500 0.001 0.000 2.096 116 R HA -0.110 4.231 4.340 0.001 0.000 0.235 116 R C 2.154 178.351 176.300 -0.172 0.000 1.127 116 R CA 1.246 57.270 56.100 -0.126 0.000 0.968 116 R CB -1.051 29.097 30.300 -0.254 0.000 0.861 116 R HN 0.372 8.642 8.270 -0.000 0.000 0.440 117 F N 0.249 120.200 119.950 0.001 0.000 2.134 117 F HA -0.160 4.367 4.527 -0.000 0.000 0.299 117 F C 2.533 178.333 175.800 -0.000 0.000 1.097 117 F CA 0.947 58.947 58.000 -0.001 0.000 1.264 117 F CB -0.639 38.357 39.000 -0.006 0.000 1.001 117 F HN -0.250 8.050 8.300 -0.000 0.000 0.479 118 V N 0.003 120.027 119.914 0.183 0.000 2.343 118 V HA -0.275 3.845 4.120 0.001 0.000 0.247 118 V C 2.075 178.204 176.094 0.057 0.000 1.051 118 V CA 1.970 64.329 62.300 0.100 0.000 1.036 118 V CB -0.615 31.253 31.823 0.076 0.000 0.654 118 V HN 0.322 8.512 8.190 -0.000 0.000 0.451 119 E N 0.055 120.276 120.200 0.034 0.000 2.160 119 E HA -0.199 4.151 4.350 0.001 0.000 0.195 119 E C 1.983 178.587 176.600 0.006 0.000 0.991 119 E CA 1.083 57.489 56.400 0.010 0.000 0.810 119 E CB -0.214 29.480 29.700 -0.011 0.000 0.742 119 E HN 0.535 8.895 8.360 -0.000 0.000 0.466 120 L N -0.571 120.657 121.223 0.008 0.000 2.622 120 L HA 0.051 4.391 4.340 0.001 0.000 0.233 120 L C 1.289 178.177 176.870 0.031 0.000 1.156 120 L CA 0.493 55.340 54.840 0.013 0.000 0.866 120 L CB -0.071 41.995 42.059 0.012 0.000 0.980 120 L HN 0.293 8.523 8.230 -0.000 0.000 0.448 121 G N 0.172 108.994 108.800 0.037 0.000 2.131 121 G HA2 -0.207 3.753 3.960 0.001 0.000 0.201 121 G HA3 -0.207 3.753 3.960 0.001 0.000 0.201 121 G C -0.070 174.855 174.900 0.043 0.000 1.000 121 G CA -0.559 44.562 45.100 0.034 0.000 0.680 121 G HN 0.160 8.450 8.290 -0.000 0.000 0.514 122 L N 0.349 121.609 121.223 0.063 0.000 2.312 122 L HA 0.396 4.737 4.340 0.001 0.000 0.281 122 L C 0.814 177.710 176.870 0.044 0.000 1.070 122 L CA -1.092 53.785 54.840 0.061 0.000 0.805 122 L CB 1.127 43.244 42.059 0.097 0.000 1.174 122 L HN 0.185 8.415 8.230 -0.000 0.000 0.434 123 N N 3.857 122.573 118.700 0.026 0.000 2.414 123 N HA 0.009 4.749 4.740 0.001 0.000 0.268 123 N C -1.776 173.742 175.510 0.013 0.000 1.286 123 N CA -0.863 52.196 53.050 0.016 0.000 0.896 123 N CB 0.894 39.385 38.487 0.007 0.000 1.093 123 N HN 0.268 8.648 8.380 -0.000 0.000 0.480 124 P HA -0.161 4.259 4.420 -0.000 0.000 0.216 124 P C 0.383 177.683 177.300 0.000 0.000 1.150 124 P CA 1.175 64.284 63.100 0.014 0.000 0.843 124 P CB 0.241 31.950 31.700 0.015 0.000 0.787 125 D N -1.031 119.368 120.400 -0.002 0.000 2.117 125 D HA -0.148 4.492 4.640 0.001 0.000 0.197 125 D C 2.109 178.398 176.300 -0.018 0.000 0.987 125 D CA 1.059 55.054 54.000 -0.008 0.000 0.829 125 D CB -0.494 40.303 40.800 -0.006 0.000 0.961 125 D HN 0.245 8.615 8.370 -0.000 0.000 0.460 126 Q N 0.439 120.228 119.800 -0.019 0.000 2.079 126 Q HA -0.061 4.279 4.340 0.001 0.000 0.200 126 Q C 2.555 