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 1spi_1_C DATA FIRST_RESID 11 DATA SEQUENCE KARTRSKYEI ETLTGWLLKQ PMAGVIDAEL TIVLSSISLA CKQIASLVQR DATA SEQUENCE AXXXXXXXXX XXXXXXXXXX XKLDVVSNEV FSSCLRSSGR TGIIASEEED DATA SEQUENCE VPVAVEESYS GNYIVVFDPL DGSSNIDAAV STGSIFGIYS PNDECIVDSD DATA SEQUENCE HDDESQLSAE EQRCVVNVCQ PGDNLLAAGY CMYSSSVIFV LTIGKGVYAF DATA SEQUENCE TLDPMYGEFV LTSEKIQIPK AGKIYSFNEG NYKMWPDKLK KYMDDLKEPG DATA SEQUENCE ESQKPYSSRY IGSLVGDFHR TLLYGGIYGY PRDAKSKNGK LRLLYECAPM DATA SEQUENCE SFIVEQAGGK GSDGHQRILD IQPTEIHQRV PLYIGSVEEV EKLEKYLA 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 K HA 0.000 nan 4.320 nan 0.000 0.191 11 K C 0.000 176.607 176.600 0.011 0.000 0.988 11 K CA 0.000 56.293 56.287 0.010 0.000 0.838 11 K CB 0.000 32.505 32.500 0.009 0.000 1.064 12 A N 3.003 125.830 122.820 0.012 0.000 2.624 12 A HA 0.030 4.350 4.320 -0.000 0.000 0.287 12 A C 1.414 179.008 177.584 0.017 0.000 1.087 12 A CA -0.254 51.791 52.037 0.014 0.000 0.964 12 A CB 0.025 19.033 19.000 0.013 0.000 1.231 12 A HN 0.491 8.648 8.150 0.012 0.000 0.551 13 R N 0.537 121.047 120.500 0.017 0.000 2.109 13 R HA -0.149 4.202 4.340 0.018 0.000 0.227 13 R C 1.149 177.463 176.300 0.024 0.000 1.132 13 R CA 1.261 57.373 56.100 0.021 0.000 0.907 13 R CB -1.059 29.252 30.300 0.018 0.000 0.825 13 R HN 0.324 8.594 8.270 -0.000 0.000 0.432 14 T N -0.218 114.348 114.554 0.021 0.000 7.103 14 T HA -0.434 3.916 4.350 -0.000 0.000 0.229 14 T C 1.303 176.019 174.700 0.027 0.000 1.666 14 T CA 2.693 64.806 62.100 0.022 0.000 1.411 14 T CB -1.124 67.757 68.868 0.021 0.000 1.637 14 T HN -0.112 8.139 8.240 0.018 0.000 0.518 15 R N 1.838 122.356 120.500 0.031 0.000 2.148 15 R HA -0.060 4.280 4.340 -0.000 0.000 0.223 15 R C 1.997 178.327 176.300 0.050 0.000 1.088 15 R CA 1.326 57.450 56.100 0.040 0.000 0.985 15 R CB -0.764 29.560 30.300 0.041 0.000 0.880 15 R HN 0.413 8.700 8.270 0.029 0.000 0.451 16 S N -2.016 113.712 115.700 0.045 0.000 3.054 16 S HA -0.025 4.445 4.470 -0.000 0.000 0.243 16 S C -0.682 173.954 174.600 0.061 0.000 1.013 16 S CA 0.804 59.036 58.200 0.053 0.000 1.119 16 S CB -1.333 61.890 63.200 0.039 0.000 0.838 16 S HN 0.260 8.505 8.310 0.037 0.087 0.505 17 K N -4.404 116.033 120.400 0.061 0.000 2.668 17 K HA 0.041 4.361 4.320 -0.000 0.000 0.142 17 K C -0.808 175.808 176.600 0.028 0.000 1.271 17 K CA 0.318 56.636 56.287 0.051 0.000 1.123 17 K CB -1.538 30.982 32.500 0.032 0.000 1.100 17 K HN -0.387 7.743 8.250 0.057 0.154 0.438 18 Y N -1.537 118.785 120.300 0.037 0.000 2.174 18 Y HA -0.174 4.376 4.550 -0.000 0.000 0.273 18 Y C 0.858 176.747 175.900 -0.018 0.000 1.087 18 Y CA 2.011 60.121 58.100 0.017 0.000 1.078 18 Y CB 0.484 38.965 38.460 0.035 0.000 1.010 18 Y HN 0.237 8.467 8.280 0.061 0.086 0.478 19 E N -3.956 116.240 120.200 -0.007 0.000 1.416 19 E HA -0.110 4.240 4.350 -0.000 0.000 0.227 19 E C -0.992 175.627 176.600 0.033 0.000 1.060 19 E CA -0.344 56.014 56.400 -0.071 0.000 1.299 19 E CB 0.129 29.787 29.700 -0.070 0.000 4.485 19 E HN 0.062 8.451 8.360 0.049 0.000 0.757 20 I N -1.400 119.207 120.570 0.061 0.000 7.932 20 I HA -0.267 3.903 4.170 -0.000 0.000 0.126 20 I C -1.199 174.973 176.117 0.091 0.000 1.847 20 I CA -0.216 61.140 61.300 0.092 0.000 2.038 20 I CB -0.061 38.018 38.000 0.132 0.000 3.738 20 I HN -0.260 7.976 8.210 0.044 0.000 0.169 21 E N 5.061 125.318 120.200 0.094 0.000 2.918 21 E HA -0.132 4.218 4.350 -0.000 0.000 0.232 21 E C 0.668 177.343 176.600 0.125 0.000 1.073 21 E CA 0.343 56.811 56.400 0.113 0.000 0.949 21 E CB 0.235 30.029 29.700 0.157 0.000 0.937 21 E HN 0.182 8.597 8.360 0.092 0.000 0.536 22 T N 0.563 115.175 114.554 0.096 0.000 2.754 22 T HA 0.322 4.672 4.350 -0.000 0.000 0.286 22 T C 1.007 175.734 174.700 0.045 0.000 0.997 22 T CA -0.912 61.237 62.100 0.082 0.000 0.982 22 T CB 1.321 70.220 68.868 0.051 0.000 1.027 22 T HN -0.142 8.141 8.240 0.072 0.000 0.529 23 L N 0.558 121.735 121.223 -0.077 0.000 2.017 23 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 23 L C 1.343 178.120 176.870 -0.155 0.000 1.073 23 L CA 3.928 58.569 54.840 -0.332 0.000 0.745 23 L CB -0.374 41.271 42.059 -0.691 0.000 0.894 23 L HN 0.384 8.602 8.230 -0.021 0.000 0.432 24 T N -0.357 114.131 114.554 -0.111 0.000 2.881 24 T HA -0.322 4.028 4.350 -0.000 0.000 0.270 24 T C 2.153 176.832 174.700 -0.035 0.000 1.068 24 T CA 4.976 67.027 62.100 -0.082 0.000 1.131 24 T CB -1.048 67.781 68.868 -0.064 0.000 0.871 24 T HN 0.308 8.493 8.240 -0.090 0.000 0.479 25 G N 1.533 110.339 108.800 0.009 0.000 2.505 25 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.214 25 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.214 25 G C 0.291 175.227 174.900 0.061 0.000 1.237 25 G CA 1.236 46.358 45.100 0.037 0.000 0.802 25 G HN -0.658 7.531 8.290 0.008 0.106 0.549 26 W N 2.915 124.174 121.300 -0.068 0.000 2.290 26 W HA -0.404 4.256 4.660 -0.000 0.000 0.318 26 W C 1.499 177.966 176.519 -0.087 0.000 1.248 26 W CA 2.582 59.894 57.345 -0.056 0.000 1.263 26 W CB 0.108 29.555 29.460 -0.023 0.000 1.147 26 W HN -0.148 8.201 8.180 0.282 0.000 0.494 27 L N -2.206 118.996 121.223 -0.036 0.000 2.083 27 L HA -0.332 4.008 4.340 -0.000 0.000 0.209 27 L C 1.619 178.387 176.870 -0.171 0.000 1.083 27 L CA 2.917 57.674 54.840 -0.139 0.000 0.752 27 L CB -0.269 41.739 42.059 -0.085 0.000 0.899 27 L HN -0.022 8.151 8.230 0.106 0.121 0.433 28 L N -2.601 118.546 121.223 -0.127 0.000 2.072 28 L HA -0.383 3.957 4.340 -0.000 0.000 0.205 28 L C 1.803 178.593 176.870 -0.134 0.000 1.079 28 L CA 2.664 57.440 54.840 -0.107 0.000 0.752 28 L CB -0.154 41.862 42.059 -0.072 0.000 0.906 28 L HN -0.508 7.579 8.230 -0.092 0.087 0.436 29 K N -1.066 119.234 120.400 -0.167 0.000 2.103 29 K HA -0.440 3.880 4.320 -0.000 0.000 0.207 29 K C 2.437 178.899 176.600 -0.229 0.000 1.048 29 K CA 3.320 59.497 56.287 -0.182 0.000 0.930 29 K CB -0.309 32.069 32.500 -0.204 0.000 0.716 29 K HN -0.722 7.434 8.250 -0.156 0.000 0.444 30 Q N -1.910 117.695 119.800 -0.325 0.000 1.985 30 Q HA -0.175 4.165 4.340 -0.000 0.000 0.207 30 Q C 0.803 176.709 176.000 -0.157 0.000 0.996 30 Q CA 3.827 59.456 55.803 -0.290 0.000 0.851 30 Q CB -2.484 26.061 28.738 -0.322 0.000 0.921 30 Q HN -0.585 7.439 8.270 -0.393 0.009 0.418 31 P HA -0.153 4.267 4.420 -0.000 0.000 0.222 31 P C -0.065 177.196 177.300 -0.065 0.000 1.142 31 P CA 2.201 65.260 63.100 -0.069 0.000 0.788 31 P CB -0.595 31.072 31.700 -0.055 0.000 0.767 32 M N -4.751 114.798 119.600 -0.084 0.000 2.159 32 M HA -0.179 4.301 4.480 -0.000 0.000 0.263 32 M C -0.251 176.013 176.300 -0.059 0.000 1.063 32 M CA 1.864 57.124 55.300 -0.067 0.000 1.110 32 M CB 0.302 32.858 32.600 -0.074 0.000 1.374 32 M HN -0.935 7.110 8.290 -0.111 0.179 0.411 33 A N -1.014 121.761 122.820 -0.074 0.000 2.910 33 A HA 0.129 4.449 4.320 -0.000 0.000 0.316 33 A C -0.739 176.821 177.584 -0.039 0.000 1.493 33 A CA -0.261 51.742 52.037 -0.057 0.000 1.150 33 A CB -1.585 17.372 19.000 -0.073 0.000 1.159 33 A HN 0.021 7.999 8.150 -0.102 0.110 0.526 34 G N 1.146 109.932 108.800 -0.024 0.000 2.123 34 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.100 34 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.100 34 G C -1.521 173.376 174.900 -0.005 0.000 1.023 34 G CA 0.947 46.041 45.100 -0.009 0.000 1.101 34 G HN -0.276 7.999 8.290 -0.026 0.000 0.331 35 V N -0.196 119.716 119.914 -0.004 0.000 6.069 35 V HA -0.080 4.040 4.120 -0.000 0.000 1.011 35 V C -1.419 174.677 176.094 0.003 0.000 2.789 35 V CA 0.182 62.480 62.300 -0.002 0.000 5.219 35 V CB -0.006 31.817 31.823 0.001 0.000 0.227 35 V HN 0.159 8.345 8.190 -0.007 0.000 0.696 36 I N 3.289 123.863 120.570 0.007 0.000 2.587 36 I HA -0.030 4.140 4.170 -0.000 0.000 0.284 36 I C 0.890 177.013 176.117 0.011 0.000 1.134 36 I CA 1.086 62.398 61.300 0.020 0.000 1.410 36 I CB 0.111 38.131 38.000 0.033 0.000 1.392 36 I HN -0.336 7.875 8.210 0.002 0.000 0.545 37 D N 7.940 128.348 120.400 0.012 0.000 2.355 37 D HA -0.181 4.459 4.640 -0.000 0.000 0.253 37 D C -0.452 175.854 176.300 0.009 0.000 1.187 37 D CA 0.360 54.362 54.000 0.005 0.000 0.900 37 D CB -0.669 40.131 40.800 0.000 0.000 0.915 37 D HN 0.589 8.968 8.370 0.015 0.000 0.516 38 A N -3.052 119.778 122.820 0.016 0.000 2.945 38 A HA -0.402 3.918 4.320 -0.000 0.000 0.251 38 A C 0.260 177.866 177.584 0.036 0.000 1.355 38 A CA 1.170 53.215 52.037 0.014 0.000 0.905 38 A CB -1.367 17.628 19.000 -0.008 0.000 1.104 38 A HN 0.257 8.282 8.150 0.018 0.136 0.733 39 E N -1.538 118.710 120.200 0.079 0.000 2.008 39 E HA -0.368 3.982 4.350 -0.000 0.000 0.191 39 E C 1.407 178.104 176.600 0.161 0.000 0.986 39 E CA 2.411 58.885 56.400 0.123 0.000 0.807 39 E CB -0.062 29.733 29.700 0.157 0.000 0.766 39 E HN -0.241 8.169 8.360 0.084 0.000 0.450 40 L N -1.453 119.915 121.223 0.241 0.000 1.997 40 L HA -0.347 3.993 4.340 -0.000 0.000 0.216 40 L C 1.785 178.656 176.870 0.002 0.000 1.074 40 L CA 3.579 58.452 54.840 0.056 0.000 0.763 40 L CB -0.552 41.508 42.059 0.003 0.000 0.890 40 L HN 0.236 8.675 8.230 0.348 0.000 0.434 41 T N -0.334 114.226 114.554 0.010 0.000 2.897 41 T HA -0.356 3.994 4.350 -0.000 0.000 0.271 41 T C 2.481 177.157 174.700 -0.040 0.000 1.084 41 T CA 3.863 65.946 62.100 -0.027 0.000 1.123 41 T CB -0.676 68.174 68.868 -0.031 0.000 0.865 41 T HN 0.098 8.361 8.240 0.039 0.000 0.496 42 I N 1.041 121.598 120.570 -0.021 0.000 2.235 42 I HA -0.303 3.867 4.170 -0.000 0.000 0.241 42 I C 1.339 177.420 176.117 -0.061 0.000 1.085 42 I CA 3.675 64.953 61.300 -0.037 0.000 1.378 42 I CB 0.278 38.268 38.000 -0.017 0.000 1.076 42 I HN -0.270 7.701 8.210 0.007 0.243 0.415 43 V N -1.297 118.586 119.914 -0.051 0.000 2.343 43 V HA -0.434 3.686 4.120 -0.000 0.000 0.247 43 V C 1.595 177.617 176.094 -0.120 0.000 1.051 43 V CA 3.735 65.987 62.300 -0.080 0.000 1.036 43 V CB -1.262 30.530 31.823 -0.053 0.000 0.654 43 V HN -0.402 7.777 8.190 -0.018 0.000 0.451 44 L N -1.218 119.935 121.223 -0.115 0.000 2.043 44 L HA -0.501 3.839 4.340 -0.000 0.000 0.212 44 L C 2.281 179.031 176.870 -0.200 0.000 1.075 44 L CA 3.790 58.539 54.840 -0.152 0.000 0.752 44 L CB -1.064 40.949 42.059 -0.078 0.000 0.891 44 L HN 0.441 8.622 8.230 -0.083 0.000 0.432 45 S N -1.058 114.542 115.700 -0.167 0.000 2.387 45 S HA -0.306 4.164 4.470 -0.000 0.000 0.226 45 S C 2.439 176.955 174.600 -0.140 0.000 1.026 45 S CA 3.335 61.434 58.200 -0.169 0.000 0.972 45 S CB -0.508 62.617 63.200 -0.125 0.000 0.814 45 S HN -0.445 7.790 8.310 -0.131 -0.004 0.477 46 S N 3.752 119.374 115.700 -0.129 0.000 2.382 46 S HA -0.324 4.146 4.470 -0.000 0.000 0.228 46 S C 1.938 176.466 174.600 -0.121 0.000 1.027 46 S CA 3.494 61.617 58.200 -0.128 0.000 0.991 46 S CB -0.167 62.946 63.200 -0.145 0.000 0.823 46 S HN -0.275 7.878 8.310 -0.124 0.083 0.469 47 I N 1.964 122.452 120.570 -0.136 0.000 2.110 47 I HA -0.487 3.683 4.170 -0.000 0.000 0.236 47 I C 1.192 177.279 176.117 -0.050 0.000 1.068 47 I CA 4.021 65.246 61.300 -0.124 0.000 1.333 47 I CB -0.186 37.630 38.000 -0.308 0.000 1.054 47 I HN 0.344 8.232 8.210 -0.161 0.226 0.402 48 S N -0.199 115.417 115.700 -0.140 0.000 2.409 48 S HA -0.415 4.055 4.470 -0.000 0.000 0.237 48 S C 2.408 177.039 174.600 0.052 0.000 1.060 48 S CA 3.372 61.474 58.200 -0.164 0.000 1.052 48 S CB 0.024 62.932 63.200 -0.486 0.000 0.871 48 S HN 0.119 8.179 8.310 -0.234 0.110 0.465 49 L N 0.497 121.724 121.223 0.006 0.000 2.044 49 L HA -0.207 4.133 4.340 -0.000 0.000 0.205 49 L C 0.793 177.694 176.870 0.052 0.000 1.075 49 L CA 2.827 57.682 54.840 0.026 0.000 0.747 49 L CB -0.521 41.522 42.059 -0.026 0.000 0.903 49 L HN -0.485 7.688 8.230 -0.054 0.025 0.435 50 A N -0.661 122.184 122.820 0.041 0.000 1.948 50 A HA -0.404 3.916 4.320 -0.000 0.000 0.220 50 A C 2.258 179.935 177.584 0.156 0.000 1.177 50 A CA 