178.523 176.000 -0.053 0.000 0.974 126 Q CA 0.523 56.307 55.803 -0.031 0.000 0.840 126 Q CB -0.337 28.387 28.738 -0.024 0.000 0.898 126 Q HN 0.209 8.479 8.270 -0.000 0.000 0.430 127 V N 0.675 120.560 119.914 -0.049 0.000 2.287 127 V HA -0.224 3.897 4.120 0.001 0.000 0.248 127 V C 2.482 178.524 176.094 -0.087 0.000 1.053 127 V CA 1.491 63.742 62.300 -0.082 0.000 1.027 127 V CB -0.576 31.228 31.823 -0.031 0.000 0.646 127 V HN 0.109 8.299 8.190 -0.000 0.000 0.447 128 V N -0.511 119.373 119.914 -0.050 0.000 2.343 128 V HA -0.233 3.888 4.120 0.001 0.000 0.247 128 V C 2.358 178.422 176.094 -0.050 0.000 1.051 128 V CA 1.918 64.191 62.300 -0.044 0.000 1.036 128 V CB -0.566 31.243 31.823 -0.024 0.000 0.654 128 V HN 0.499 8.689 8.190 -0.000 0.000 0.451 129 L N 0.024 121.219 121.223 -0.046 0.000 2.013 129 L HA -0.169 4.171 4.340 0.001 0.000 0.212 129 L C 2.381 179.215 176.870 -0.061 0.000 1.073 129 L CA 1.962 56.775 54.840 -0.045 0.000 0.753 129 L CB -0.535 41.502 42.059 -0.038 0.000 0.890 129 L HN 0.138 8.368 8.230 -0.000 0.000 0.432 130 V N -1.403 118.459 119.914 -0.086 0.000 2.287 130 V HA -0.303 3.817 4.120 0.001 0.000 0.248 130 V C 2.501 178.530 176.094 -0.109 0.000 1.053 130 V CA 1.673 63.907 62.300 -0.111 0.000 1.027 130 V CB -0.546 31.176 31.823 -0.168 0.000 0.646 130 V HN 0.344 8.534 8.190 -0.000 0.000 0.447 131 V N -0.139 119.707 119.914 -0.113 0.000 2.282 131 V HA -0.348 3.772 4.120 0.001 0.000 0.249 131 V C 2.596 178.652 176.094 -0.063 0.000 1.057 131 V CA 2.638 64.883 62.300 -0.091 0.000 1.032 131 V CB -0.765 31.011 31.823 -0.078 0.000 0.645 131 V HN 0.500 8.690 8.190 -0.000 0.000 0.447 132 R N -0.469 120.000 120.500 -0.052 0.000 2.083 132 R HA -0.165 4.175 4.340 0.001 0.000 0.237 132 R C 2.170 178.450 176.300 -0.033 0.000 1.137 132 R CA 2.046 58.124 56.100 -0.037 0.000 0.951 132 R CB -0.322 29.960 30.300 -0.030 0.000 0.851 132 R HN 0.421 8.691 8.270 -0.000 0.000 0.434 133 V N 0.970 120.862 119.914 -0.038 0.000 2.379 133 V HA -0.199 3.921 4.120 0.001 0.000 0.245 133 V C 2.362 178.439 176.094 -0.028 0.000 1.044 133 V CA 1.419 63.702 62.300 -0.028 0.000 1.036 133 V CB -0.349 31.454 31.823 -0.033 0.000 0.664 133 V HN 0.338 8.528 8.190 -0.000 0.000 0.453 134 L N 0.111 121.306 121.223 -0.047 0.000 2.012 134 L HA -0.210 4.130 4.340 0.001 0.000 0.210 134 L C 2.732 179.581 176.870 -0.035 0.000 1.073 134 L CA 1.806 56.617 54.840 -0.048 0.000 0.748 134 L CB -0.697 41.319 42.059 -0.072 0.000 0.891 134 L HN 0.381 8.611 8.230 -0.000 0.000 0.431 135 A N -0.397 122.398 122.820 -0.040 0.000 1.902 135 A HA -0.240 4.081 4.320 0.001 0.000 0.217 135 A C 2.093 179.648 177.584 -0.048 0.000 1.181 135 A CA 1.735 53.746 52.037 -0.042 0.000 0.623 135 A CB -0.478 18.496 19.000 -0.043 0.000 0.818 135 A HN 0.468 8.618 8.150 -0.000 0.000 0.443 136 E N -0.745 119.435 120.200 -0.033 0.000 2.049 136 E HA -0.174 4.176 4.350 0.001 0.000 0.198 136 E C 2.187 178.808 176.600 0.036 0.000 1.007 136 E CA 1.021 57.408 56.400 -0.021 0.000 0.809 136 E CB -0.470 29.248 29.700 0.031 0.000 0.749 136 E HN 0.605 8.965 8.360 -0.000 0.000 0.450 137 G N 1.083 109.926 108.800 0.071 0.000 2.440 137 G HA2 -0.239 3.721 3.960 0.001 0.000 0.218 137 G HA3 -0.239 3.721 3.960 0.001 0.000 0.218 137 G C 1.551 176.498 174.900 0.077 0.000 1.154 137 G CA 0.587 45.754 45.100 0.111 0.000 0.767 137 G HN 0.092 8.382 8.290 -0.000 0.000 0.552 138 L N 1.540 122.770 121.223 0.012 0.000 2.291 138 L HA -0.029 4.311 4.340 0.001 0.000 0.214 138 L C 3.236 180.088 176.870 -0.030 0.000 1.120 138 L CA 1.104 55.942 54.840 -0.004 0.000 0.799 138 L CB -0.268 41.781 42.059 -0.017 0.000 0.925 138 L HN 0.404 8.634 8.230 -0.000 0.000 0.446 139 S N -1.496 114.144 115.700 -0.099 0.000 2.355 139 S HA -0.185 4.285 4.470 0.001 0.000 0.222 139 S C 1.925 176.428 174.600 -0.161 0.000 1.031 139 S CA 0.687 58.790 58.200 -0.162 0.000 0.993 139 S CB -0.608 62.441 63.200 -0.253 0.000 0.859 139 S HN 0.405 8.715 8.310 -0.000 0.000 0.453 140 H N 2.586 121.649 119.070 -0.012 0.000 2.289 140 H HA -0.029 4.527 4.556 -0.000 0.000 0.296 140 H C 2.748 178.068 175.328 -0.014 0.000 1.091 140 H CA 1.673 57.712 56.048 -0.016 0.000 1.274 140 H CB -1.157 28.592 29.762 -0.021 0.000 1.364 140 H HN 0.588 8.868 8.280 -0.000 0.000 0.490 141 A N 1.377 124.262 122.820 0.109 0.000 1.917 141 A HA -0.163 4.157 4.320 0.001 0.000 0.219 141 A C 2.760 180.366 177.584 0.037 0.000 1.182 141 A CA 2.231 54.301 52.037 0.056 0.000 0.633 141 A CB -0.955 18.068 19.000 0.038 0.000 0.819 141 A HN 0.483 8.633 8.150 -0.000 0.000 0.448 142 A N -0.478 122.354 122.820 0.021 0.000 1.902 142 A HA -0.171 4.150 4.320 0.001 0.000 0.217 142 A C 1.905 179.506 177.584 0.028 0.000 1.181 142 A CA 1.612 53.658 52.037 0.015 0.000 0.623 142 A CB -0.564 18.434 19.000 -0.004 0.000 0.818 142 A HN 0.646 8.796 8.150 -0.000 0.000 0.443 143 E N -0.315 119.901 120.200 0.027 0.000 2.048 143 E HA -0.246 4.105 4.350 0.001 0.000 0.202 143 E C 2.337 178.977 176.600 0.066 0.000 1.021 143 E CA 1.363 57.788 56.400 0.042 0.000 0.825 143 E CB -0.344 29.380 29.700 0.040 0.000 0.756 143 E HN 0.612 8.972 8.360 -0.000 0.000 0.454 144 A N 0.730 123.582 122.820 0.052 0.000 1.972 144 A HA -0.163 4.157 4.320 0.001 0.000 0.219 144 A C 2.126 179.770 177.584 0.098 0.000 1.169 144 A CA 1.327 53.395 52.037 0.053 0.000 0.635 144 A CB -0.440 18.569 19.000 0.016 0.000 0.810 144 A HN 0.167 8.317 8.150 -0.000 0.000 0.446 145 M N -1.388 118.255 119.600 0.071 0.000 2.159 145 M HA -0.134 4.347 4.480 0.001 0.000 0.263 145 M C 2.362 178.707 176.300 0.075 0.000 1.063 145 M CA 1.782 57.120 55.300 0.064 0.000 1.110 145 M CB -0.243 32.381 32.600 0.040 0.000 1.374 145 M HN 0.501 8.791 8.290 -0.000 0.000 0.411 146 R N -0.384 120.165 120.500 0.083 0.000 2.062 