3.156 55.233 52.037 0.066 0.000 0.636 50 A CB -1.392 17.625 19.000 0.029 0.000 0.815 50 A HN 0.102 8.176 8.150 0.009 0.081 0.449 51 C N -2.662 116.786 119.300 0.246 0.000 2.476 51 C HA -0.332 4.128 4.460 -0.000 0.000 0.278 51 C C 2.080 177.198 174.990 0.214 0.000 1.274 51 C CA 4.093 63.332 59.018 0.370 0.000 1.713 51 C CB -1.603 26.495 27.740 0.596 0.000 2.039 51 C HN -0.332 8.024 8.230 0.223 0.007 0.484 52 K N -0.535 119.980 120.400 0.192 0.000 2.074 52 K HA -0.469 3.851 4.320 -0.000 0.000 0.209 52 K C 2.618 179.208 176.600 -0.017 0.000 1.048 52 K CA 3.795 60.121 56.287 0.065 0.000 0.926 52 K CB -0.618 31.898 32.500 0.027 0.000 0.713 52 K HN -0.518 7.806 8.250 0.233 0.065 0.444 53 Q N -1.058 118.740 119.800 -0.005 0.000 2.033 53 Q HA -0.173 4.167 4.340 -0.000 0.000 0.196 53 Q C 2.456 178.414 176.000 -0.070 0.000 0.970 53 Q CA 2.626 58.410 55.803 -0.032 0.000 0.828 53 Q CB -0.071 28.659 28.738 -0.013 0.000 0.895 53 Q HN -0.431 7.857 8.270 0.029 0.000 0.440 54 I N -0.471 120.066 120.570 -0.055 0.000 2.399 54 I HA -0.532 3.638 4.170 -0.000 0.000 0.254 54 I C 1.781 177.662 176.117 -0.393 0.000 1.146 54 I CA 3.273 64.502 61.300 -0.118 0.000 1.412 54 I CB -0.385 37.619 38.000 0.007 0.000 1.076 54 I HN -0.242 7.973 8.210 0.008 0.000 0.432 55 A N -0.217 122.311 122.820 -0.487 0.000 1.832 55 A HA -0.203 4.117 4.320 -0.000 0.000 0.214 55 A C 2.341 179.757 177.584 -0.280 0.000 1.204 55 A CA 3.154 54.798 52.037 -0.654 0.000 0.606 55 A CB -0.696 18.112 19.000 -0.320 0.000 0.849 55 A HN 0.537 8.293 8.150 -0.267 0.234 0.445 56 S N -0.265 115.340 115.700 -0.158 0.000 2.440 56 S HA -0.299 4.171 4.470 -0.000 0.000 0.238 56 S C 1.772 176.324 174.600 -0.079 0.000 1.010 56 S CA 3.504 61.648 58.200 -0.093 0.000 0.972 56 S CB -0.124 63.034 63.200 -0.070 0.000 0.774 56 S HN -0.085 8.138 8.310 -0.145 0.000 0.501 57 L N -0.281 120.886 121.223 -0.094 0.000 2.179 57 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 57 L C 1.517 178.353 176.870 -0.057 0.000 1.096 57 L CA 2.360 57.162 54.840 -0.063 0.000 0.779 57 L CB -0.120 41.905 42.059 -0.056 0.000 0.922 57 L HN 0.148 8.271 8.230 -0.122 0.033 0.443 58 V N -0.071 119.791 119.914 -0.087 0.000 2.490 58 V HA -0.417 3.703 4.120 -0.000 0.000 0.250 58 V C 1.312 177.394 176.094 -0.020 0.000 1.061 58 V CA 3.007 65.279 62.300 -0.047 0.000 1.064 58 V CB -0.612 31.180 31.823 -0.052 0.000 0.670 58 V HN -0.376 7.609 8.190 -0.147 0.116 0.461 59 Q N -3.577 116.207 119.800 -0.027 0.000 2.541 59 Q HA -0.118 4.222 4.340 -0.000 0.000 0.215 59 Q C -0.084 175.910 176.000 -0.010 0.000 0.977 59 Q CA 0.456 56.252 55.803 -0.012 0.000 0.934 59 Q CB -0.267 28.462 28.738 -0.015 0.000 0.988 59 Q HN -0.258 7.973 8.270 -0.047 0.010 0.521 60 R N -4.849 115.643 120.500 -0.012 0.000 3.246 60 R HA -0.342 3.998 4.340 -0.000 0.000 0.260 60 R C -0.655 175.639 176.300 -0.010 0.000 1.034 60 R CA 0.186 56.281 56.100 -0.008 0.000 0.691 60 R CB -3.147 27.152 30.300 -0.002 0.000 1.186 60 R HN -0.016 8.021 8.270 -0.019 0.221 0.416 83 L N 3.423 124.661 121.223 0.026 0.000 2.011 83 L HA -0.512 3.828 4.340 -0.000 0.000 0.225 83 L C 1.494 178.390 176.870 0.044 0.000 1.084 83 L CA 2.964 57.823 54.840 0.033 0.000 0.791 83 L CB -0.632 41.447 42.059 0.033 0.000 0.898 83 L HN 0.254 8.498 8.230 0.023 0.000 0.440 84 D N -2.521 117.902 120.400 0.039 0.000 2.172 84 D HA -0.277 4.363 4.640 -0.000 0.000 0.196 84 D C 3.002 179.331 176.300 0.049 0.000 0.999 84 D CA 3.449 57.472 54.000 0.039 0.000 0.856 84 D CB -0.199 40.615 40.800 0.024 0.000 0.934 84 D HN 0.069 8.459 8.370 0.032 0.000 0.453 85 V N 0.460 120.400 119.914 0.044 0.000 2.283 85 V HA -0.258 3.862 4.120 -0.000 0.000 0.243 85 V C 1.817 177.946 176.094 0.058 0.000 1.039 85 V CA 3.282 65.611 62.300 0.048 0.000 1.016 85 V CB -0.038 31.806 31.823 0.037 0.000 0.650 85 V HN -0.201 7.912 8.190 0.037 0.099 0.449 86 V N 0.306 120.251 119.914 0.051 0.000 2.233 86 V HA -0.511 3.609 4.120 -0.000 0.000 0.247 86 V C 1.930 178.072 176.094 0.080 0.000 1.050 86 V CA 4.628 66.959 62.300 0.052 0.000 1.010 86 V CB -0.955 30.890 31.823 0.036 0.000 0.637 86 V HN -0.393 7.823 8.190 0.043 0.000 0.444 87 S N -1.417 114.341 115.700 0.097 0.000 2.428 87 S HA -0.433 4.037 4.470 -0.000 0.000 0.240 87 S C 2.222 176.959 174.600 0.227 0.000 1.036 87 S CA 3.832 62.128 58.200 0.160 0.000 1.009 87 S CB -0.763 62.538 63.200 0.170 0.000 0.803 87 S HN 0.054 8.411 8.310 0.078 0.000 0.486 88 N N 0.026 118.834 118.700 0.180 0.000 2.376 88 N HA -0.045 4.695 4.740 -0.000 0.000 0.177 88 N C 2.002 177.618 175.510 0.176 0.000 1.024 88 N CA 2.129 55.307 53.050 0.212 0.000 0.893 88 N CB 0.068 38.645 38.487 0.150 0.000 0.980 88 N HN -0.612 7.705 8.380 0.132 0.143 0.439 89 E N 1.220 121.484 120.200 0.106 0.000 2.051 89 E HA -0.139 4.211 4.350 -0.000 0.000 0.189 89 E C 1.958 178.581 176.600 0.038 0.000 0.979 89 E CA 2.475 58.908 56.400 0.055 0.000 0.803 89 E CB -0.693 29.026 29.700 0.032 0.000 0.761 89 E HN 0.090 8.414 8.360 0.097 0.094 0.451 90 V N 0.117 120.067 119.914 0.060 0.000 2.527 90 V HA -0.381 3.739 4.120 -0.000 0.000 0.255 90 V C 1.662 177.780 176.094 0.040 0.000 1.081 90 V CA 3.876 66.202 62.300 0.043 0.000 1.092 90 V CB -0.967 30.897 31.823 0.068 0.000 0.673 90 V HN 0.139 8.374 8.190 0.076 0.000 0.470 91 F N -2.509 117.381 119.950 -0.101 0.000 2.619 91 F HA 0.048 4.575 4.527 -0.000 0.000 0.293 91 F C 0.917 176.593 175.800 -0.207 0.000 1.119 91 F CA 1.775 59.620 58.000 -0.258 0.000 1.445 91 F CB 0.774 39.483 39.000 -0.484 0.000 1.119 91 F HN -0.492 7.837 8.300 0.226 0.107 0.573 92 S N 1.735 117.305 115.700 -0.217 0.000 2.348 92 S HA -0.372 4.098 4.470 -0.000 0.000 0.221 92 S C 1.411 175.762 174.600 -0.415 0.000 1.033 92 S CA 3.840 61.823 58.200 -0.363 0.000 1.010 92 S CB -0.478 62.642 63.200 -0.132 0.000 0.891 92 S HN 0.253 8.456 8.310 0.011 0.114 0.442 93 S N 1.754 117.299 115.700 -0.258 0.000 2.380 93 S HA -0.259 4.211 4.470 -0.000 0.000 0.213 93 S C 1.904 176.351 174.600 -0.256 0.000 1.037 93 S CA 2.800 60.873 58.200 -0.211 0.000 1.034 93 S CB 0.157 63.283 63.200 -0.123 0.000 1.022 93 S HN -0.637 7.565 8.310 -0.180 0.000 0.418 94 C N -0.945 118.221 119.300 -0.222 0.000 2.393 94 C HA -0.316 4.144 4.460 -0.000 0.000 0.275 94 C C 0.343 175.164 174.990 -0.282 0.000 1.170 94 C CA 2.600 61.494 59.018 -0.206 0.000 1.827 94 C CB -1.294 26.346 27.740 -0.167 0.000 2.131 94 C HN -0.186 7.933 8.230 -0.184 0.000 0.474 95 L N -4.086 116.861 121.223 -0.460 0.000 2.790 95 L HA 0.194 4.534 4.340 -0.000 0.000 0.219 95 L C 1.447 177.986 176.870 -0.552 0.000 2.006 95 L CA -1.757 52.768 54.840 -0.525 0.000 2.500 95 L CB 0.329 41.909 42.059 -0.799 0.000 2.732 95 L HN -0.792 7.078 8.230 -0.564 0.022 0.605 96 R N -1.456 118.677 120.500 -0.612 0.000 1.247 96 R HA -0.454 3.886 4.340 -0.000 0.000 0.031 96 R C 1.483 177.276 176.300 -0.845 0.000 0.958 96 R CA 2.635 58.348 56.100 -0.645 0.000 1.979 96 R CB -1.336 28.589 30.300 -0.626 0.000 0.185 96 R HN 0.536 8.435 8.270 -0.618 0.000 0.728 97 S N 2.449 117.672 115.700 -0.795 0.000 2.894 97 S HA -0.154 4.316 4.470 -0.000 0.000 0.231 97 S C -0.709 173.786 174.600 -0.176 0.000 0.971 97 S CA 0.717 58.607 58.200 -0.517 0.000 1.005 97 S CB -0.489 62.595 63.200 -0.193 0.000 0.799 97 S HN 0.111 7.999 8.310 -0.631 0.043 0.527 98 S N 2.292 117.869 115.700 -0.205 0.000 2.438 98 S HA 0.042 4.512 4.470 -0.000 0.000 0.293 98 S C -0.263 174.337 174.600 0.001 0.000 1.141 98 S CA -0.130 58.020 58.200 -0.083 0.000 1.080 98 S CB 1.100 64.239 63.200 -0.102 0.000 0.978 98 S HN -0.297 7.716 8.310 -0.299 0.117 0.479 99 G N 2.550 111.366 108.800 0.027 0.000 2.734 99 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.287 99 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.287 99 G C -1.137 173.788 174.900 0.041 0.000 0.728 99 G CA 0.347 45.472 45.100 0.042 0.000 1.999 99 G HN 0.557 8.855 8.290 0.014 0.000 0.535 100 R N -2.256 118.275 120.500 0.052 0.000 2.544 100 R HA -0.156 4.184 4.340 -0.000 0.000 0.033 100 R C -1.871 174.493 176.300 0.106 0.000 0.502 100 R CA -0.038 56.092 56.100 0.050 0.000 0.799 100 R CB -1.319 29.054 30.300 0.121 0.000 0.824 100 R HN -0.414 7.867 8.270 0.059 0.023 0.587 101 T N 0.130 114.741 114.554 0.094 0.000 2.922 101 T HA 0.366 4.716 4.350 -0.000 0.000 0.285 101 T C -0.265 174.490 174.700 0.090 0.000 1.005 101 T CA -0.623 61.542 62.100 0.108 0.000 1.061 101 T CB 1.190 70.089 68.868 0.052 0.000 1.007 101 T HN -0.482 7.801 8.240 0.072 0.000 0.502 102 G N 4.242 113.104 108.800 0.103 0.000 3.979 102 G HA2 0.445 4.405 3.960 -0.000 0.000 0.287 102 G HA3 0.445 4.405 3.960 -0.000 0.000 0.287 102 G C -1.865 173.091 174.900 0.093 0.000 1.011 102 G CA -0.623 44.529 45.100 0.086 0.000 0.818 102 G HN 0.684 8.974 8.290 0.126 0.076 0.470 103 I N -2.153 118.474 120.570 0.096 0.000 1.567 103 I HA -0.158 4.012 4.170 -0.000 0.000 0.312 103 I C -2.542 173.634 176.117 0.099 0.000 3.176 103 I CA 0.311 61.666 61.300 0.093 0.000 1.048 103 I CB 2.021 40.079 38.000 0.097 0.000 2.552 103 I HN -0.135 8.052 8.210 0.092 0.079 0.693 104 I N 0.673 121.304 120.570 0.101 0.000 3.181 104 I HA 0.710 4.880 4.170 -0.000 0.000 0.311 104 I C -2.091 174.111 176.117 0.142 0.000 1.287 104 I CA -1.771 59.614 61.300 0.141 0.000 0.958 104 I CB 5.000 43.104 38.000 0.174 0.000 1.294 104 I HN 0.054 8.320 8.210 0.093 0.000 0.467 105 A N -0.012 122.903 122.820 0.158 0.000 2.588 105 A HA 0.618 4.938 4.320 -0.000 0.000 0.290 105 A C -2.354 175.253 177.584 0.038 0.000 1.136 105 A CA -0.636 51.452 52.037 0.085 0.000 0.681 105 A CB 3.550 22.565 19.000 0.025 0.000 1.282 105 A HN 0.349 8.603 8.150 0.173 0.000 0.421 106 S N -1.010 114.670 115.700 -0.033 0.000 2.603 106 S HA 0.391 4.861 4.470 -0.000 0.000 0.274 106 S C -0.032 174.469 174.600 -0.165 0.000 1.168 106 S CA -0.608 57.549 58.200 -0.071 0.000 0.963 106 S CB 3.433 66.676 63.200 0.071 0.000 1.078 106 S HN -0.057 8.345 8.310 -0.028 -0.109 0.477 107 E N 6.820 126.853 120.200 -0.279 0.000 2.840 107 E HA -0.585 3.765 4.350 -0.000 0.000 0.219 107 E C 0.327 176.875 176.600 -0.087 0.000 0.850 107 E CA 3.585 59.833 56.400 -0.253 0.000 1.211 107 E CB -0.316 29.305 29.700 -0.133 0.000 1.288 107 E HN 0.599 8.783 8.360 -0.293 0.000 0.485 108 E N -1.412 118.785 120.200 -0.005 0.000 2.236 108 E HA -0.320 4.030 4.350 -0.000 0.000 0.205 108 E C 1.084 177.723 176.600 0.065 0.000 1.028 108 E CA 1.957 58.388 56.400 0.052 0.000 0.827 108 E CB -0.304 29.418 29.700 0.037 0.000 0.735 108 E HN 0.271 8.621 8.360 -0.017 0.000 0.470 109 E N 1.711 121.928 120.200 0.027 0.000 2.175 109 E HA -0.255 4.095 4.350 -0.000 0.000 0.247 109 E C -1.047 175.587 176.600 0.057 0.000 1.259 109 E CA 0.341 56.764 56.400 0.039 0.000 0.969 109 E CB -0.847 28.869 29.700 0.027 0.000 1.051 109 E HN -0.324 7.978 8.360 -0.007 0.053 0.448 110 D N 3.021 123.483 120.400 0.103 0.000 2.338 110 D HA -0.100 4.540 4.640 -0.000 0.000 0.255 110 D C -0.522 175.845 176.300 0.111 0.000 1.237 110 D CA -0.594 53.501 54.000 0.159 0.000 0.883 110 D CB -0.056 40.857 40.800 0.188 0.000 1.087 110 D HN -0.166 8.249 8.370 0.094 0.011 0.485 111 V N 1.012 120.982 119.914 0.092 0.000 3.411 111 V HA -0.270 3.850 4.120 -0.000 0.000 0.484 111 V C -1.675 174.458 176.094 0.065 0.000 0.682 111 V CA -0.583 61.761 62.300 0.073 0.000 2.023 111 V CB -0.907 30.961 31.823 0.076 0.000 2.468 111 V HN 0.279 8.514 8.190 0.076 0.000 0.502 112 P HA -0.294 4.127 4.420 -0.000 0.000 0.295 112 P C -2.104 175.235 177.300 0.064 0.000 1.874 112 P CA 0.449 63.590 63.100 0.067 0.000 1.621 112 P CB 0.414 32.153 31.700 0.065 0.000 0.388 113 V N -1.668 118.287 119.914 0.069 0.000 2.932 113 V HA 0.136 4.256 4.120 -0.000 0.000 0.307 113 V C -1.284 174.854 176.094 0.073 0.000 1.147 113 V CA -1.588 60.753 62.300 0.069 0.000 0.951 113 V CB 3.937 35.803 