146 R HA -0.191 4.149 4.340 0.001 0.000 0.231 146 R C 2.263 178.622 176.300 0.098 0.000 1.136 146 R CA 1.656 57.801 56.100 0.075 0.000 0.948 146 R CB -0.508 29.833 30.300 0.069 0.000 0.845 146 R HN 0.348 8.618 8.270 -0.000 0.000 0.430 147 Y N 1.382 121.687 120.300 0.007 0.000 2.151 147 Y HA -0.264 4.287 4.550 0.001 0.000 0.284 147 Y C 2.178 178.080 175.900 0.004 0.000 1.166 147 Y CA 2.452 60.556 58.100 0.006 0.000 1.163 147 Y CB -0.317 38.148 38.460 0.008 0.000 0.974 147 Y HN 0.110 8.390 8.280 -0.000 0.000 0.511 148 T N 0.361 115.038 114.554 0.206 0.000 2.708 148 T HA -0.230 4.120 4.350 0.001 0.000 0.266 148 T C 2.074 176.779 174.700 0.008 0.000 1.037 148 T CA 1.527 63.693 62.100 0.109 0.000 1.146 148 T CB -0.777 68.153 68.868 0.103 0.000 0.865 148 T HN 0.509 8.749 8.240 -0.000 0.000 0.435 149 A N 1.152 123.977 122.820 0.009 0.000 1.873 149 A HA 0.065 4.385 4.320 0.001 0.000 0.215 149 A C 2.342 179.898 177.584 -0.045 0.000 1.186 149 A CA 1.075 53.105 52.037 -0.012 0.000 0.616 149 A CB -0.913 18.087 19.000 0.001 0.000 0.823 149 A HN 0.446 8.596 8.150 -0.000 0.000 0.442 150 L N -0.539 120.643 121.223 -0.067 0.000 2.013 150 L HA -0.263 4.077 4.340 0.001 0.000 0.212 150 L C 2.744 179.522 176.870 -0.154 0.000 1.073 150 L CA 2.022 56.798 54.840 -0.107 0.000 0.753 150 L CB -0.542 41.440 42.059 -0.129 0.000 0.890 150 L HN 0.591 8.821 8.230 -0.000 0.000 0.432 151 E N 0.235 120.297 120.200 -0.229 0.000 2.118 151 E HA -0.260 4.090 4.350 0.001 0.000 0.195 151 E C 2.103 178.635 176.600 -0.114 0.000 0.992 151 E CA 1.309 57.575 56.400 -0.222 0.000 0.804 151 E CB 0.065 29.606 29.700 -0.265 0.000 0.741 151 E HN 0.504 8.864 8.360 -0.000 0.000 0.458 152 A N 1.216 123.989 122.820 -0.079 0.000 1.968 152 A HA -0.081 4.239 4.320 0.001 0.000 0.217 152 A C 2.156 179.712 177.584 -0.047 0.000 1.169 152 A CA 1.179 53.187 52.037 -0.048 0.000 0.638 152 A CB -0.530 18.452 19.000 -0.030 0.000 0.812 152 A HN 0.493 8.643 8.150 -0.000 0.000 0.446 153 I N -4.481 116.057 120.570 -0.054 0.000 3.035 153 I HA 0.166 4.336 4.170 0.001 0.000 0.271 153 I C 0.336 176.420 176.117 -0.056 0.000 1.190 153 I CA -0.047 61.223 61.300 -0.050 0.000 1.472 153 I CB -0.257 37.715 38.000 -0.046 0.000 1.116 153 I HN -0.022 8.188 8.210 -0.000 0.000 0.443 154 M N 3.594 123.154 119.600 -0.067 0.000 2.251 154 M HA 0.282 4.762 4.480 0.001 0.000 0.346 154 M C -0.514 175.753 176.300 -0.055 0.000 1.499 154 M CA 1.055 56.316 55.300 -0.065 0.000 1.128 154 M CB 0.009 32.560 32.600 -0.081 0.000 1.809 154 M HN 0.320 8.610 8.290 -0.000 0.000 0.464 155 R N 3.371 123.843 120.500 -0.047 0.000 2.574 155 R HA 0.530 4.871 4.340 0.001 0.000 0.288 155 R C -2.590 173.689 176.300 -0.035 0.000 1.004 155 R CA -1.823 54.254 56.100 -0.039 0.000 0.895 155 R CB 1.155 31.433 30.300 -0.036 0.000 1.191 155 R HN 0.358 8.628 8.270 -0.000 0.000 0.444 156 P HA -0.040 4.380 4.420 -0.000 0.000 0.266 156 P C 0.709 177.994 177.300 -0.026 0.000 1.186 156 P CA 1.036 64.121 63.100 -0.026 0.000 0.767 156 P CB 0.500 32.187 31.700 -0.021 0.000 0.820 157 G N 0.986 109.771 108.800 -0.025 0.000 2.148 157 G HA2 -0.156 3.804 3.960 0.001 0.000 0.254 157 G HA3 -0.156 3.804 3.960 0.001 0.000 0.254 157 G C 0.358 175.239 174.900 -0.032 0.000 0.981 157 G CA -0.020 45.064 45.100 -0.026 0.000 0.670 157 G HN 0.868 9.158 8.290 -0.000 0.000 0.528 158 A N 1.095 123.893 122.820 -0.036 0.000 2.302 158 A HA 0.712 5.033 4.320 0.001 0.000 0.295 158 A C 0.972 178.529 177.584 -0.046 0.000 1.235 158 A CA 0.893 52.903 52.037 -0.046 0.000 0.876 158 A CB 0.142 19.112 19.000 -0.049 0.000 1.133 158 A HN 1.665 9.815 8.150 -0.000 0.000 0.533 159 T N 0.116 114.638 114.554 -0.053 0.000 2.813 159 T HA 0.181 4.531 4.350 0.001 0.000 0.297 159 T C 0.930 175.593 174.700 -0.062 0.000 1.036 159 T CA 0.295 62.363 62.100 -0.052 0.000 1.044 159 T CB 0.816 69.650 68.868 -0.057 0.000 0.993 159 T HN 0.695 8.935 8.240 -0.000 0.000 0.535 160 E N -0.340 119.830 120.200 -0.049 0.000 2.085 160 E HA -0.141 4.209 4.350 0.001 0.000 0.194 160 E C 1.861 178.412 176.600 -0.082 0.000 0.994 160 E CA 0.918 57.291 56.400 -0.045 0.000 0.801 160 E CB -0.164 29.526 29.700 -0.018 0.000 0.743 160 E HN 0.622 8.982 8.360 -0.000 0.000 0.453 161 L N 1.294 122.449 121.223 -0.112 0.000 2.046 161 L HA -0.178 4.162 4.340 0.001 0.000 0.208 161 L C 1.513 178.200 176.870 -0.304 0.000 1.077 161 L CA 1.897 56.600 54.840 -0.227 0.000 0.747 161 L CB -0.383 41.551 42.059 -0.207 0.000 0.896 161 L HN 0.062 8.292 8.230 -0.000 0.000 0.432 162 D N -0.221 120.060 120.400 -0.199 0.000 2.117 162 D HA -0.192 4.448 4.640 0.001 0.000 0.197 162 D C 2.307 178.512 176.300 -0.158 0.000 0.987 162 D CA 1.934 55.830 54.000 -0.174 0.000 0.829 162 D CB -0.125 40.608 40.800 -0.112 0.000 0.961 162 D HN 0.444 8.814 8.370 -0.000 0.000 0.460 163 I N 1.172 121.667 120.570 -0.125 0.000 2.226 163 I HA -0.246 3.924 4.170 0.001 0.000 0.245 163 I C 2.518 178.574 176.117 -0.101 0.000 1.100 163 I CA 1.005 62.249 61.300 -0.093 0.000 1.374 163 I CB -0.217 37.745 38.000 -0.063 0.000 1.057 163 I HN -0.085 8.125 8.210 -0.000 0.000 0.413 164 A N 0.970 123.704 122.820 -0.143 0.000 1.883 164 A HA -0.237 4.083 4.320 0.001 0.000 0.217 164 A C 2.334 179.804 177.584 -0.191 0.000 1.186 164 A CA 1.794 53.755 52.037 -0.128 0.000 0.624 164 A CB -0.481 18.418 19.000 -0.168 0.000 0.822 164 A HN 0.330 8.480 8.150 -0.000 0.000 0.444 165 K N -0.947 119.209 120.400 -0.407 0.000 2.097 165 K HA -0.057 4.263 4.320 0.001 0.000 0.205 165 K C 2.109 178.647 176.600 -0.104 0.000 1.050 165 K CA 0.963 57.065 56.287 -0.308 0.000 0.938 165 K CB -0.386 31.870 32.500 -0.406 0.000 0.718 165 K HN 0.471 8.721 8.250 -0.000 0.000 0.442 166 G N 1.186 109.923 108.800 -0.105 0.000 2.408 166 G HA2 -0.265 3.695 3.960 0.001 