31.823 0.071 0.000 1.031 113 V HN 0.104 8.340 8.190 0.075 0.000 0.426 114 A N 6.035 128.899 122.820 0.072 0.000 2.393 114 A HA 0.479 4.799 4.320 -0.000 0.000 0.306 114 A C -1.344 176.294 177.584 0.090 0.000 1.050 114 A CA -0.955 51.129 52.037 0.078 0.000 0.724 114 A CB 2.540 21.583 19.000 0.072 0.000 1.248 114 A HN 0.016 8.208 8.150 0.070 0.000 0.424 115 V N 2.351 122.327 119.914 0.104 0.000 2.368 115 V HA 0.028 4.148 4.120 -0.000 0.000 0.266 115 V C 0.268 176.537 176.094 0.290 0.000 1.045 115 V CA -1.422 60.975 62.300 0.162 0.000 0.899 115 V CB -0.400 31.465 31.823 0.071 0.000 1.006 115 V HN 0.287 8.534 8.190 0.095 0.000 0.470 116 E N 6.632 127.040 120.200 0.347 0.000 2.975 116 E HA -0.319 4.031 4.350 -0.000 0.000 0.269 116 E C 1.243 177.806 176.600 -0.062 0.000 0.905 116 E CA 0.884 57.329 56.400 0.075 0.000 0.967 116 E CB 0.166 29.787 29.700 -0.133 0.000 0.925 116 E HN 0.423 9.038 8.360 0.424 0.000 0.507 117 E N 7.014 127.169 120.200 -0.074 0.000 2.149 117 E HA -0.511 3.839 4.350 -0.000 0.000 0.215 117 E C 2.045 178.563 176.600 -0.136 0.000 1.055 117 E CA 3.317 59.674 56.400 -0.072 0.000 0.870 117 E CB -0.763 28.898 29.700 -0.065 0.000 0.764 117 E HN 0.824 9.150 8.360 -0.056 0.000 0.463 118 S N 0.428 115.956 115.700 -0.286 0.000 2.444 118 S HA -0.245 4.225 4.470 -0.000 0.000 0.244 118 S C 0.822 175.246 174.600 -0.294 0.000 1.025 118 S CA 2.636 60.626 58.200 -0.351 0.000 0.995 118 S CB -0.533 62.367 63.200 -0.499 0.000 0.781 118 S HN 0.231 8.329 8.310 -0.327 0.016 0.496 119 Y N -2.486 117.797 120.300 -0.028 0.000 2.333 119 Y HA 0.037 4.587 4.550 -0.000 0.000 0.287 119 Y C -0.133 175.754 175.900 -0.021 0.000 1.149 119 Y CA 0.328 58.410 58.100 -0.030 0.000 1.193 119 Y CB 0.497 38.935 38.460 -0.036 0.000 1.175 119 Y HN 0.140 8.058 8.280 -0.269 0.201 0.518 120 S N -1.642 114.167 115.700 0.181 0.000 2.924 120 S HA -0.371 4.099 4.470 -0.000 0.000 0.634 120 S C -0.064 174.576 174.600 0.065 0.000 3.063 120 S CA 1.454 59.708 58.200 0.091 0.000 3.276 120 S CB 0.384 63.606 63.200 0.037 0.000 0.332 120 S HN -0.581 7.872 8.310 0.240 0.000 1.789 121 G N -3.178 105.638 108.800 0.028 0.000 2.145 121 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.203 121 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.203 121 G C -2.226 172.657 174.900 -0.028 0.000 1.096 121 G CA 0.164 45.260 45.100 -0.007 0.000 1.282 121 G HN 0.043 8.346 8.290 0.021 0.000 0.474 122 N N 0.590 119.273 118.700 -0.030 0.000 2.529 122 N HA -0.017 4.723 4.740 -0.000 0.000 0.328 122 N C -0.737 174.824 175.510 0.085 0.000 0.606 122 N CA 0.300 53.336 53.050 -0.023 0.000 1.182 122 N CB 0.961 39.377 38.487 -0.117 0.000 1.946 122 N HN -0.213 8.035 8.380 -0.013 0.124 1.584 123 Y N 0.558 120.890 120.300 0.054 0.000 2.986 123 Y HA -0.264 4.286 4.550 -0.000 0.000 0.342 123 Y C -0.439 175.499 175.900 0.063 0.000 1.275 123 Y CA 2.092 60.230 58.100 0.064 0.000 1.527 123 Y CB 0.039 38.531 38.460 0.053 0.000 1.296 123 Y HN -0.419 7.776 8.280 -0.142 0.000 0.628 124 I N 0.496 121.212 120.570 0.242 0.000 2.608 124 I HA 0.413 4.583 4.170 -0.000 0.000 0.295 124 I C -2.112 174.023 176.117 0.030 0.000 1.049 124 I CA -1.105 60.277 61.300 0.138 0.000 1.063 124 I CB 3.931 42.025 38.000 0.157 0.000 1.248 124 I HN 0.403 8.768 8.210 0.259 0.000 0.424 125 V N 6.674 126.611 119.914 0.038 0.000 2.444 125 V HA 0.609 4.729 4.120 -0.000 0.000 0.294 125 V C -2.166 173.924 176.094 -0.007 0.000 1.022 125 V CA -2.330 59.970 62.300 0.000 0.000 0.850 125 V CB 2.478 34.372 31.823 0.118 0.000 0.992 125 V HN -0.117 8.130 8.190 0.096 0.000 0.426 126 V N 9.200 129.030 119.914 -0.140 0.000 2.348 126 V HA 0.486 4.606 4.120 -0.000 0.000 0.270 126 V C -1.389 174.686 176.094 -0.032 0.000 1.037 126 V CA -1.629 60.624 62.300 -0.078 0.000 0.872 126 V CB -1.060 30.727 31.823 -0.059 0.000 1.002 126 V HN 0.215 8.226 8.190 -0.299 0.000 0.464 127 F N 9.737 129.502 119.950 -0.308 0.000 2.427 127 F HA 0.404 4.931 4.527 -0.000 0.000 0.348 127 F C -2.027 173.576 175.800 -0.329 0.000 1.125 127 F CA -1.773 55.984 58.000 -0.405 0.000 0.989 127 F CB 3.528 41.912 39.000 -1.027 0.000 1.165 127 F HN 0.189 8.453 8.300 -0.060 0.000 0.442 128 D N 7.578 127.671 120.400 -0.512 0.000 2.454 128 D HA 0.382 5.022 4.640 -0.000 0.000 0.225 128 D C -0.963 175.022 176.300 -0.525 0.000 1.081 128 D CA -3.325 50.429 54.000 -0.410 0.000 0.864 128 D CB 0.170 40.790 40.800 -0.301 0.000 1.040 128 D HN -0.359 7.711 8.370 -0.499 0.000 0.517 129 P HA -0.382 4.038 4.420 -0.000 0.000 0.240 129 P C -0.821 176.346 177.300 -0.222 0.000 0.765 129 P CA 2.147 65.105 63.100 -0.237 0.000 1.100 129 P CB 0.245 31.929 31.700 -0.028 0.000 0.753 130 L N -4.707 116.457 121.223 -0.099 0.000 2.335 130 L HA 0.155 4.495 4.340 -0.000 0.000 0.268 130 L C 0.907 177.722 176.870 -0.091 0.000 1.016 130 L CA -2.333 52.478 54.840 -0.047 0.000 0.805 130 L CB 1.737 43.813 42.059 0.028 0.000 1.311 130 L HN -0.587 7.595 8.230 -0.080 0.000 0.456 131 D N -0.407 119.943 120.400 -0.083 0.000 2.194 131 D HA -0.109 4.531 4.640 -0.000 0.000 0.204 131 D C -0.134 176.129 176.300 -0.061 0.000 0.964 131 D CA 1.036 54.979 54.000 -0.095 0.000 0.846 131 D CB 0.402 41.128 40.800 -0.124 0.000 0.962 131 D HN 0.102 8.434 8.370 -0.063 0.000 0.490 132 G N -1.747 107.031 108.800 -0.037 0.000 2.672 132 G HA2 0.013 3.973 3.960 -0.000 0.000 0.292 132 G HA3 0.013 3.973 3.960 -0.000 0.000 0.292 132 G C -1.132 173.766 174.900 -0.003 0.000 1.375 132 G CA -0.720 44.369 45.100 -0.018 0.000 0.890 132 G HN -0.557 7.715 8.290 -0.030 0.000 0.476 133 S N 0.221 115.924 115.700 0.005 0.000 2.499 133 S HA 0.318 4.788 4.470 -0.000 0.000 0.238 133 S C -0.524 174.087 174.600 0.018 0.000 1.205 133 S CA 0.521 58.728 58.200 0.011 0.000 1.203 133 S CB -0.032 63.174 63.200 0.010 0.000 0.954 133 S HN 0.016 8.329 8.310 0.005 0.000 0.484 134 S N 1.653 117.365 115.700 0.020 0.000 3.352 134 S HA -0.077 4.393 4.470 -0.000 0.000 0.242 134 S C 0.661 175.274 174.600 0.022 0.000 1.075 134 S CA 0.969 59.184 58.200 0.025 0.000 1.026 134 S CB 0.796 64.018 63.200 0.036 0.000 1.009 134 S HN -0.303 7.955 8.310 0.016 0.062 0.429 135 N N 2.454 121.164 118.700 0.017 0.000 2.025 135 N HA -0.196 4.544 4.740 -0.000 0.000 0.194 135 N C 1.647 177.159 175.510 0.003 0.000 1.044 135 N CA 2.550 55.603 53.050 0.006 0.000 0.851 135 N CB -0.451 38.028 38.487 -0.013 0.000 1.036 135 N HN 0.136 8.526 8.380 0.017 0.000 0.422 136 I N 0.689 121.263 120.570 0.005 0.000 2.253 136 I HA -0.605 3.565 4.170 -0.000 0.000 0.234 136 I C 1.629 177.755 176.117 0.014 0.000 0.978 136 I CA 3.371 64.679 61.300 0.013 0.000 1.271 136 I CB -0.569 37.447 38.000 0.027 0.000 0.978 136 I HN -0.168 8.046 8.210 0.006 0.000 0.394 137 D N -0.391 120.019 120.400 0.016 0.000 2.315 137 D HA -0.457 4.183 4.640 -0.000 0.000 0.198 137 D C 0.751 177.059 176.300 0.013 0.000 1.010 137 D CA 2.507 56.517 54.000 0.016 0.000 0.911 137 D CB -1.075 39.734 40.800 0.016 0.000 0.897 137 D HN -0.035 8.346 8.370 0.018 0.000 0.455 138 A N 0.142 122.968 122.820 0.011 0.000 1.830 138 A HA -0.192 4.128 4.320 -0.000 0.000 0.214 138 A C 0.142 177.731 177.584 0.008 0.000 1.218 138 A CA 1.494 53.536 52.037 0.009 0.000 0.628 138 A CB 0.502 19.505 19.000 0.005 0.000 0.860 138 A HN -0.123 7.986 8.150 0.010 0.047 0.454 139 A N -4.756 118.067 122.820 0.004 0.000 2.307 139 A HA 0.040 4.360 4.320 -0.000 0.000 0.227 139 A C -1.149 176.435 177.584 0.000 0.000 2.319 139 A CA 0.064 52.105 52.037 0.006 0.000 1.868 139 A CB 0.125 19.129 19.000 0.006 0.000 0.663 139 A HN -0.244 7.906 8.150 -0.000 0.000 0.871 140 V N -0.921 118.991 119.914 -0.004 0.000 6.113 140 V HA 0.589 4.709 4.120 -0.000 0.000 0.273 140 V C -0.566 175.526 176.094 -0.003 0.000 1.580 140 V CA -1.258 61.031 62.300 -0.017 0.000 0.634 140 V CB 1.366 33.166 31.823 -0.039 0.000 1.447 140 V HN -0.454 7.737 8.190 0.001 0.000 0.389 141 S N -0.537 115.154 115.700 -0.015 0.000 2.720 141 S HA 0.219 4.689 4.470 -0.000 0.000 0.287 141 S C -1.373 173.223 174.600 -0.007 0.000 1.168 141 S CA -0.611 57.587 58.200 -0.002 0.000 0.832 141 S CB 2.403 65.582 63.200 -0.036 0.000 1.166 141 S HN -0.071 8.219 8.310 -0.034 0.000 0.493 142 T N -2.198 112.352 114.554 -0.007 0.000 4.048 142 T HA 0.061 4.411 4.350 -0.000 0.000 0.321 142 T C -0.418 174.216 174.700 -0.110 0.000 0.890 142 T CA -0.053 62.044 62.100 -0.005 0.000 0.950 142 T CB 0.347 69.280 68.868 0.107 0.000 1.150 142 T HN 0.150 8.379 8.240 -0.018 0.000 0.557 143 G N 1.553 110.156 108.800 -0.329 0.000 2.752 143 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.226 143 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.226 143 G C -1.349 173.350 174.900 -0.335 0.000 1.185 143 G CA 0.698 45.459 45.100 -0.565 0.000 0.854 143 G HN -0.078 8.056 8.290 -0.261 0.000 0.540 144 S N 1.638 117.157 115.700 -0.301 0.000 2.730 144 S HA 0.674 5.144 4.470 -0.000 0.000 0.284 144 S C -1.032 173.463 174.600 -0.174 0.000 1.153 144 S CA -0.396 57.689 58.200 -0.192 0.000 0.995 144 S CB 2.332 65.511 63.200 -0.035 0.000 1.058 144 S HN -0.173 7.867 8.310 -0.450 0.000 0.552 145 I N 0.397 120.785 120.570 -0.304 0.000 2.619 145 I HA 0.736 4.906 4.170 -0.000 0.000 0.292 145 I C -2.197 173.864 176.117 -0.094 0.000 1.100 145 I CA -0.442 60.760 61.300 -0.163 0.000 1.043 145 I CB 3.696 41.596 38.000 -0.167 0.000 1.239 145 I HN -0.458 7.410 8.210 -0.570 0.000 0.420 146 F N 2.710 122.630 119.950 -0.050 0.000 2.650 146 F HA 0.700 5.227 4.527 -0.000 0.000 0.320 146 F C -2.271 173.524 175.800 -0.008 0.000 1.091 146 F CA -2.375 55.632 58.000 0.011 0.000 0.962 146 F CB 3.502 42.596 39.000 0.156 0.000 1.363 146 F HN 0.911 9.014 8.300 -0.328 0.000 0.482 147 G N -1.027 107.867 108.800 0.157 0.000 2.078 147 G HA2 0.178 4.138 3.960 -0.000 0.000 0.297 147 G HA3 0.178 4.138 3.960 -0.000 0.000 0.297 147 G C -1.612 173.191 174.900 -0.161 0.000 1.370 147 G CA -0.028 45.062 45.100 -0.016 0.000 1.222 147 G HN -0.060 8.362 8.290 0.220 0.000 0.586 148 I N 3.280 123.850 120.570 0.000 0.000 2.278 148 I HA 0.451 4.621 4.170 -0.000 0.000 0.296 148 I C -1.143 174.957 176.117 -0.028 0.000 1.121 148 I CA -1.636 59.615 61.300 -0.082 0.000 1.267 148 I CB -1.785 36.143 38.000 -0.120 0.000 1.447 148 I HN -0.342 7.951 8.210 0.139 0.000 0.509 149 Y N 7.678 128.019 120.300 0.068 0.000 2.314 149 Y HA 0.015 4.565 4.550 -0.000 0.000 0.334 149 Y C -0.364 175.617 175.900 0.134 0.000 1.266 149 Y CA -1.013 57.124 58.100 0.062 0.000 1.391 149 Y CB 0.640 39.133 38.460 0.056 0.000 1.306 149 Y HN 0.556 8.553 8.280 -0.339 0.080 0.558 150 S N 0.247 116.141 115.700 0.323 0.000 2.622 150 S HA 0.332 4.802 4.470 -0.000 0.000 0.283 150 S C -2.349 172.375 174.600 0.206 0.000 1.197 150 S CA -3.879 54.525 58.200 0.340 0.000 1.146 150 S CB 0.568 63.996 63.200 0.379 0.000 1.007 150 S HN -0.065 8.404 8.310 0.265 0.000 0.478 151 P HA -0.108 4.312 4.420 -0.000 0.000 0.243 151 P C -0.723 176.618 177.300 0.069 0.000 1.134 151 P CA 0.199 63.364 63.100 0.108 0.000 1.109 151 P CB -0.518 31.241 31.700 0.097 0.000 1.140 152 N N 2.601 121.335 118.700 0.056 0.000 2.588 152 N HA -0.329 4.411 4.740 -0.000 0.000 0.190 152 N C -0.650 174.875 175.510 0.025 0.000 1.094 152 N CA 1.204 54.276 53.050 0.037 0.000 0.921 152 N CB 0.350 38.853 38.487 0.027 0.000 0.959 152 N HN 0.296 8.854 8.380 0.055 -0.145 0.448 153 D N -2.556 117.860 120.400 0.027 0.000 2.653 153 D HA 0.094 4.734 4.640 -0.000 0.000 0.258 153 D C -2.136 174.182 176.300 0.029 0.000 1.252 153 D CA -0.218 53.794 54.000 0.021 0.000 0.777 153 D CB 3.467 44.277 40.800 0.016 0.000 1.339 153 D HN -0.631 7.694 8.370 0.035 0.066 0.422 154 E N -0.272 119.944 120.200 0.027 0.000 2.445 154 E HA 0.321 4.671 4.350 -0.000 0.000 0.279 154 E C -1.801 174.819 176.600 0.033 0.000 1.018 154 E CA -0.927 55.495 56.400 0.037 0.000 0.816 154 E CB 2.745 32.470 29.700 0.041 0.000 1.356 154 E HN 0.121 8.493 8.360 0.020 0.000 0.462 155 C N 0.751 120.076 119.300 0.041 0.000 3.323 155 C HA 0.661 5.121 4.460 -0.000 0.000 0.324 155 C C -2.085 172.931 174.990 0.043 0.000 1.428 155 C CA -0.951 58.090 59.018 0.037 0.000 1.368 155 C CB 2.625 30.386 27.740 0.034 0.000 1.731 155 C HN 0.644 8.904 8.230 0.051 0.000 0.455 156 I N -0.326 120.268 120.570 0.039 0.000 2.352 156 I HA 0.139 4.309 4.170 -0.000 0.000 0.315 156 I C -1.442 174.696 176.117 0.035 0.000 2.337 156 I CA -0.441 60.885 61.300 0.043 0.000 0.932 156 I CB 1.983 40.011 38.000 0.047 0.000 1.697 156 I HN -0.050 8.179 8.210 0.033 0.000 0.685 157 V N -0.026 119.910 119.914 0.037 0.000 3.488 157 V HA 0.483 4.603 4.120 -0.000 0.000 0.291 157 V C -1.043 175.067 176.094 0.027 0.000 1.163 157 V CA -0.452 61.867 62.300 0.031 0.000 0.971 157 V CB 0.941 32.785 31.823 0.034 0.000 1.245 157 V HN 0.085 8.300 8.190 0.043 0.000 0.456 158 D N -1.331 119.083 120.400 0.023 0.000 2.350 158 D HA 0.184 4.824 4.640 -0.000 0.000 0.272 158 D C 0.412 176.722 176.300 0.018 0.000 1.204 158 D CA -0.166 53.844 54.000 0.016 0.000 1.124 158 D CB 0.888 41.696 40.800 0.014 0.000 1.189 158 D HN 0.183 8.568 8.370 0.025 0.000 0.556 159 S N 0.198 115.907 115.700 0.014 0.000 2.232 159 S HA 0.010 4.480 4.470 -0.000 0.000 0.240 159 S C -0.033 174.597 174.600 0.051 0.000 1.224 159 S CA 0.522 58.732 58.200 0.016 0.000 1.019 159 S CB 0.370 63.572 63.200 0.002 0.000 1.039 159 S HN 0.046 8.364 8.310 0.012 0.000 0.439 160 D N -0.945 119.503 120.400 0.080 0.000 4.658 160 D HA -0.236 4.404 4.640 -0.000 0.000 0.304 160 D C -1.716 174.750 176.300 0.278 0.000 2.363 160 D CA 1.196 55.291 54.000 0.159 0.000 1.179 160 D CB 0.152 41.002 40.800 0.084 0.000 1.091 160 D HN 0.197 8.603 8.370 0.059 0.000 1.274 161 H N -4.010 115.064 119.070 0.006 0.000 2.869 161 H HA 0.066 4.622 4.556 -0.000 0.000 0.265 161 H C -1.976 173.357 175.328 0.010 0.000 1.227 161 H CA -0.533 55.521 56.048 0.010 0.000 1.677 161 H CB 0.934 30.702 29.762 0.010 0.000 1.927 161 H HN 0.050 8.394 8.280 0.106 0.000 0.495 162 D N 4.009 124.316 120.400 -0.154 0.000 2.656 162 D HA 0.162 4.802 4.640 -0.000 0.000 0.303 162 D C 0.279 176.518 176.300 -0.102 0.000 1.199 162 D CA -0.199 53.684 54.000 -0.195 0.000 0.797 162 D CB 0.605 41.341 40.800 -0.108 0.000 1.170 162 D HN 0.261 8.619 8.370 -0.020 0.000 0.509 163 D N 2.046 122.388 120.400 -0.096 0.000 4.195 163 D HA -0.439 4.201 4.640 -0.000 0.000 0.198 163 D C 0.059 176.372 176.300 0.023 0.000 1.063 163 D CA 2.133 56.122 54.000 -0.018 0.000 2.321 163 D CB -1.007 39.779 40.800 -0.024 0.000 1.163 163 D HN 0.531 8.790 8.370 -0.186 0.000 0.415 164 E N -0.517 119.693 120.200 0.017 0.000 2.312 164 E HA -0.331 4.019 4.350 -0.000 0.000 0.232 164 E C -0.511 176.111 176.600 0.037 0.000 1.355 164 E CA 1.152 57.570 56.400 0.030 0.000 0.713 164 E CB -1.629 28.096 29.700 0.041 0.000 1.178 164 E HN 0.136 8.455 8.360 0.001 0.042 0.378 165 S N -3.546 112.173 115.700 0.032 0.000 2.701 165 S HA -0.188 4.282 4.470 -0.000 0.000 0.220 165 S C -0.492 174.126 174.600 0.029 0.000 0.954 165 S CA 0.012 58.233 58.200 0.034 0.000 0.936 165 S CB 0.363 63.582 63.200 0.032 0.000 0.777 165 S HN -0.114 8.169 8.310 0.026 0.042 0.518 166 Q N 1.410 121.227 119.800 0.028 0.000 2.226 166 Q HA 0.068 4.408 4.340 -0.000 0.000 0.256 166 Q C -0.868 175.150 176.000 0.029 0.000 0.962 166 Q CA -0.826 54.992 55.803 0.026 0.000 0.887 166 Q CB 1.451 30.202 28.738 0.022 0.000 1.282 166 Q HN -0.495 7.687 8.270 0.029 0.106 0.449 167 L N -4.501 116.739 121.223 0.028 0.000 2.998 167 L HA 0.384 4.724 4.340 -0.000 0.000 0.234 167 L C -0.757 176.131 176.870 0.031 0.000 1.350 167 L CA 0.296 55.155 54.840 0.031 0.000 1.202 167 L CB -0.320 41.757 42.059 0.029 0.000 1.583 167 L HN -0.031 8.215 8.230 0.025 0.000 0.456 168 S N -1.251 114.468 115.700 0.031 0.000 2.769 168 S HA 0.101 4.571 4.470 -0.000 0.000 0.150 168 S C -1.810 172.809 174.600 0.031 0.000 1.034 168 S CA 0.141 58.359 58.200 0.030 0.000 1.096 168 S CB 0.402 63.617 63.200 0.024 0.000 1.567 168 S HN -0.229 8.004 8.310 0.031 0.095 0.435 169 A N 3.826 126.668 122.820 0.036 0.000 2.429 169 A HA 0.115 4.435 4.320 -0.000 0.000 0.289 169 A C -2.571 175.040 177.584 0.045 0.000 1.043 169 A CA 0.324 52.383 52.037 0.037 0.000 0.722 169 A CB 1.948 20.969 19.000 0.035 0.000 1.243 169 A HN 0.131 8.305 8.150 0.041 0.000 0.415 170 E N 0.816 121.043 120.200 0.045 0.000 2.388 170 E HA 0.237 4.587 4.350 -0.000 0.000 0.281 170 E C -2.194 174.433 176.600 0.046 0.000 1.046 170 E CA -0.557 55.876 56.400 0.054 0.000 0.825 170 E CB 1.462 31.203 29.700 0.069 0.000 1.243 170 E HN -0.246 8.137 8.360 0.038 0.000 0.438 171 E N 0.431 120.661 120.200 0.049 0.000 1.958 171 E HA 0.199 4.549 4.350 -0.000 0.000 0.166 171 E C -0.948 175.677 176.600 0.043 0.000 1.340 171 E CA -0.243 56.182 56.400 0.041 0.000 0.910 171 E CB 0.497 30.217 29.700 0.034 0.000 2.030 171 E HN 0.197 8.590 8.360 0.056 0.000 0.534 172 Q N 0.012 119.833 119.800 0.035 0.000 2.188 172 Q HA 0.086 4.426 4.340 -0.000 0.000 0.212 172 Q C -0.575 175.445 176.000 0.032 0.000 0.846 172 Q CA -0.618 55.205 55.803 0.034 0.000 0.989 172 Q CB 0.978 29.733 28.738 0.027 0.000 1.114 172 Q HN -0.014 8.275 8.270 0.031 0.000 0.488 173 R N 2.434 122.955 120.500 0.035 0.000 2.485 173 R HA -0.112 4.228 4.340 -0.000 0.000 0.304 173 R C -0.677 175.643 176.300 0.033 0.000 0.934 173 R CA 0.446 56.566 56.100 0.033 0.000 1.102 173 R CB 0.547 30.869 30.300 0.037 0.000 0.906 173 R HN -0.073 8.138 8.270 0.038 0.081 0.407 174 C N 8.940 128.257 119.300 0.028 0.000 2.887 174 C HA -0.082 4.378 4.460 -0.000 0.000 0.392 174 C C 0.999 176.007 174.990 0.029 0.000 1.191 174 C CA -0.383 58.650 59.018 0.025 0.000 1.252 174 C CB -2.089 25.663 27.740 0.021 0.000 1.926 174 C HN 0.301 8.547 8.230 0.026 0.000 0.589 175 V N 8.785 128.718 119.914 0.033 0.000 2.244 175 V HA -0.442 3.678 4.120 -0.000 0.000 0.248 175 V C 1.355 177.472 176.094 0.037 0.000 1.038 175 V CA 3.505 65.828 62.300 0.038 0.000 1.026 175 V CB -0.419 31.426 31.823 0.036 0.000 0.660 175 V HN 0.592 8.779 8.190 0.033 0.023 0.472 176 V N -2.092 117.839 119.914 0.027 0.000 0.555 176 V HA -0.558 3.562 4.120 -0.000 0.000 0.092 176 V C 1.274 177.392 176.094 0.040 0.000 2.037 176 V CA 2.830 65.144 62.300 0.023 0.000 3.484 176 V CB -0.836 30.997 31.823 0.016 0.000 0.777 176 V HN 0.029 8.231 8.190 0.020 0.000 0.808 177 N N -0.992 117.740 118.700 0.053 0.000 2.053 177 N HA -0.324 4.416 4.740 -0.000 0.000 0.200 177 N C 1.142 176.718 175.510 0.109 0.000 1.041 177 N CA 2.228 55.322 53.050 0.074 0.000 0.882 177 N CB -0.332 38.198 38.487 0.072 0.000 1.080 177 N HN 0.367 8.744 8.380 0.046 0.030 0.481 178 V N 1.022 121.007 119.914 0.118 0.000 2.252 178 V HA -0.237 3.883 4.120 -0.000 0.000 0.249 178 V C 0.794 177.009 176.094 0.202 0.000 1.056 178 V CA 3.087 65.489 62.300 0.169 0.000 1.022 178 V CB -0.240 31.675 31.823 0.153 0.000 0.641 178 V HN 0.068 8.316 8.190 0.096 0.000 0.445 179 C N 1.608 120.975 119.300 0.111 0.000 3.260 179 C HA -0.068 4.393 4.460 -0.000 0.000 0.459 179 C C -0.368 174.606 174.990 -0.027 0.000 1.044 179 C CA -0.468 58.571 59.018 0.036 0.000 1.091 179 C CB -3.213 24.521 27.740 -0.008 0.000 1.536 179 C HN -0.012 8.213 8.230 0.084 0.055 0.590 180 Q N 2.234 121.991 119.800 -0.072 0.000 2.331 180 Q HA 0.344 4.684 4.340 -0.000 0.000 0.257 180 Q C -1.829 173.888 176.000 -0.472 0.000 0.957 180 Q CA -3.121 52.540 55.803 -0.237 0.000 0.923 180 Q CB -0.033 28.640 28.738 -0.108 0.000 1.212 180 Q HN -0.176 8.098 8.270 0.076 0.042 0.443 181 P HA -0.141 4.279 4.420 -0.000 0.000 0.271 181 P C 0.338 177.438 177.300 -0.333 0.000 1.197 181 P CA 0.440 63.386 63.100 -0.257 0.000 0.777 181 P CB 0.504 32.113 31.700 -0.151 0.000 0.827 182 G N -0.694 107.946 108.800 -0.268 0.000 3.295 182 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.231 182 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.231 182 G C -0.783 173.986 174.900 -0.218 0.000 1.277 182 G CA 0.820 45.753 45.100 -0.279 0.000 1.013 182 G HN 0.502 8.666 8.290 -0.210 0.000 0.509 183 D N -0.802 119.495 120.400 -0.172 0.000 2.338 183 D HA 0.008 4.648 4.640 -0.000 0.000 0.208 183 D C 0.605 176.847 176.300 -0.095 0.000 0.997 183 D CA 0.154 54.094 54.000 -0.101 0.000 0.880 183 D CB 0.858 41.618 40.800 -0.066 0.000 0.980 183 D HN -0.208 7.929 8.370 -0.183 0.124 0.509 184 N N -0.146 118.475 118.700 -0.131 0.000 2.236 184 N HA -0.112 4.628 4.740 -0.000 0.000 0.195 184 N C 0.632 176.102 175.510 -0.068 0.000 1.048 184 N CA 0.300 53.311 53.050 -0.064 0.000 0.927 184 N CB 0.229 38.679 38.487 -0.061 0.000 1.112 184 N HN -0.538 7.587 8.380 -0.192 0.140 0.482 185 L N 2.215 123.397 121.223 -0.069 0.000 4.053 185 L HA -0.318 4.022 4.340 -0.000 0.000 0.479 185 L C 0.591 177.410 176.870 -0.084 0.000 0.886 185 L CA 0.756 55.610 54.840 0.024 0.000 0.766 185 L CB 0.133 42.088 42.059 -0.174 0.000 1.153 185 L HN -0.106 7.995 8.230 -0.216 0.000 0.861 186 L N 1.882 123.146 121.223 0.070 0.000 2.529 186 L HA 0.357 4.697 4.340 -0.000 0.000 0.223 186 L C -0.822 176.156 176.870 0.179 0.000 1.113 186 L CA 0.135 55.044 54.840 0.115 0.000 0.861 186 L CB 0.368 42.501 42.059 0.123 0.000 1.012 186 L HN 0.018 8.320 8.230 0.121 0.000 0.461 187 A N -3.734 119.186 122.820 0.168 0.000 2.606 187 A HA 0.437 4.757 4.320 -0.000 0.000 0.293 187 A C -2.641 175.054 177.584 0.185 0.000 1.082 187 A CA -0.542 51.625 52.037 0.217 0.000 0.685 187 A CB 3.179 22.299 19.000 0.200 0.000 1.284 187 A HN -0.774 7.454 8.150 0.130 0.000 0.408 188 A N -1.289 121.611 122.820 0.134 0.000 2.610 188 A HA 0.855 5.175 4.320 -0.000 0.000 0.291 188 A C -2.347 174.989 177.584 -0.413 0.000 1.086 188 A CA -0.757 51.218 52.037 -0.103 0.000 0.677 188 A CB 3.100 22.140 19.000 0.068 0.000 1.278 188 A HN 0.845 8.989 8.150 0.179 0.114 0.414 189 G N -2.739 105.501 108.800 -0.933 0.000 2.320 189 G HA2 0.680 4.640 3.960 -0.000 0.000 0.296 189 G HA3 0.680 4.640 3.960 -0.000 0.000 0.296 189 G C -3.431 170.929 174.900 -0.899 0.000 1.306 189 G CA 1.091 45.626 45.100 -0.941 0.000 0.836 189 G HN -0.232 7.472 8.290 -0.976 0.000 0.517 190 Y N -5.751 114.169 120.300 -0.632 0.000 2.689 190 Y HA 0.925 5.475 4.550 -0.000 0.000 0.333 190 Y C -2.863 172.789 175.900 -0.414 0.000 1.208 190 Y CA -2.713 55.152 58.100 -0.391 0.000 1.055 190 Y CB 2.727 41.012 38.460 -0.291 0.000 1.304 190 Y HN 0.677 8.217 8.280 -1.060 0.104 0.455 191 C N 1.835 121.056 119.300 -0.132 0.000 2.344 191 C HA 0.677 5.137 4.460 -0.000 0.000 0.326 191 C C -1.845 172.962 174.990 -0.305 0.000 1.201 191 C CA -2.368 56.575 59.018 -0.125 0.000 1.410 191 C CB 1.312 29.200 27.740 0.246 0.000 2.070 191 C HN 0.315 8.535 8.230 -0.016 0.000 0.445 192 M N 7.722 127.198 119.600 -0.207 0.000 2.105 192 M HA 0.344 4.824 4.480 -0.000 0.000 0.350 192 M C -1.818 174.329 176.300 -0.254 0.000 1.308 192 M CA -0.382 54.744 55.300 -0.290 0.000 1.108 192 M CB 2.090 34.573 32.600 -0.195 0.000 1.622 192 M HN 0.558 8.755 8.290 -0.155 0.000 0.468 193 Y N 6.410 126.740 120.300 0.051 0.000 2.903 193 Y HA 0.133 4.683 4.550 -0.000 0.000 0.387 193 Y C -0.783 175.133 175.900 0.028 0.000 1.189 193 Y CA -3.326 54.804 58.100 0.050 0.000 1.856 193 Y CB -2.860 35.632 38.460 0.053 0.000 1.917 193 Y HN 0.610 8.621 8.280 -0.627 -0.107 0.448 194 S N 0.852 116.612 115.700 0.100 0.000 2.354 194 S HA 0.028 4.498 4.470 -0.000 0.000 0.209 194 S C 0.309 174.954 174.600 0.075 0.000 1.248 194 S CA 0.146 58.387 58.200 0.067 0.000 1.211 194 S CB 0.965 64.188 63.200 0.039 0.000 0.896 194 S HN -0.647 7.648 8.310 0.076 0.061 0.447 195 S N -0.329 115.405 115.700 0.057 0.000 2.677 195 S HA 0.092 4.562 4.470 -0.000 0.000 0.246 195 S C -1.444 173.187 174.600 0.052 0.000 1.005 195 S