0.000 0.217 166 G HA3 -0.265 3.695 3.960 0.001 0.000 0.217 166 G C 1.596 176.480 174.900 -0.026 0.000 1.150 166 G CA 1.125 46.191 45.100 -0.057 0.000 0.776 166 G HN 0.410 8.700 8.290 -0.000 0.000 0.542 167 S N -0.161 115.527 115.700 -0.020 0.000 2.387 167 S HA -0.091 4.380 4.470 0.001 0.000 0.226 167 S C 2.164 176.781 174.600 0.028 0.000 1.026 167 S CA 1.419 59.621 58.200 0.003 0.000 0.972 167 S CB -0.356 62.850 63.200 0.010 0.000 0.814 167 S HN 0.470 8.780 8.310 -0.000 0.000 0.477 168 Q N 1.062 120.901 119.800 0.065 0.000 2.030 168 Q HA -0.080 4.260 4.340 0.001 0.000 0.204 168 Q C 2.648 178.685 176.000 0.062 0.000 0.986 168 Q CA 1.678 57.542 55.803 0.101 0.000 0.843 168 Q CB -0.602 28.265 28.738 0.215 0.000 0.904 168 Q HN 0.780 9.050 8.270 -0.000 0.000 0.420 169 A N 0.554 123.403 122.820 0.047 0.000 1.908 169 A HA -0.198 4.122 4.320 0.001 0.000 0.218 169 A C 1.967 179.561 177.584 0.017 0.000 1.181 169 A CA 1.395 53.452 52.037 0.032 0.000 0.627 169 A CB -0.598 18.412 19.000 0.017 0.000 0.818 169 A HN 0.373 8.523 8.150 -0.000 0.000 0.445 170 L N -0.452 120.775 121.223 0.008 0.000 2.068 170 L HA 0.005 4.345 4.340 0.001 0.000 0.204 170 L C 2.309 179.180 176.870 0.001 0.000 1.076 170 L CA 1.716 56.557 54.840 0.001 0.000 0.753 170 L CB -0.453 41.603 42.059 -0.006 0.000 0.910 170 L HN 0.114 8.344 8.230 -0.000 0.000 0.439 171 V N -0.909 119.005 119.914 -0.001 0.000 2.626 171 V HA -0.209 3.911 4.120 0.001 0.000 0.252 171 V C 2.756 178.840 176.094 -0.017 0.000 1.067 171 V CA 1.564 63.858 62.300 -0.010 0.000 1.081 171 V CB -0.574 31.239 31.823 -0.017 0.000 0.686 171 V HN 0.616 8.806 8.190 -0.000 0.000 0.468 172 S N -0.408 115.286 115.700 -0.009 0.000 2.382 172 S HA -0.266 4.204 4.470 0.001 0.000 0.228 172 S C 2.000 176.601 174.600 0.001 0.000 1.027 172 S CA 1.838 60.035 58.200 -0.006 0.000 0.991 172 S CB -0.137 63.074 63.200 0.018 0.000 0.823 172 S HN 0.733 9.043 8.310 -0.000 0.000 0.469 173 Q N -0.230 119.573 119.800 0.005 0.000 2.245 173 Q HA 0.149 4.489 4.340 0.001 0.000 0.201 173 Q C 2.052 178.054 176.000 0.003 0.000 0.955 173 Q CA 1.118 56.925 55.803 0.006 0.000 0.870 173 Q CB -0.081 28.660 28.738 0.007 0.000 0.945 173 Q HN 0.582 8.852 8.270 -0.000 0.000 0.461 174 I N -0.339 120.232 120.570 0.001 0.000 2.406 174 I HA -0.195 3.975 4.170 0.001 0.000 0.249 174 I C 2.088 178.206 176.117 0.000 0.000 1.122 174 I CA 0.449 61.750 61.300 0.002 0.000 1.431 174 I CB -0.099 37.901 38.000 0.001 0.000 1.087 174 I HN 0.003 8.213 8.210 -0.000 0.000 0.424 175 V N 2.368 122.279 119.914 -0.005 0.000 2.282 175 V HA -0.203 3.918 4.120 0.001 0.000 0.249 175 V C -0.191 175.903 176.094 0.000 0.000 1.057 175 V CA 2.316 64.612 62.300 -0.007 0.000 1.032 175 V CB -2.011 29.801 31.823 -0.019 0.000 0.645 175 V HN 0.367 8.557 8.190 -0.000 0.000 0.447 176 P HA -0.111 4.309 4.420 -0.000 0.000 0.222 176 P C 1.703 179.009 