CA -0.385 57.845 58.200 0.048 0.000 1.062 195 S CB -0.525 62.697 63.200 0.036 0.000 0.778 195 S HN -0.102 8.238 8.310 0.050 0.000 0.461 196 S N -2.805 112.937 115.700 0.070 0.000 2.467 196 S HA -0.054 4.416 4.470 -0.000 0.000 0.320 196 S C -1.485 173.179 174.600 0.107 0.000 0.940 196 S CA 0.011 58.254 58.200 0.071 0.000 0.896 196 S CB 1.400 64.638 63.200 0.063 0.000 1.172 196 S HN -0.842 7.399 8.310 0.084 0.119 0.450 197 V N 4.205 124.203 119.914 0.138 0.000 2.403 197 V HA -0.036 4.084 4.120 -0.000 0.000 0.265 197 V C -0.783 175.481 176.094 0.284 0.000 1.034 197 V CA 0.727 63.174 62.300 0.246 0.000 1.036 197 V CB -0.920 31.065 31.823 0.270 0.000 1.032 197 V HN 0.601 8.848 8.190 0.095 0.000 0.478 198 I N 7.429 128.119 120.570 0.200 0.000 2.359 198 I HA 0.455 4.625 4.170 -0.000 0.000 0.294 198 I C -1.746 174.465 176.117 0.155 0.000 0.987 198 I CA -2.893 58.495 61.300 0.147 0.000 1.225 198 I CB 0.704 38.628 38.000 -0.128 0.000 1.366 198 I HN 0.003 8.280 8.210 0.113 0.000 0.466 199 F N 8.785 128.783 119.950 0.081 0.000 2.426 199 F HA 0.528 5.055 4.527 -0.000 0.000 0.348 199 F C -2.313 173.396 175.800 -0.153 0.000 1.124 199 F CA -1.680 56.270 58.000 -0.084 0.000 1.008 199 F CB 2.164 40.889 39.000 -0.458 0.000 1.139 199 F HN 0.643 9.088 8.300 0.439 0.119 0.452 200 V N 7.191 126.674 119.914 -0.719 0.000 2.735 200 V HA 0.865 4.985 4.120 -0.000 0.000 0.310 200 V C -2.144 173.551 176.094 -0.666 0.000 1.061 200 V CA -2.104 59.777 62.300 -0.698 0.000 0.913 200 V CB 1.992 33.250 31.823 -0.941 0.000 1.005 200 V HN 1.103 8.645 8.190 -1.079 0.000 0.428 201 L N 1.516 122.595 121.223 -0.240 0.000 2.672 201 L HA 0.813 5.153 4.340 -0.000 0.000 0.256 201 L C -2.819 174.184 176.870 0.222 0.000 0.946 201 L CA -0.086 54.736 54.840 -0.031 0.000 0.889 201 L CB 3.539 45.773 42.059 0.293 0.000 1.441 201 L HN 0.661 8.783 8.230 -0.180 0.000 0.418 202 T N 1.497 116.172 114.554 0.201 0.000 2.840 202 T HA 0.627 4.977 4.350 -0.000 0.000 0.287 202 T C -1.100 173.793 174.700 0.322 0.000 0.991 202 T CA -0.756 61.530 62.100 0.309 0.000 0.964 202 T CB 2.246 71.187 68.868 0.122 0.000 0.954 202 T HN 0.823 9.016 8.240 0.100 0.107 0.438 203 I N 7.255 128.058 120.570 0.388 0.000 3.603 203 I HA 0.346 4.516 4.170 -0.000 0.000 0.297 203 I C -0.379 175.898 176.117 0.266 0.000 1.269 203 I CA -2.401 59.072 61.300 0.289 0.000 1.361 203 I CB 1.421 39.560 38.000 0.232 0.000 1.063 203 I HN 0.678 9.217 8.210 0.548 0.000 0.448 204 G N -0.433 108.530 108.800 0.271 0.000 2.263 204 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.207 204 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.207 204 G C -1.310 173.694 174.900 0.173 0.000 1.072 204 G CA -0.093 45.133 45.100 0.210 0.000 0.800 204 G HN -0.774 7.655 8.290 0.312 0.048 0.491 205 K N -0.095 120.423 120.400 0.195 0.000 3.529 205 K HA 0.080 4.400 4.320 -0.000 0.000 0.163 205 K C -1.775 174.877 176.600 0.086 0.000 1.066 205 K CA -0.791 55.597 56.287 0.168 0.000 0.748 205 K CB -0.080 32.562 32.500 0.236 0.000 0.839 205 K HN -0.447 7.937 8.250 0.224 0.000 0.503 206 G N -1.964 106.795 108.800 -0.069 0.000 2.730 206 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.686 206 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.686 206 G C -1.930 172.644 174.900 -0.542 0.000 1.343 206 G CA -0.585 44.345 45.100 -0.284 0.000 0.826 206 G HN -0.831 7.659 8.290 -0.041 -0.225 0.582 207 V N 0.598 120.155 119.914 -0.595 0.000 2.973 207 V HA 0.743 4.863 4.120 -0.000 0.000 0.314 207 V C -0.843 174.695 176.094 -0.927 0.000 1.066 207 V CA -1.055 60.930 62.300 -0.524 0.000 1.021 207 V CB 1.592 33.247 31.823 -0.279 0.000 1.076 207 V HN 0.283 8.190 8.190 -0.472 0.000 0.462 208 Y N -1.641 118.495 120.300 -0.273 0.000 2.544 208 Y HA 0.448 4.998 4.550 -0.000 0.000 0.342 208 Y C -2.235 173.188 175.900 -0.796 0.000 1.062 208 Y CA -1.951 55.836 58.100 -0.522 0.000 1.023 208 Y CB 3.808 41.897 38.460 -0.618 0.000 1.308 208 Y HN 0.010 8.255 8.280 -0.058 0.000 0.457 209 A N -0.340 122.059 122.820 -0.702 0.000 2.374 209 A HA 0.999 5.319 4.320 -0.000 0.000 0.317 209 A C -2.384 174.754 177.584 -0.743 0.000 1.094 209 A CA -1.966 49.674 52.037 -0.662 0.000 0.765 209 A CB 2.962 21.779 19.000 -0.306 0.000 1.268 209 A HN 0.941 8.637 8.150 -0.583 0.104 0.438 210 F N -1.011 118.956 119.950 0.029 0.000 2.617 210 F HA 0.516 5.043 4.527 -0.000 0.000 0.325 210 F C -0.492 175.485 175.800 0.294 0.000 1.179 210 F CA -1.789 56.268 58.000 0.095 0.000 0.965 210 F CB 2.409 41.427 39.000 0.030 0.000 1.232 210 F HN 0.844 9.076 8.300 0.066 0.108 0.461 211 T N 5.140 119.927 114.554 0.388 0.000 2.788 211 T HA 0.461 4.811 4.350 -0.000 0.000 0.287 211 T C -1.637 173.256 174.700 0.322 0.000 1.007 211 T CA 0.715 63.003 62.100 0.315 0.000 1.005 211 T CB 0.865 69.826 68.868 0.156 0.000 1.012 211 T HN 0.759 9.171 8.240 0.287 0.000 0.530 212 L N 1.996 123.272 121.223 0.087 0.000 2.301 212 L HA 0.324 4.664 4.340 -0.000 0.000 0.278 212 L C -1.680 175.100 176.870 -0.151 0.000 1.022 212 L CA -0.851 53.837 54.840 -0.253 0.000 0.854 212 L CB 1.570 43.303 42.059 -0.543 0.000 1.226 212 L HN -0.190 8.106 8.230 0.110 0.000 0.429 213 D N 8.035 128.366 120.400 -0.115 0.000 2.416 213 D HA 0.190 4.830 4.640 -0.000 0.000 0.240 213 D C -0.612 175.605 176.300 -0.138 0.000 1.250 213 D CA -2.861 51.072 54.000 -0.113 0.000 0.967 213 D CB 0.986 41.717 40.800 -0.115 0.000 1.059 213 D HN -0.446 7.870 8.370 -0.091 0.000 0.512 214 P HA -0.209 4.211 4.420 -0.000 0.000 0.229 214 P C -0.871 176.366 177.300 -0.104 0.000 1.147 214 P CA 1.296 64.333 63.100 -0.106 0.000 0.766 214 P CB 0.106 31.756 31.700 -0.082 0.000 0.775 215 M N -2.636 116.867 119.600 -0.162 0.000 2.131 215 M HA -0.200 4.280 4.480 -0.000 0.000 0.253 215 M C 1.244 177.501 176.300 -0.071 0.000 1.107 215 M CA 3.081 58.267 55.300 -0.190 0.000 1.147 215 M CB 0.869 33.223 32.600 -0.409 0.000 1.279 215 M HN 0.166 8.547 8.290 -0.197 -0.209 0.432 216 Y N -4.414 115.863 120.300 -0.038 0.000 2.519 216 Y HA -0.028 4.522 4.550 -0.000 0.000 0.311 216 Y C 0.897 176.762 175.900 -0.058 0.000 1.207 216 Y CA -1.921 56.156 58.100 -0.038 0.000 1.289 216 Y CB -1.203 37.241 38.460 -0.027 0.000 1.059 216 Y HN -0.474 7.733 8.280 -0.338 -0.129 0.507 217 G N -1.293 107.523 108.800 0.027 0.000 2.309 217 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.286 217 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.286 217 G C -1.485 173.370 174.900 -0.075 0.000 1.002 217 G CA 0.888 45.964 45.100 -0.042 0.000 0.786 217 G HN -0.165 8.085 8.290 -0.013 0.032 0.511 218 E N -1.654 118.516 120.200 -0.049 0.000 2.367 218 E HA 0.264 4.614 4.350 -0.000 0.000 0.273 218 E C -1.158 175.409 176.600 -0.055 0.000 0.903 218 E CA -2.191 54.176 56.400 -0.056 0.000 0.764 218 E CB 4.674 34.397 29.700 0.039 0.000 1.252 218 E HN -0.877 7.442 8.360 0.003 0.043 0.446 219 F N 1.080 121.016 119.950 -0.023 0.000 2.519 219 F HA 0.003 4.530 4.527 -0.000 0.000 0.375 219 F C -0.430 175.390 175.800 0.034 0.000 1.084 219 F CA 0.999 58.999 58.000 -0.000 0.000 1.147 219 F CB 0.037 38.971 39.000 -0.110 0.000 1.088 219 F HN 0.356 8.750 8.300 0.157 0.000 0.555 220 V N 6.191 126.255 119.914 0.251 0.000 2.432 220 V HA 0.183 4.303 4.120 -0.000 0.000 0.275 220 V C -0.980 175.259 176.094 0.241 0.000 1.043 220 V CA -1.031 61.390 62.300 0.202 0.000 0.925 220 V CB 0.765 32.683 31.823 0.158 0.000 0.985 220 V HN 0.107 8.436 8.190 0.232 0.000 0.466 221 L N 9.477 130.835 121.223 0.226 0.000 2.584 221 L HA -0.138 4.202 4.340 -0.000 0.000 0.272 221 L C -0.413 176.509 176.870 0.088 0.000 1.195 221 L CA 1.583 56.550 54.840 0.212 0.000 0.920 221 L CB 0.119 42.230 42.059 0.087 0.000 1.173 221 L HN -0.188 8.153 8.230 0.186 0.000 0.489 222 T N 3.855 118.427 114.554 0.030 0.000 2.964 222 T HA 0.194 4.544 4.350 -0.000 0.000 0.250 222 T C 0.349 175.017 174.700 -0.052 0.000 0.982 222 T CA -0.072 62.032 62.100 0.006 0.000 0.959 222 T CB 0.932 69.823 68.868 0.037 0.000 1.141 222 T HN 0.359 8.595 8.240 -0.008 0.000 0.494 223 S N 3.561 119.183 115.700 -0.130 0.000 2.707 223 S HA 0.249 4.719 4.470 -0.000 0.000 0.303 223 S C -2.144 172.325 174.600 -0.217 0.000 1.132 223 S CA -0.028 58.081 58.200 -0.152 0.000 1.046 223 S CB 2.673 65.777 63.200 -0.161 0.000 1.004 223 S HN -0.382 7.813 8.310 -0.192 0.000 0.483 224 E N 5.666 125.770 120.200 -0.160 0.000 2.129 224 E HA 0.284 4.634 4.350 -0.000 0.000 0.268 224 E C -1.038 175.468 176.600 -0.155 0.000 0.900 224 E CA -0.507 55.804 56.400 -0.149 0.000 0.755 224 E CB 0.721 30.375 29.700 -0.076 0.000 1.117 224 E HN 0.271 8.563 8.360 -0.114 0.000 0.410 225 K N 2.439 122.662 120.400 -0.295 0.000 6.826 225 K HA -0.435 3.885 4.320 -0.000 0.000 0.788 225 K C -1.520 174.928 176.600 -0.253 0.000 2.287 225 K CA 1.064 57.150 56.287 -0.337 0.000 1.704 225 K CB -0.693 31.718 32.500 -0.149 0.000 2.053 225 K HN 0.239 8.245 8.250 -0.407 0.000 0.296 226 I N 2.941 123.342 120.570 -0.281 0.000 2.797 226 I HA 0.111 4.281 4.170 -0.000 0.000 0.307 226 I C -1.252 174.773 176.117 -0.155 0.000 1.033 226 I CA -1.068 60.112 61.300 -0.199 0.000 1.071 226 I CB 2.955 40.828 38.000 -0.212 0.000 1.255 226 I HN -0.281 7.711 8.210 -0.362 0.000 0.445 227 Q N 1.350 121.083 119.800 -0.113 0.000 2.275 227 Q HA 0.260 4.600 4.340 -0.000 0.000 0.258 227 Q C -1.536 174.427 176.000 -0.061 0.000 0.960 227 Q CA -1.309 54.446 55.803 -0.079 0.000 0.801 227 Q CB 2.404 31.108 28.738 -0.058 0.000 1.302 227 Q HN 0.103 8.308 8.270 -0.107 0.000 0.433 228 I N 5.095 125.635 120.570 -0.050 0.000 2.938 228 I HA 0.018 4.188 4.170 -0.000 0.000 0.285 228 I C -1.297 174.817 176.117 -0.005 0.000 1.182 228 I CA -1.605 59.676 61.300 -0.031 0.000 1.388 228 I CB -0.334 37.659 38.000 -0.012 0.000 1.390 228 I HN 0.285 8.336 8.210 -0.049 0.130 0.600 229 P HA 0.122 4.542 4.420 -0.000 0.000 0.278 229 P C -0.849 176.466 177.300 0.025 0.000 1.238 229 P CA -0.852 62.263 63.100 0.024 0.000 0.794 229 P CB 0.721 32.447 31.700 0.042 0.000 0.955 230 K N 3.050 123.464 120.400 0.024 0.000 1.984 230 K HA -0.224 4.096 4.320 -0.000 0.000 0.209 230 K C 1.480 178.103 176.600 0.039 0.000 1.046 230 K CA 2.758 59.062 56.287 0.028 0.000 0.934 230 K CB -0.015 32.500 32.500 0.025 0.000 0.717 230 K HN 0.296 8.559 8.250 0.021 0.000 0.438 231 A N -0.013 122.836 122.820 0.047 0.000 2.711 231 A HA 0.027 4.347 4.320 -0.000 0.000 0.242 231 A C -0.586 177.038 177.584 0.066 0.000 1.607 231 A CA -0.868 51.210 52.037 0.069 0.000 1.370 231 A CB -2.148 16.900 19.000 0.080 0.000 0.934 231 A HN -0.088 8.087 8.150 0.042 0.000 0.628 232 G N -0.840 107.981 108.800 0.035 0.000 2.384 232 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.289 232 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.289 232 G C -0.175 174.689 174.900 -0.059 0.000 0.823 232 G CA 0.294 45.397 45.100 0.005 0.000 1.740 232 G HN -0.007 8.236 8.290 0.033 0.067 0.422 233 K N 3.156 123.567 120.400 0.018 0.000 2.665 233 K HA -0.060 4.260 4.320 -0.000 0.000 0.214 233 K C -1.363 175.265 176.600 0.048 0.000 1.032 233 K CA -0.303 56.042 56.287 0.096 0.000 1.198 233 K CB -0.825 31.821 32.500 0.244 0.000 0.941 233 K HN -0.149 8.133 8.250 0.054 0.000 0.491 234 I N -2.205 118.321 120.570 -0.073 0.000 2.969 234 I HA 0.505 4.675 4.170 -0.000 0.000 0.307 234 I C -2.789 173.368 176.117 0.068 0.000 1.149 234 I CA -2.214 59.111 61.300 0.042 0.000 1.008 234 I CB 3.908 41.935 38.000 0.045 0.000 1.232 234 I HN -0.942 7.105 8.210 -0.126 0.087 0.435 235 Y N 2.832 123.138 120.300 0.009 0.000 2.479 235 Y HA 0.574 5.124 4.550 -0.000 0.000 0.338 235 Y C -2.988 172.971 175.900 0.099 0.000 1.055 235 Y CA -2.037 56.093 58.100 0.051 0.000 1.023 235 Y CB 3.143 41.692 38.460 0.149 0.000 1.287 235 Y HN -0.156 8.133 8.280 0.016 0.000 0.447 236 S N 2.086 117.796 115.700 0.018 0.000 2.596 236 S HA 0.318 4.788 4.470 -0.000 0.000 0.318 236 S C -1.962 172.560 174.600 -0.130 0.000 1.097 236 S CA -1.720 56.491 58.200 0.019 0.000 1.080 236 S CB 1.390 64.742 63.200 0.253 0.000 0.991 236 S HN 0.178 8.367 8.310 -0.032 0.102 0.471 237 F N 2.099 122.024 119.950 -0.041 0.000 2.596 237 F HA 0.090 4.617 4.527 -0.000 0.000 0.311 237 F C -1.154 174.425 175.800 -0.368 0.000 1.116 237 F CA -0.266 57.684 58.000 -0.084 0.000 0.957 237 F CB 4.149 43.316 39.000 0.279 0.000 1.250 237 F HN 0.067 8.389 8.300 0.037 0.000 0.444 238 N N 4.726 123.268 118.700 -0.263 0.000 2.892 238 N HA -0.115 4.625 4.740 -0.000 0.000 0.300 238 N C 1.228 176.737 175.510 -0.001 0.000 1.211 238 N CA -1.052 51.783 53.050 -0.358 0.000 1.158 238 N CB -0.877 37.511 38.487 -0.166 0.000 1.455 238 N HN 0.593 8.930 8.380 -0.072 0.000 0.524 239 E N 5.526 125.711 120.200 -0.026 0.000 2.114 239 E HA -0.365 3.985 4.350 -0.000 0.000 0.199 239 E C 1.795 178.213 176.600 -0.303 0.000 1.008 239 E CA 3.396 59.704 56.400 -0.154 0.000 0.810 239 E CB -0.220 29.433 29.700 -0.079 0.000 0.739 239 E HN 0.251 8.545 8.360 -0.053 0.034 0.456 240 G N -3.513 105.189 108.800 -0.162 0.000 2.550 240 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.222 240 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.222 240 G C 0.368 175.161 174.900 -0.179 0.000 1.113 240 G CA 1.836 46.855 45.100 -0.135 0.000 0.748 240 G HN 0.455 8.674 8.290 -0.100 0.011 0.585 241 N N -0.099 118.460 118.700 -0.234 0.000 2.575 241 N HA -0.042 4.698 4.740 -0.000 0.000 0.275 241 N C 0.099 175.209 175.510 -0.666 0.000 1.202 241 N CA -1.792 51.111 53.050 -0.245 0.000 0.945 241 N CB -1.051 37.417 38.487 -0.031 0.000 1.247 241 N HN -0.588 7.655 8.380 -0.196 0.020 0.510 242 Y N 3.416 123.166 120.300 -0.917 0.000 1.979 242 Y HA -0.570 3.980 4.550 -0.000 0.000 0.262 242 Y C 1.364 176.917 175.900 -0.578 0.000 1.142 242 Y CA 4.055 61.514 58.100 -1.067 0.000 1.096 242 Y CB -0.141 37.950 38.460 -0.616 0.000 0.958 242 Y HN -0.404 7.506 8.280 -0.419 0.118 0.484 243 K N -1.790 118.419 120.400 -0.319 0.000 2.071 243 K HA -0.468 3.852 4.320 -0.000 0.000 0.217 243 K C 2.156 178.648 176.600 -0.179 0.000 1.054 243 K CA 2.986 59.130 56.287 -0.239 0.000 0.937 243 K CB -1.497 30.945 32.500 -0.096 0.000 0.719 243 K HN 0.230 8.410 8.250 -0.116 0.000 0.454 244 M N -2.776 116.751 119.600 -0.121 0.000 2.153 244 M HA -0.315 4.165 4.480 -0.000 0.000 0.253 244 M C 1.368 177.763 176.300 0.158 0.000 1.081 244 M CA 2.310 57.628 55.300 0.031 0.000 1.076 244 M CB -0.855 31.797 32.600 0.086 0.000 1.350 244 M HN -0.639 7.536 8.290 -0.174 0.011 0.401 245 W N -0.447 120.755 121.300 -0.163 0.000 2.231 245 W HA -0.025 4.635 4.660 -0.000 0.000 0.341 245 W C -1.227 175.192 176.519 -0.166 0.000 1.298 245 W CA -2.457 54.781 57.345 -0.179 0.000 1.266 245 W CB -2.089 27.209 29.460 -0.270 0.000 1.172 245 W HN -0.082 7.943 8.180 -0.025 0.140 0.568 246 P HA -0.024 4.396 4.420 -0.000 0.000 0.274 246 P C 0.417 177.723 177.300 0.011 0.000 1.237 246 P CA -0.654 62.463 63.100 0.029 0.000 0.793 246 P CB 1.160 32.873 31.700 0.022 0.000 0.977 247 D N 1.634 122.038 120.400 0.006 0.000 2.303 247 D HA -0.417 4.223 4.640 -0.000 0.000 0.190 247 D C 1.856 178.176 176.300 0.033 0.000 1.011 247 D CA 4.480 58.485 54.000 0.009 0.000 0.860 247 D CB 0.147 40.956 40.800 0.015 0.000 0.961 247 D HN 0.401 8.776 8.370 0.008 0.000 0.453 248 K N -2.488 117.943 120.400 0.051 0.000 2.147 248 K HA -0.204 4.116 4.320 -0.000 0.000 0.205 248 K C 2.337 178.995 176.600 0.097 0.000 1.049 248 K CA 2.121 58.473 56.287 0.108 0.000 0.936 248 K CB -0.541 32.037 32.500 0.130 0.000 0.722 248 K HN 0.161 8.418 8.250 0.037 0.015 0.446 249 L N -0.657 120.571 121.223 0.008 0.000 2.023 249 L HA -0.267 4.073 4.340 -0.000 0.000 0.205 249 L C 0.997 177.904 176.870 0.062 0.000 1.073 249 L CA 2.907 57.719 54.840 -0.046 0.000 0.745 249 L CB -0.238 41.717 42.059 -0.173 0.000 0.900 249 L HN -0.170 8.059 8.230 -0.002 0.000 0.435 250 K N -2.285 118.153 120.400 0.064 0.000 2.173 250 K HA -0.467 3.853 4.320 -0.000 0.000 0.207 250 K C 2.162 178.860 176.600 0.163 0.000 1.046 250 K CA 3.313 59.632 56.287 0.054 0.000 0.929 250 K CB -0.783 31.540 32.500 -0.295 0.000 0.720 250 K HN -0.399 7.866 8.250 0.025 0.000 0.453 251 K N -1.195 119.286 120.400 0.136 0.000 2.062 251 K HA -0.290 4.030 4.320 -0.000 0.000 0.205 251 K C 2.509 179.213 176.600 0.174 0.000 1.051 251 K CA 2.946 59.327 56.287 0.156 0.000 0.941 251 K CB -0.241 32.364 32.500 0.174 0.000 0.719 251 K HN -0.675 7.618 8.250 0.116 0.026 0.440 252 Y N 1.070 121.395 120.300 0.041 0.000 2.207 252 Y HA -0.352 4.198 4.550 -0.000 0.000 0.287 252 Y C 1.584 177.428 175.900 -0.093 0.000 1.156 252 Y CA 2.328 60.381 58.100 -0.077 0.000 1.182 252 Y CB -0.527 37.665 38.460 -0.446 0.000 0.979 252 Y HN -0.817 7.619 8.280 0.261 0.000 0.521 253 M N -0.099 119.316 119.600 -0.309 0.000 2.062 253 M HA -0.447 4.033 4.480 -0.000 0.000 0.259 253 M C 1.718 177.880 176.300 -0.230 0.000 1.076 253 M CA 2.804 57.891 55.300 -0.356 0.000 1.122 253 M CB -0.422 32.234 32.600 0.093 0.000 1.312 253 M HN 0.084 8.248 8.290 -0.054 0.094 0.412 254 D N -1.558 118.815 120.400 -0.046 0.000 2.228 254 D HA -0.413 4.227 4.640 -0.000 0.000 0.203 254 D C 2.033 178.285 176.300 -0.080 0.000 0.988 254 D CA 3.817 57.784 54.000 -0.056 0.000 0.864 254 D CB -0.173 40.637 40.800 0.015 0.000 0.928 254 D HN -0.296 8.119 8.370 0.075 0.000 0.469 255 D N 0.181 120.537 120.400 -0.074 0.000 2.077 255 D HA -0.257 4.383 4.640 -0.000 0.000 0.193 255 D C 2.846 179.078 176.300 -0.112 0.000 0.989 255 D CA 3.441 57.415 54.000 -0.044 0.000 0.831 255 D CB 0.057 40.904 40.800 0.077 0.000 0.979 255 D HN -0.452 7.775 8.370 -0.058 0.108 0.449 256 L N -1.495 119.584 121.223 -0.240 0.000 2.189 256 L HA -0.423 3.917 4.340 -0.000 0.000 0.214 256 L C 1.757 178.528 176.870 -0.165 0.000 1.097 256 L CA 2.621 57.358 54.840 -0.172 0.000 0.764 256 L CB -0.400 41.409 42.059 -0.416 0.000 0.900 256 L HN 0.171 8.160 8.230 -0.401 0.000 0.436 257 K N -1.334 118.957 120.400 -0.181 0.000 2.044 257 K HA -0.168 4.152 4.320 -0.000 0.000 0.204 257 K C 1.020 177.572 176.600 -0.081 0.000 1.045 257 K CA 2.129 58.360 56.287 -0.093 0.000 0.951 257 K CB 0.179 32.628 32.500 -0.085 0.000 0.738 257 K HN -0.667 7.320 8.250 -0.216 0.134 0.443 258 E N 0.841 120.994 120.200 -0.079 0.000 1.791 258 E HA 0.158 4.508 4.350 -0.000 0.000 0.263 258 E C -2.039 174.514 176.600 -0.078 0.000 1.213 258 E CA -2.233 54.130 56.400 -0.061 0.000 0.991 258 E CB -0.595 29.081 29.700 -0.041 0.000 1.068 258 E HN -0.189 7.932 8.360 -0.086 0.187 0.417 259 P HA -0.213 4.207 4.420 -0.000 0.000 0.237 259 P C 0.128 177.373 177.300 -0.092 0.000 1.149 259 P CA 0.200 63.215 63.100 -0.141 0.000 1.254 259 P CB -0.621 30.996 31.700 -0.139 0.000 1.382 260 G N 5.514 114.272 108.800 -0.070 0.000 3.982 260 G HA2 -0.556 3.404 3.960 -0.000 0.000 0.261 260 G HA3 -0.556 3.404 3.960 -0.000 0.000 0.261 260 G C 0.456 175.338 174.900 -0.029 0.000 0.858 260 G CA 1.833 46.915 45.100 -0.031 0.000 0.716 260 G HN -0.144 8.080 8.290 -0.080 0.018 1.446 261 E N 2.103 122.289 120.200 -0.024 0.000 2.333 261 E HA -0.231 4.119 4.350 -0.000 0.000 0.200 261 E C 0.134 176.719 176.600 -0.025 0.000 1.010 261 E CA 0.519 56.907 56.400 -0.020 0.000 0.841 261 E CB 0.084 29.776 29.700 -0.013 0.000 0.757 261 E HN -0.074 8.273 8.360 -0.023 0.000 0.508 262 S N -1.732 113.946 115.700 -0.036 0.000 4.231 262 S HA -0.266 4.204 4.470 -0.000 0.000 0.464 262 S C -1.615 172.962 174.600 -0.038 0.000 0.821 262 S CA 0.769 58.947 58.200 -0.036 0.000 1.138 262 S CB -1.279 61.905 63.200 -0.025 0.000 0.718 262 S HN -0.205 8.012 8.310 -0.047 0.066 0.617 263 Q N 1.053 120.821 119.800 -0.054 0.000 2.078 263 Q HA 0.195 4.535 4.340 -0.000 0.000 0.183 263 Q C -1.225 174.737 176.000 -0.063 0.000 0.636 263 Q CA 0.256 56.030 55.803 -0.050 0.000 0.587 263 Q CB 2.151 30.862 28.738 -0.046 0.000 2.225 263 Q HN -0.138 8.090 8.270 -0.070 0.000 0.274 264 K N 2.225 122.570 120.400 -0.091 0.000 2.274 264 K HA 0.437 4.757 4.320 -0.000 0.000 0.262 264 K C -2.301 174.184 176.600 -0.192 0.000 0.961 264 K CA -2.166 54.065 56.287 -0.094 0.000 0.833 264 K CB 1.669 34.142 32.500 -0.045 0.000 1.102 264 K HN 0.343 8.531 8.250 -0.104 0.000 0.436 265 P HA 0.236 4.656 4.420 -0.000 0.000 0.276 265 P C -1.542 175.736 177.300 -0.036 0.000 1.252 265 P CA -0.362 62.660 63.100 -0.130 0.000 0.802 265 P CB 0.813 32.498 31.700 -0.025 0.000 1.035 266 Y N -0.245 120.124 120.300 0.115 0.000 2.367 266 Y HA 0.136 4.686 4.550 -0.000 0.000 0.342 266 Y C -0.153 175.927 175.900 0.301 0.000 0.979 266 Y CA -1.194 57.039 58.100 0.221 0.000 1.161 266 Y CB 0.000 38.610 38.460 0.251 0.000 1.155 266 Y HN -0.426 7.878 8.280 0.039 0.000 0.503 267 S N 3.721 119.621 115.700 0.333 0.000 2.624 267 S HA 0.212 4.682 4.470 -0.000 0.000 0.263 267 S C -1.088 173.505 174.600 -0.011 0.000 1.287 267 S CA -0.095 58.200 58.200 0.158 0.000 0.990 267 S CB 1.071 64.321 63.200 0.083 0.000 0.950 267 S HN 0.398 8.898 8.310 0.316 0.000 0.561 268 S N 0.193 115.813 115.700 -0.134 0.000 2.566 268 S HA 0.798 5.268 4.470 -0.000 0.000 0.298 268 S C -1.402 173.116 174.600 -0.136 0.000 1.083 268 S CA -0.998 57.001 58.200 -0.336 0.000 0.978 268 S CB 1.776 64.777 63.200 -0.332 0.000 1.073 268 S HN 0.032 8.314 8.310 -0.046 0.000 0.491 269 R N 0.563 120.999 120.500 -0.106 0.000 2.633 269 R HA 0.163 4.503 4.340 -0.000 0.000 0.256 269 R C -2.835 173.535 176.300 0.115 0.000 1.131 269 R CA -0.140 55.967 56.100 0.012 0.000 0.994 269 R CB 1.734 32.041 30.300 0.011 0.000 1.261 269 R HN 0.301 8.464 8.270 -0.178 0.000 0.446 270 Y N 2.702 122.997 120.300 -0.009 0.000 2.287 270 Y HA 0.277 4.827 4.550 -0.000 0.000 0.321 270 Y C -1.915 174.010 175.900 0.041 0.000 1.173 270 Y CA -0.058 58.066 58.100 0.040 0.000 1.124 270 Y CB 1.513 40.013 38.460 0.067 0.000 1.201 270 Y HN -0.005 8.374 8.280 0.165 0.000 0.421 271 I N 5.547 125.962 120.570 -0.259 0.000 2.852 271 I HA 0.108 4.278 4.170 -0.000 0.000 0.264 271 I C 0.318 176.219 176.117 -0.361 0.000 1.179 271 I CA 0.293 61.454 61.300 -0.231 0.000 1.480 271 I CB 0.424 38.339 38.000 -0.143 0.000 1.111 271 I HN -0.064 8.247 8.210 -0.181 -0.210 0.441 272 G N -2.883 105.491 108.800 -0.709 0.000 2.175 272 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.182 272 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.182 272 G C -1.328 173.424 174.900 -0.247 0.000 1.003 272 G CA -0.384 44.398 45.100 -0.530 0.000 0.666 272 G HN -0.452 7.381 8.290 -1.021 -0.155 0.506 273 S N -1.387 114.180 115.700 -0.222 0.000 2.546 273 S HA 0.256 4.726 4.470 -0.000 0.000 0.272 273 S C -0.123 174.384 174.600 -0.155 0.000 1.140 273 S CA -0.961 57.166 58.200 -0.121 0.000 0.920 273 S CB 3.073 66.208 63.200 -0.108 0.000 1.083 273 S HN -0.934 7.292 8.310 -0.293 -0.091 0.476 274 L N 5.161 126.316 121.223 -0.113 0.000 1.965 274 L HA -0.390 3.950 4.340 -0.000 0.000 0.226 274 L C 1.069 177.767 176.870 -0.287 0.000 1.083 274 L CA 3.448 58.167 54.840 -0.201 0.000 0.790 274 L CB -0.298 41.684 42.059 -0.130 0.000 0.898 274 L HN 0.557 8.752 8.230 -0.058 0.000 0.439 275 V N -2.458 117.295 119.914 -0.268 0.000 2.231 275 V HA -0.554 3.566 4.120 -0.000 0.000 0.250 275 V C 2.066 177.975 176.094 -0.308 0.000 1.058 275 V CA 4.373 66.448 62.300 -0.375 0.000 1.022 275 V CB -1.250 30.350 31.823 -0.372 0.000 0.640 275 V HN -0.596 7.648 8.190 -0.226 -0.189 0.445 276 G N -2.169 106.500 108.800 -0.217 0.000 2.491 276 G HA2 -0.505 3.455 3.960 -0.000 0.000 0.218 276 G HA3 -0.505 3.455 3.960 -0.000 0.000 0.218 276 G C 0.860 175.660 174.900 -0.166 0.000 1.180 276 G CA 2.359 47.372 45.100 -0.146 0.000 0.774 276 G HN -0.098 8.070 8.290 -0.203 0.000 0.562 277 D N 2.196 122.444 120.400 -0.252 0.000 2.144 277 D HA -0.230 4.410 