177.300 0.009 0.000 1.147 176 P CA 1.346 64.450 63.100 0.007 0.000 0.790 176 P CB -0.035 31.669 31.700 0.008 0.000 0.780 177 L N -1.529 119.699 121.223 0.009 0.000 2.270 177 L HA 0.004 4.344 4.340 0.001 0.000 0.210 177 L C 2.675 179.553 176.870 0.014 0.000 1.104 177 L CA 0.552 55.398 54.840 0.011 0.000 0.804 177 L CB -0.680 41.385 42.059 0.010 0.000 0.937 177 L HN -0.101 8.129 8.230 -0.000 0.000 0.450 178 L N -0.375 120.855 121.223 0.012 0.000 2.072 178 L HA -0.070 4.270 4.340 0.001 0.000 0.205 178 L C 2.627 179.509 176.870 0.020 0.000 1.079 178 L CA 1.298 56.147 54.840 0.015 0.000 0.752 178 L CB -0.880 41.184 42.059 0.010 0.000 0.906 178 L HN 0.295 8.525 8.230 -0.000 0.000 0.436 179 G N 0.564 109.376 108.800 0.020 0.000 2.453 179 G HA2 -0.188 3.773 3.960 0.001 0.000 0.215 179 G HA3 -0.188 3.773 3.960 0.001 0.000 0.215 179 G C -0.725 174.198 174.900 0.039 0.000 1.201 179 G CA 0.631 45.747 45.100 0.027 0.000 0.784 179 G HN 0.297 8.587 8.290 -0.000 0.000 0.545 180 P HA -0.148 4.272 4.420 -0.000 0.000 0.217 180 P C 2.055 179.382 177.300 0.044 0.000 1.148 180 P CA 1.053 64.175 63.100 0.036 0.000 0.828 180 P CB -0.102 31.611 31.700 0.021 0.000 0.783 181 M N -0.873 118.749 119.600 0.036 0.000 2.067 181 M HA -0.156 4.324 4.480 0.001 0.000 0.260 181 M C 1.968 178.296 176.300 0.046 0.000 1.069 181 M CA 2.002 57.324 55.300 0.036 0.000 1.117 181 M CB -1.164 31.451 32.600 0.026 0.000 1.334 181 M HN -0.106 8.184 8.290 -0.000 0.000 0.407 182 I N 0.743 121.339 120.570 0.045 0.000 2.315 182 I HA -0.271 3.900 4.170 0.001 0.000 0.248 182 I C 2.510 178.670 176.117 0.072 0.000 1.117 182 I CA 1.516 62.843 61.300 0.044 0.000 1.404 182 I CB -0.534 37.484 38.000 0.030 0.000 1.071 182 I HN 0.519 8.729 8.210 -0.000 0.000 0.419 183 Q N 0.138 120.002 119.800 0.106 0.000 2.050 183 Q HA -0.264 4.076 4.340 0.001 0.000 0.202 183 Q C 1.750 177.926 176.000 0.294 0.000 0.980 183 Q CA 2.227 58.151 55.803 0.201 0.000 0.840 183 Q CB -0.101 28.753 28.738 0.194 0.000 0.898 183 Q HN 0.461 8.731 8.270 -0.000 0.000 0.424 184 D N -0.282 120.227 120.400 0.181 0.000 2.117 184 D HA -0.160 4.480 4.640 0.001 0.000 0.197 184 D C 1.790 178.178 176.300 0.148 0.000 0.987 184 D CA 1.147 55.244 54.000 0.161 0.000 0.829 184 D CB -0.039 40.809 40.800 0.080 0.000 0.961 184 D HN 0.317 8.687 8.370 -0.000 0.000 0.460 185 M N -0.233 119.423 119.600 0.095 0.000 2.296 185 M HA -0.044 4.437 4.480 0.001 0.000 0.265 185 M C 2.063 178.386 176.300 0.038 0.000 1.064 185 M CA 0.522 55.855 55.300 0.055 0.000 1.109 185 M CB -0.496 32.122 32.600 0.030 0.000 1.396 185 M HN 0.100 8.390 8.290 -0.000 0.000 0.430 186 L N -0.047 121.196 121.223 0.032 0.000 2.027 186 L HA -0.068 4.272 4.340 0.001 0.000 0.206 186 L C 2.016 178.825 176.870 -0.102 0.000 1.074 186 L CA 1.865 56.661 54.840 -0.074 0.000 0.745 186 L CB -0.826 41.134 42.059 -0.166 0.000 0.898 186 L HN 0.049 