4.640 -0.000 0.000 0.199 277 D C 2.444 178.565 176.300 -0.297 0.000 0.984 277 D CA 3.303 57.129 54.000 -0.290 0.000 0.834 277 D CB -0.041 40.444 40.800 -0.525 0.000 0.955 277 D HN -0.305 7.899 8.370 -0.278 0.000 0.465 278 F N 0.302 119.930 119.950 -0.537 0.000 2.456 278 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 278 F C 0.923 176.585 175.800 -0.231 0.000 1.104 278 F CA 1.104 58.856 58.000 -0.413 0.000 1.435 278 F CB 0.180 38.897 39.000 -0.472 0.000 1.078 278 F HN 0.201 8.303 8.300 -0.317 0.008 0.546 279 H N 1.327 120.082 119.070 -0.526 0.000 2.333 279 H HA -0.335 4.221 4.556 -0.000 0.000 0.302 279 H C 1.744 176.843 175.328 -0.381 0.000 1.075 279 H CA 4.046 59.797 56.048 -0.496 0.000 1.348 279 H CB 0.623 30.215 29.762 -0.282 0.000 1.393 279 H HN 0.187 8.198 8.280 -0.220 0.138 0.509 280 R N -1.957 118.315 120.500 -0.380 0.000 2.189 280 R HA -0.237 4.103 4.340 -0.000 0.000 0.223 280 R C 2.342 178.504 176.300 -0.231 0.000 1.092 280 R CA 3.123 59.014 56.100 -0.348 0.000 0.989 280 R CB -0.153 30.099 30.300 -0.080 0.000 0.876 280 R HN -0.505 7.633 8.270 -0.219 0.000 0.457 281 T N 0.868 115.313 114.554 -0.181 0.000 2.951 281 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 281 T C 0.672 175.297 174.700 -0.124 0.000 1.073 281 T CA 3.618 65.682 62.100 -0.059 0.000 1.134 281 T CB -0.453 68.470 68.868 0.093 0.000 0.884 281 T HN -0.583 7.529 8.240 -0.188 0.016 0.479 282 L N -1.273 119.746 121.223 -0.340 0.000 2.004 282 L HA -0.057 4.283 4.340 -0.000 0.000 0.205 282 L C 1.000 177.697 176.870 -0.289 0.000 1.089 282 L CA 1.845 56.491 54.840 -0.324 0.000 0.756 282 L CB 0.026 41.813 42.059 -0.454 0.000 0.900 282 L HN -0.866 6.935 8.230 -0.476 0.143 0.440 283 L N -3.839 117.101 121.223 -0.471 0.000 1.989 283 L HA -0.319 4.021 4.340 -0.000 0.000 0.211 283 L C 0.498 177.198 176.870 -0.283 0.000 1.071 283 L CA 3.445 57.990 54.840 -0.492 0.000 0.749 283 L CB 0.425 41.961 42.059 -0.871 0.000 0.890 283 L HN -0.710 7.143 8.230 -0.629 0.000 0.431 284 Y N -3.930 116.272 120.300 -0.163 0.000 2.376 284 Y HA 0.101 4.651 4.550 -0.000 0.000 0.325 284 Y C 0.478 176.332 175.900 -0.077 0.000 1.199 284 Y CA -2.006 56.033 58.100 -0.103 0.000 1.206 284 Y CB 0.940 39.341 38.460 -0.097 0.000 1.229 284 Y HN -0.749 7.221 8.280 -0.516 0.000 0.480 285 G N -0.165 108.709 108.800 0.123 0.000 2.570 285 G HA2 0.255 4.215 3.960 -0.000 0.000 0.276 285 G HA3 0.255 4.215 3.960 -0.000 0.000 0.276 285 G C -1.712 173.217 174.900 0.049 0.000 1.346 285 G CA -0.455 44.681 45.100 0.061 0.000 1.034 285 G HN 0.047 8.421 8.290 0.140 0.000 0.512 286 G N -1.583 107.233 108.800 0.026 0.000 2.306 286 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.262 286 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.262 286 G C -2.735 172.186 174.900 0.034 0.000 1.263 286 G CA -0.549 44.556 45.100 0.009 0.000 1.088 286 G HN -0.323 7.982 8.290 0.024 0.000 0.489 287 I N -0.757 119.844 120.570 0.052 0.000 2.913 287 I HA 0.941 5.111 4.170 -0.000 0.000 0.302 287 I C -2.983 173.129 176.117 -0.009 0.000 1.246 287 I CA -2.361 58.972 61.300 0.055 0.000 1.010 287 I CB 3.882 41.941 38.000 0.099 0.000 1.259 287 I HN -0.284 7.959 8.210 0.055 0.000 0.434 288 Y N 5.499 125.671 120.300 -0.214 0.000 2.513 288 Y HA 0.678 5.228 4.550 -0.000 0.000 0.340 288 Y C -2.859 172.820 175.900 -0.368 0.000 1.055 288 Y CA -1.342 56.563 58.100 -0.325 0.000 1.020 288 Y CB 4.168 42.572 38.460 -0.093 0.000 1.301 288 Y HN 0.062 8.367 8.280 0.041 0.000 0.453 289 G N 3.363 111.398 108.800 -1.276 0.000 2.623 289 G HA2 0.323 4.283 3.960 -0.000 0.000 0.290 289 G HA3 0.323 4.283 3.960 -0.000 0.000 0.290 289 G C -3.626 170.893 174.900 -0.636 0.000 1.437 289 G CA 0.126 44.759 45.100 -0.778 0.000 0.798 289 G HN -0.368 6.999 8.290 -1.539 0.000 0.488 290 Y N -0.098 119.876 120.300 -0.544 0.000 2.592 290 Y HA 0.354 4.904 4.550 -0.000 0.000 0.354 290 Y C -1.836 173.872 175.900 -0.319 0.000 1.063 290 Y CA -3.161 54.746 58.100 -0.322 0.000 1.205 290 Y CB 2.848 41.163 38.460 -0.243 0.000 1.106 290 Y HN 0.038 7.980 8.280 -0.564 0.000 0.649 291 P HA -0.140 4.280 4.420 -0.000 0.000 0.266 291 P C -1.022 176.231 177.300 -0.079 0.000 1.193 291 P CA -0.036 62.971 63.100 -0.155 0.000 0.770 291 P CB 0.616 32.064 31.700 -0.420 0.000 0.836 292 R N 2.431 122.911 120.500 -0.034 0.000 2.387 292 R HA -0.156 4.184 4.340 -0.000 0.000 0.321 292 R C -0.555 175.747 176.300 0.003 0.000 1.174 292 R CA 0.602 56.694 56.100 -0.012 0.000 1.002 292 R CB -0.948 29.328 30.300 -0.040 0.000 1.028 292 R HN 0.146 8.417 8.270 0.001 0.000 0.482 293 D N 0.340 120.768 120.400 0.046 0.000 2.627 293 D HA 0.279 4.919 4.640 -0.000 0.000 0.259 293 D C 0.048 176.402 176.300 0.089 0.000 1.164 293 D CA -1.477 52.578 54.000 0.090 0.000 1.087 293 D CB 1.733 42.651 40.800 0.196 0.000 1.217 293 D HN -0.594 7.820 8.370 0.074 0.000 0.630 294 A N -3.143 119.734 122.820 0.096 0.000 2.054 294 A HA -0.275 4.045 4.320 -0.000 0.000 0.223 294 A C 1.651 179.273 177.584 0.064 0.000 1.169 294 A CA 2.519 54.597 52.037 0.069 0.000 0.655 294 A CB -0.217 18.819 19.000 0.060 0.000 0.812 294 A HN 0.172 8.395 8.150 0.121 0.000 0.462 295 K N -2.031 118.419 120.400 0.083 0.000 3.233 295 K HA -0.133 4.187 4.320 -0.000 0.000 0.283 295 K C -0.836 175.798 176.600 0.056 0.000 1.209 295 K CA -1.428 54.904 56.287 0.075 0.000 1.197 295 K CB -2.080 30.484 32.500 0.106 0.000 1.431 295 K HN -0.534 7.985 8.250 0.106 -0.205 0.326 296 S N 0.023 115.749 115.700 0.043 0.000 3.392 296 S HA -0.405 4.065 4.470 -0.000 0.000 0.856 296 S C -0.924 173.690 174.600 0.023 0.000 1.165 296 S CA 0.861 59.078 58.200 0.029 0.000 0.983 296 S CB 0.819 64.031 63.200 0.020 0.000 0.672 296 S HN 0.416 8.647 8.310 0.043 0.105 0.271 297 K N 4.395 124.803 120.400 0.013 0.000 1.799 297 K HA -0.258 4.062 4.320 -0.000 0.000 0.215 297 K C -0.454 176.133 176.600 -0.022 0.000 1.147 297 K CA 1.422 57.707 56.287 -0.004 0.000 1.360 297 K CB -2.188 30.309 32.500 -0.005 0.000 0.959 297 K HN 0.499 8.759 8.250 0.016 0.000 0.292 298 N N -0.182 118.509 118.700 -0.015 0.000 2.636 298 N HA 0.114 4.854 4.740 -0.000 0.000 0.356 298 N C -1.087 174.416 175.510 -0.012 0.000 0.580 298 N CA -0.064 52.968 53.050 -0.029 0.000 1.588 298 N CB 1.058 39.532 38.487 -0.023 0.000 1.421 298 N HN 0.329 8.697 8.380 0.005 0.015 1.781 299 G N 1.024 109.843 108.800 0.033 0.000 2.255 299 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 299 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 299 G C -1.456 173.434 174.900 -0.016 0.000 1.307 299 G CA -0.103 45.066 45.100 0.115 0.000 1.162 299 G HN -0.559 7.752 8.290 0.035 0.000 0.494 300 K N 0.067 120.272 120.400 -0.324 0.000 2.440 300 K HA 0.208 4.528 4.320 -0.000 0.000 0.207 300 K C -1.324 175.034 176.600 -0.404 0.000 1.112 300 K CA -0.344 55.679 56.287 -0.439 0.000 1.036 300 K CB 1.413 33.487 32.500 -0.710 0.000 0.935 300 K HN 0.197 8.159 8.250 -0.479 0.000 0.564 301 L N -0.208 120.789 121.223 -0.377 0.000 2.282 301 L HA 0.215 4.555 4.340 -0.000 0.000 0.288 301 L C -0.484 176.302 176.870 -0.140 0.000 1.033 301 L CA -1.576 53.125 54.840 -0.231 0.000 0.807 301 L CB 0.905 42.836 42.059 -0.213 0.000 1.209 301 L HN -0.459 7.538 8.230 -0.388 0.000 0.423 302 R N 1.145 121.593 120.500 -0.086 0.000 2.707 302 R HA -0.026 4.314 4.340 -0.000 0.000 0.270 302 R C 0.236 176.443 176.300 -0.155 0.000 1.083 302 R CA 0.633 56.677 56.100 -0.093 0.000 1.182 302 R CB 0.475 30.758 30.300 -0.028 0.000 1.084 302 R HN 0.445 8.680 8.270 -0.058 0.000 0.528 303 L N 1.757 122.852 121.223 -0.213 0.000 1.995 303 L HA -0.142 4.198 4.340 -0.000 0.000 0.206 303 L C 0.849 177.581 176.870 -0.231 0.000 1.098 303 L CA 2.963 57.682 54.840 -0.202 0.000 0.762 303 L CB -0.143 41.808 42.059 -0.181 0.000 0.900 303 L HN -0.208 7.804 8.230 -0.211 0.092 0.441 304 L N -2.839 118.178 121.223 -0.344 0.000 1.997 304 L HA -0.465 3.875 4.340 -0.000 0.000 0.216 304 L C 2.210 179.024 176.870 -0.093 0.000 1.074 304 L CA 4.014 58.706 54.840 -0.247 0.000 0.763 304 L CB -0.587 41.283 42.059 -0.314 0.000 0.890 304 L HN 0.069 8.061 8.230 -0.397 0.000 0.434 305 Y N -4.104 116.193 120.300 -0.005 0.000 2.387 305 Y HA -0.329 4.221 4.550 -0.000 0.000 0.234 305 Y C 1.863 177.725 175.900 -0.063 0.000 1.007 305 Y CA 1.400 59.480 58.100 -0.034 0.000 1.012 305 Y CB -1.307 37.121 38.460 -0.054 0.000 1.017 305 Y HN -0.449 7.248 8.280 -0.973 0.000 0.486 306 E N -2.447 117.793 120.200 0.066 0.000 2.110 306 E HA -0.293 4.057 4.350 -0.000 0.000 0.193 306 E C 1.571 178.114 176.600 -0.096 0.000 0.988 306 E CA 2.329 58.705 56.400 -0.041 0.000 0.804 306 E CB -0.402 29.259 29.700 -0.065 0.000 0.745 306 E HN 0.006 8.441 8.360 0.124 0.000 0.458 307 C N -0.285 118.955 119.300 -0.099 0.000 2.492 307 C HA 0.020 4.480 4.460 -0.000 0.000 0.279 307 C C 2.015 176.951 174.990 -0.090 0.000 1.335 307 C CA 3.023 61.969 59.018 -0.120 0.000 1.734 307 C CB -1.491 26.174 27.740 -0.125 0.000 2.027 307 C HN -0.388 7.786 8.230 -0.093 0.000 0.496 308 A N 0.338 123.123 122.820 -0.059 0.000 1.865 308 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 308 A C -1.311 176.290 177.584 0.028 0.000 1.191 308 A CA 4.806 56.829 52.037 -0.023 0.000 0.623 308 A CB -2.628 16.358 19.000 -0.023 0.000 0.826 308 A HN 0.509 8.619 8.150 -0.067 0.000 0.444 309 P HA -0.226 4.194 4.420 -0.000 0.000 0.213 309 P C 1.596 178.933 177.300 0.062 0.000 1.170 309 P CA 2.784 65.920 63.100 0.060 0.000 0.898 309 P CB -0.319 31.381 31.700 -0.000 0.000 0.787 310 M N -3.890 115.677 119.600 -0.056 0.000 2.143 310 M HA -0.389 4.091 4.480 -0.000 0.000 0.258 310 M C 2.468 178.673 176.300 -0.159 0.000 1.071 310 M CA 2.986 58.156 55.300 -0.216 0.000 1.088 310 M CB -1.001 31.246 32.600 -0.588 0.000 1.360 310 M HN -0.454 7.782 8.290 -0.091 0.000 0.404 311 S N -0.637 115.022 115.700 -0.068 0.000 2.428 311 S HA -0.216 4.254 4.470 -0.000 0.000 0.230 311 S C 1.922 176.590 174.600 0.114 0.000 1.014 311 S CA 2.447 60.647 58.200 -0.000 0.000 0.957 311 S CB -0.203 63.008 63.200 0.018 0.000 0.784 311 S HN -0.336 7.923 8.310 -0.070 0.010 0.499 312 F N 3.288 123.232 119.950 -0.011 0.000 2.293 312 F HA -0.167 4.360 4.527 -0.000 0.000 0.297 312 F C 1.040 176.863 175.800 0.038 0.000 1.089 312 F CA 2.718 60.729 58.000 0.018 0.000 1.377 312 F CB 0.349 39.366 39.000 0.028 0.000 1.051 312 F HN -0.297 8.027 8.300 0.252 0.127 0.511 313 I N -1.032 119.604 120.570 0.110 0.000 2.202 313 I HA -0.520 3.650 4.170 -0.000 0.000 0.242 313 I C 1.672 177.804 176.117 0.025 0.000 1.091 313 I CA 4.078 65.422 61.300 0.074 0.000 1.368 313 I CB -0.062 38.077 38.000 0.232 0.000 1.058 313 I HN -0.310 8.010 8.210 0.184 0.000 0.410 314 V N -3.186 116.783 119.914 0.091 0.000 2.343 314 V HA -0.459 3.661 4.120 -0.000 0.000 0.247 314 V C 1.844 177.914 176.094 -0.040 0.000 1.051 314 V CA 4.068 66.404 62.300 0.061 0.000 1.036 314 V CB -1.148 30.740 31.823 0.108 0.000 0.654 314 V HN -0.661 7.616 8.190 0.146 0.000 0.451 315 E N -0.268 119.870 120.200 -0.103 0.000 2.086 315 E HA -0.415 3.935 4.350 -0.000 0.000 0.200 315 E C 2.640 179.144 176.600 -0.159 0.000 1.012 315 E CA 3.449 59.764 56.400 -0.142 0.000 0.812 315 E CB -0.564 28.992 29.700 -0.239 0.000 0.743 315 E HN -0.348 7.955 8.360 -0.094 0.000 0.453 316 Q N -3.466 116.201 119.800 -0.222 0.000 2.311 316 Q HA -0.169 4.171 4.340 -0.000 0.000 0.203 316 Q C 0.376 176.292 176.000 -0.140 0.000 0.954 316 Q CA 1.670 57.359 55.803 -0.190 0.000 0.885 316 Q CB 0.102 28.701 28.738 -0.232 0.000 0.963 316 Q HN -0.377 7.720 8.270 -0.276 0.008 0.471 317 A N -2.444 120.312 122.820 -0.107 0.000 2.579 317 A HA 0.199 4.519 4.320 -0.000 0.000 0.273 317 A C 0.217 177.765 177.584 -0.059 0.000 1.363 317 A CA -0.846 51.139 52.037 -0.088 0.000 0.953 317 A CB -1.209 17.757 19.000 -0.057 0.000 1.034 317 A HN -0.802 7.111 