8.279 8.230 -0.000 0.000 0.433 187 F N -0.985 118.977 119.950 0.019 0.000 2.234 187 F HA -0.189 4.338 4.527 -0.000 0.000 0.299 187 F C 2.515 178.332 175.800 0.028 0.000 1.087 187 F CA 1.626 59.641 58.000 0.025 0.000 1.340 187 F CB -0.425 38.590 39.000 0.024 0.000 1.031 187 F HN 0.124 8.424 8.300 -0.000 0.000 0.500 188 M N -0.275 119.432 119.600 0.179 0.000 2.149 188 M HA -0.254 4.226 4.480 0.001 0.000 0.261 188 M C 2.182 178.534 176.300 0.086 0.000 1.064 188 M CA 1.650 57.017 55.300 0.112 0.000 1.102 188 M CB -0.082 32.561 32.600 0.072 0.000 1.369 188 M HN 0.032 8.322 8.290 -0.000 0.000 0.408 189 Q N -0.035 119.793 119.800 0.046 0.000 2.137 189 Q HA -0.043 4.297 4.340 0.001 0.000 0.198 189 Q C 2.107 178.146 176.000 0.065 0.000 0.960 189 Q CA 1.300 57.127 55.803 0.039 0.000 0.847 189 Q CB -0.348 28.384 28.738 -0.010 0.000 0.915 189 Q HN 0.564 8.834 8.270 -0.000 0.000 0.448 190 L N 0.124 121.361 121.223 0.023 0.000 2.056 190 L HA -0.145 4.195 4.340 0.001 0.000 0.207 190 L C 2.598 179.510 176.870 0.069 0.000 1.078 190 L CA 1.099 55.949 54.840 0.017 0.000 0.749 190 L CB -0.370 41.661 42.059 -0.047 0.000 0.901 190 L HN 0.128 8.358 8.230 -0.000 0.000 0.433 191 R N -0.916 119.649 120.500 0.108 0.000 2.081 191 R HA -0.213 4.128 4.340 0.001 0.000 0.235 191 R C 2.312 178.669 176.300 0.095 0.000 1.131 191 R CA 1.725 57.888 56.100 0.104 0.000 0.960 191 R CB -0.550 29.819 30.300 0.115 0.000 0.856 191 R HN 0.419 8.689 8.270 -0.000 0.000 0.436 192 H N 0.736 119.820 119.070 0.024 0.000 2.357 192 H HA -0.044 4.513 4.556 0.001 0.000 0.301 192 H C 2.144 177.477 175.328 0.008 0.000 1.082 192 H CA 1.908 57.965 56.048 0.014 0.000 1.342 192 H CB -0.007 29.761 29.762 0.010 0.000 1.389 192 H HN 0.062 8.342 8.280 -0.000 0.000 0.511 193 M N -0.554 119.079 119.600 0.055 0.000 2.175 193 M HA -0.147 4.333 4.480 0.001 0.000 0.264 193 M C 1.813 178.085 176.300 -0.046 0.000 1.063 193 M CA 1.699 56.996 55.300 -0.006 0.000 1.119 193 M CB -0.041 32.585 32.600 0.044 0.000 1.377 193 M HN 0.437 8.727 8.290 -0.000 0.000 0.415 194 M N 0.403 119.993 119.600 -0.018 0.000 2.099 194 M HA -0.211 4.269 4.480 0.001 0.000 0.262 194 M C 2.049 178.326 176.300 -0.038 0.000 1.067 194 M CA 2.374 57.665 55.300 -0.015 0.000 1.124 194 M CB -0.434 32.173 32.600 0.013 0.000 1.353 194 M HN 0.442 8.732 8.290 -0.000 0.000 0.410 195 E N -0.842 119.324 120.200 -0.057 0.000 2.072 195 E HA -0.037 4.313 4.350 0.001 0.000 0.190 195 E C 0.628 177.162 176.600 -0.110 0.000 0.982 195 E CA 0.996 57.355 56.400 -0.068 0.000 0.803 195 E CB -0.410 29.258 29.700 -0.054 0.000 0.755 195 E HN 0.230 8.590 8.360 -0.000 0.000 0.453 196 T N 0.000 114.435 114.554 -0.198 0.000 3.816 196 T HA 0.000 4.350 4.350 0.001 0.000 0.228 196 T CA 0.000 61.978 62.100 -0.203 0.000 1.349 196 T CB 0.000 68.667 68.868 -0.334 0.000 0.612 196 T HN 0.000 8.240 8.240 -0.000 0.000 0.658