8.150 -0.095 0.180 0.536 318 G N -1.593 107.170 108.800 -0.062 0.000 2.402 318 G HA2 -0.471 3.489 3.960 -0.000 0.000 0.300 318 G HA3 -0.471 3.489 3.960 -0.000 0.000 0.300 318 G C -0.487 174.402 174.900 -0.019 0.000 0.987 318 G CA 0.734 45.810 45.100 -0.040 0.000 0.881 318 G HN -0.096 8.037 8.290 -0.080 0.108 0.512 319 G N -1.147 107.646 108.800 -0.012 0.000 3.119 319 G HA2 0.716 4.676 3.960 -0.000 0.000 0.206 319 G HA3 0.716 4.676 3.960 -0.000 0.000 0.206 319 G C -2.758 172.149 174.900 0.012 0.000 1.313 319 G CA -1.268 43.840 45.100 0.014 0.000 1.010 319 G HN -0.077 8.165 8.290 -0.026 0.033 0.578 320 K N -1.045 119.372 120.400 0.028 0.000 2.572 320 K HA 0.187 4.507 4.320 -0.000 0.000 0.263 320 K C -1.854 174.765 176.600 0.032 0.000 0.932 320 K CA -0.494 55.807 56.287 0.023 0.000 0.838 320 K CB 4.251 36.764 32.500 0.022 0.000 1.366 320 K HN 0.260 8.536 8.250 0.044 0.000 0.425 321 G N 2.539 111.356 108.800 0.027 0.000 2.478 321 G HA2 0.637 4.597 3.960 -0.000 0.000 0.317 321 G HA3 0.637 4.597 3.960 -0.000 0.000 0.317 321 G C -2.108 172.814 174.900 0.037 0.000 1.259 321 G CA -0.821 44.291 45.100 0.021 0.000 0.933 321 G HN -0.115 8.329 8.290 0.026 -0.139 0.478 322 S N 2.668 118.407 115.700 0.065 0.000 2.548 322 S HA 0.560 5.030 4.470 -0.000 0.000 0.286 322 S C -1.268 173.415 174.600 0.139 0.000 1.098 322 S CA -1.695 56.564 58.200 0.099 0.000 0.930 322 S CB 3.281 66.548 63.200 0.112 0.000 1.070 322 S HN 0.445 8.799 8.310 0.073 0.000 0.480 323 D N 3.564 124.032 120.400 0.114 0.000 2.327 323 D HA 0.099 4.739 4.640 -0.000 0.000 0.205 323 D C 0.468 176.918 176.300 0.251 0.000 0.989 323 D CA -0.139 53.896 54.000 0.060 0.000 0.873 323 D CB 2.201 42.991 40.800 -0.016 0.000 0.955 323 D HN 0.207 8.633 8.370 0.093 0.000 0.515 324 G N -1.137 107.842 108.800 0.300 0.000 3.736 324 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.196 324 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.196 324 G C -0.549 174.499 174.900 0.247 0.000 1.811 324 G CA -0.084 45.172 45.100 0.260 0.000 1.175 324 G HN -0.834 7.583 8.290 0.213 0.000 0.429 325 H N 1.968 121.066 119.070 0.046 0.000 2.372 325 H HA -0.041 4.515 4.556 -0.000 0.000 0.301 325 H C 0.517 175.852 175.328 0.012 0.000 1.065 325 H CA 1.409 57.467 56.048 0.017 0.000 1.364 325 H CB 1.131 30.902 29.762 0.014 0.000 1.406 325 H HN 0.128 8.741 8.280 0.199 -0.214 0.521 326 Q N -5.251 114.634 119.800 0.142 0.000 2.831 326 Q HA 0.406 4.746 4.340 -0.000 0.000 0.322 326 Q C -1.946 174.089 176.000 0.058 0.000 0.923 326 Q CA -1.930 53.918 55.803 0.074 0.000 0.767 326 Q CB 2.645 31.417 28.738 0.057 0.000 1.469 326 Q HN -0.353 8.314 8.270 0.144 -0.311 0.496 327 R N 0.563 121.088 120.500 0.041 0.000 2.267 327 R HA 0.158 4.498 4.340 -0.000 0.000 0.319 327 R C 1.497 177.811 176.300 0.023 0.000 1.067 327 R CA 0.093 56.215 56.100 0.036 0.000 0.936 327 R CB 0.145 30.467 30.300 0.036 0.000 1.006 327 R HN 0.503 8.794 8.270 0.036 0.000 0.452 328 I N 5.061 125.639 120.570 0.014 0.000 2.087 328 I HA -0.532 3.638 4.170 -0.000 0.000 0.240 328 I C 1.425 177.537 176.117 -0.009 0.000 1.054 328 I CA 3.805 65.098 61.300 -0.012 0.000 1.311 328 I CB -0.122 37.858 38.000 -0.033 0.000 1.024 328 I HN 0.748 8.970 8.210 0.020 0.000 0.402 329 L N -6.246 114.991 121.223 0.022 0.000 2.588 329 L HA -0.342 3.998 4.340 -0.000 0.000 0.229 329 L C 0.146 177.022 176.870 0.010 0.000 1.158 329 L CA 1.931 56.799 54.840 0.047 0.000 0.803 329 L CB -0.681 41.462 42.059 0.141 0.000 0.926 329 L HN -0.045 8.205 8.230 0.033 0.000 0.450 330 D N -4.816 115.583 120.400 -0.001 0.000 3.220 330 D HA 0.130 4.770 4.640 -0.000 0.000 0.309 330 D C -1.041 175.248 176.300 -0.017 0.000 1.276 330 D CA -0.430 53.561 54.000 -0.014 0.000 0.736 330 D CB 0.329 41.133 40.800 0.006 0.000 1.304 330 D HN -0.442 7.851 8.370 0.004 0.079 0.582 331 I N 1.058 121.608 120.570 -0.033 0.000 2.447 331 I HA 0.069 4.239 4.170 -0.000 0.000 0.287 331 I C -0.514 175.571 176.117 -0.054 0.000 1.023 331 I CA -1.039 60.241 61.300 -0.033 0.000 1.083 331 I CB 2.417 40.396 38.000 -0.036 0.000 1.245 331 I HN -0.371 7.812 8.210 -0.045 0.000 0.434 332 Q N 7.868 127.640 119.800 -0.046 0.000 2.255 332 Q HA 0.061 4.401 4.340 -0.000 0.000 0.280 332 Q C -0.741 175.218 176.000 -0.067 0.000 1.068 332 Q CA -1.168 54.601 55.803 -0.057 0.000 0.911 332 Q CB 0.009 28.723 28.738 -0.041 0.000 1.157 332 Q HN 0.261 8.511 8.270 -0.033 0.000 0.380 333 P HA -0.213 4.207 4.420 -0.000 0.000 0.220 333 P C -0.054 177.199 177.300 -0.078 0.000 1.144 333 P CA 0.994 64.032 63.100 -0.103 0.000 0.800 333 P CB 0.498 32.121 31.700 -0.128 0.000 0.772 334 T N -5.786 108.734 114.554 -0.057 0.000 12.596 334 T HA -0.449 3.901 4.350 -0.000 0.000 0.419 334 T C 0.495 175.176 174.700 -0.032 0.000 1.441 334 T CA 2.086 64.163 62.100 -0.038 0.000 2.379 334 T CB -1.377 67.474 68.868 -0.029 0.000 2.842 334 T HN -0.016 8.124 8.240 -0.058 0.064 0.775 335 E N -0.667 119.512 120.200 -0.035 0.000 2.442 335 E HA 0.370 4.720 4.350 -0.000 0.000 0.261 335 E C -0.487 176.088 176.600 -0.041 0.000 0.935 335 E CA -1.559 54.828 56.400 -0.021 0.000 0.856 335 E CB 2.808 32.510 29.700 0.003 0.000 1.571 335 E HN 0.034 8.333 8.360 -0.044 0.035 0.431 336 I N -0.136 120.427 120.570 -0.012 0.000 2.581 336 I HA 0.015 4.185 4.170 -0.000 0.000 0.288 336 I C 0.341 176.477 176.117 0.032 0.000 1.047 336 I CA 0.645 61.917 61.300 -0.046 0.000 1.374 336 I CB -0.349 37.646 38.000 -0.008 0.000 1.423 336 I HN 0.315 8.538 8.210 0.022 0.000 0.549 337 H N -1.493 117.546 119.070 -0.050 0.000 3.612 337 H HA -0.279 4.277 4.556 -0.000 0.000 0.212 337 H C -0.011 175.261 175.328 -0.093 0.000 1.041 337 H CA 1.176 57.201 56.048 -0.037 0.000 1.205 337 H CB -1.159 28.623 29.762 0.033 0.000 1.159 337 H HN 0.186 8.256 8.280 -0.350 0.000 0.323 338 Q N 0.679 120.464 119.800 -0.026 0.000 3.128 338 Q HA -0.341 3.999 4.340 -0.000 0.000 0.332 338 Q C -0.629 175.330 176.000 -0.068 0.000 1.236 338 Q CA 0.497 56.272 55.803 -0.047 0.000 1.163 338 Q CB -0.188 28.504 28.738 -0.077 0.000 1.132 338 Q HN -0.422 7.720 8.270 -0.054 0.096 0.454 339 R N 2.403 122.878 120.500 -0.041 0.000 2.697 339 R HA 0.057 4.397 4.340 -0.000 0.000 0.265 339 R C -0.648 175.604 176.300 -0.081 0.000 1.009 339 R CA 0.302 56.364 56.100 -0.064 0.000 1.099 339 R CB 0.334 30.604 30.300 -0.050 0.000 0.965 339 R HN 0.045 8.306 8.270 -0.014 0.000 0.428 340 V N 1.591 121.443 119.914 -0.103 0.000 2.737 340 V HA 0.186 4.306 4.120 -0.000 0.000 0.298 340 V C -2.502 173.507 176.094 -0.143 0.000 1.163 340 V CA -2.068 60.163 62.300 -0.116 0.000 0.925 340 V CB 3.024 34.776 31.823 -0.118 0.000 1.037 340 V HN 0.492 8.613 8.190 -0.116 0.000 0.433 341 P HA 0.127 4.547 4.420 -0.000 0.000 0.269 341 P C -2.184 174.878 177.300 -0.397 0.000 1.209 341 P CA -0.423 62.541 63.100 -0.227 0.000 0.776 341 P CB 0.876 32.447 31.700 -0.214 0.000 0.876 342 L N 1.818 122.725 121.223 -0.526 0.000 2.362 342 L HA 0.416 4.756 4.340 -0.000 0.000 0.271 342 L C -1.940 174.445 176.870 -0.810 0.000 1.002 342 L CA -0.579 53.957 54.840 -0.506 0.000 0.818 342 L CB 3.737 45.643 42.059 -0.256 0.000 1.298 342 L HN -0.568 7.392 8.230 -0.449 0.000 0.420 343 Y N 4.525 124.787 120.300 -0.064 0.000 2.332 343 Y HA 0.500 5.050 4.550 -0.000 0.000 0.326 343 Y C -1.662 174.213 175.900 -0.042 0.000 0.978 343 Y CA -1.353 56.712 58.100 -0.059 0.000 1.205 343 Y CB 1.980 40.415 38.460 -0.043 0.000 1.131 343 Y HN 0.854 9.026 8.280 -0.180 0.000 0.462 344 I N 3.882 124.495 120.570 0.072 0.000 2.466 344 I HA 0.692 4.862 4.170 -0.000 0.000 0.289 344 I C -2.153 174.028 176.117 0.106 0.000 1.026 344 I CA -1.704 59.626 61.300 0.050 0.000 1.078 344 I CB 3.006 40.974 38.000 -0.053 0.000 1.249 344 I HN 0.159 8.405 8.210 0.060 0.000 0.429 345 G N 5.804 114.663 108.800 0.099 0.000 2.317 345 G HA2 0.155 4.115 3.960 -0.000 0.000 0.293 345 G HA3 0.155 4.115 3.960 -0.000 0.000 0.293 345 G C -2.683 172.259 174.900 0.070 0.000 1.287 345 G CA 0.374 45.534 45.100 0.100 0.000 0.850 345 G HN 0.066 8.403 8.290 0.078 0.000 0.515 346 S N 0.650 116.382 115.700 0.054 0.000 2.516 346 S HA 0.166 4.636 4.470 -0.000 0.000 0.282 346 S C 1.911 176.530 174.600 0.032 0.000 1.286 346 S CA 0.465 58.686 58.200 0.036 0.000 1.066 346 S CB -0.061 63.157 63.200 0.030 0.000 0.884 346 S HN -0.413 7.930 8.310 0.055 0.000 0.491 347 V N 1.826 121.755 119.914 0.025 0.000 2.271 347 V HA -0.549 3.571 4.120 -0.000 0.000 0.252 347 V C 1.460 177.568 176.094 0.023 0.000 1.037 347 V CA 3.732 66.045 62.300 0.021 0.000 1.077 347 V CB -0.878 30.954 31.823 0.015 0.000 0.712 347 V HN 0.295 8.497 8.190 0.021 0.000 0.487 348 E N 1.799 122.015 120.200 0.027 0.000 2.132 348 E HA -0.498 3.852 4.350 -0.000 0.000 0.218 348 E C 1.890 178.512 176.600 0.038 0.000 1.058 348 E CA 2.844 59.264 56.400 0.034 0.000 0.882 348 E CB -0.360 29.367 29.700 0.045 0.000 0.774 348 E HN -0.019 8.356 8.360 0.026 0.000 0.467 349 E N -2.494 117.729 120.200 0.038 0.000 2.773 349 E HA -0.025 4.325 4.350 -0.000 0.000 0.302 349 E C -0.784 175.834 176.600 0.029 0.000 1.574 349 E CA 0.511 56.931 56.400 0.034 0.000 1.775 349 E CB -0.854 28.850 29.700 0.006 0.000 1.413 349 E HN -0.324 8.052 8.360 0.035 0.005 0.471 350 V N -0.488 119.431 119.914 0.008 0.000 3.051 350 V HA -0.030 4.090 4.120 -0.000 0.000 0.244 350 V C 0.572 176.632 176.094 -0.056 0.000 1.746 350 V CA 2.014 64.307 62.300 -0.012 0.000 1.010 350 V CB 1.720 33.560 31.823 0.029 0.000 0.967 350 V HN 0.330 8.424 8.190 0.007 0.100 0.393 351 E N 0.598 120.781 120.200 -0.028 0.000 2.152 351 E HA -0.377 3.973 4.350 -0.000 0.000 0.192 351 E C 1.392 177.961 176.600 -0.051 0.000 0.983 351 E CA 2.972 59.354 56.400 -0.030 0.000 0.818 351 E CB -0.037 29.661 29.700 -0.003 0.000 0.758 351 E HN -0.315 8.042 8.360 -0.005 0.000 0.467 352 K N -1.432 118.941 120.400 -0.044 0.000 2.001 352 K HA -0.345 3.975 4.320 -0.000 0.000 0.223 352 K C 2.622 179.101 176.600 -0.202 0.000 1.055 352 K CA 3.761 60.024 56.287 -0.040 0.000 0.965 352 K CB -0.237 32.267 32.500 0.007 0.000 0.730 352 K HN -0.350 7.944 8.250 -0.018 -0.054 0.449 353 L N -5.992 114.880 121.223 -0.585 0.000 2.376 353 L HA 0.002 4.342 4.340 -0.000 0.000 0.219 353 L C 1.377 177.898 176.870 -0.582 0.000 1.133 353 L CA 2.087 56.232 54.840 -1.157 0.000 0.816 353 L CB -0.508 40.615 42.059 -1.560 0.000 0.933 353 L HN -0.182 7.778 8.230 -0.449 0.000 0.449 354 E N 0.439 120.462 120.200 -0.295 0.000 2.418 354 E HA -0.203 4.147 4.350 -0.000 0.000 0.197 354 E C 0.947 177.543 176.600 -0.006 0.000 1.026 354 E CA 1.743 58.059 56.400 -0.140 0.000 0.862 354 E CB -0.332 29.315 29.700 -0.089 0.000 0.799 354 E HN -0.472 7.580 8.360 -0.270 0.146 0.518 355 K N -1.304 119.153 120.400 0.096 0.000 2.591 355 K HA -0.074 4.246 4.320 -0.000 0.000 0.197 355 K C -0.459 176.214 176.600 0.122 0.000 1.026 355 K CA -0.562 55.794 56.287 0.114 0.000 1.127 355 K CB -0.105 32.447 32.500 0.086 0.000 0.871 355 K HN -0.514 7.583 8.250 0.063 0.191 0.507 356 Y N -1.082 119.128 120.300 -0.149 0.000 2.635 356 Y HA 0.114 4.664 4.550 -0.000 0.000 0.373 356 Y C -1.363 174.471 175.900 -0.110 0.000 1.000 356 Y CA -1.171 56.852 58.100 -0.129 0.000 1.219 356 Y CB -0.682 37.680 38.460 -0.164 0.000 1.294 356 Y HN -0.729 7.572 8.280 0.252 0.131 0.612 357 L N -1.426 119.794 121.223 -0.005 0.000 2.503 357 L HA 0.178 4.518 4.340 -0.000 0.000 0.248 357 L C -0.162 176.671 176.870 -0.062 0.000 1.126 357 L CA -0.121 54.692 54.840 -0.045 0.000 0.929 357 L CB 2.269 44.289 42.059 -0.065 0.000 1.544 357 L HN -0.686 7.524 8.230 -0.034 0.000 0.404 358 A N 0.000 122.777 122.820 -0.071 0.000 2.254 358 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 358 A CA 0.000 51.999 52.037 -0.063 0.000 0.836 358 A CB 0.000 18.967 19.000 -0.055 0.000 0.831 358 A HN 0.000 8.097 8.150 -0.088 0.000 0.486