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 2j45_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFQQLSARLQ EAIGRLRGRG RITEEDLKAT LREIRRALMD ADVNLEVARD DATA SEQUENCE FVERVREEAL GKQVLESLTP AEVILATVYE ALKEALGGEA RLPVLKDRNL DATA SEQUENCE WFLVGLQGSG KTTTAAKLAL YYKGKGRRPL LVAADTQRPA AREQLRLLGE DATA SEQUENCE KVGVPVLEVM DGESPESIRR RVEEKARLEA RDLILVDTAG RLQIDEPLMG DATA SEQUENCE ELARLKEVLG PDEVLLVLDA MTGQEALSVA RAFDEKVGVT GLVLTKLDGD DATA SEQUENCE ARGGAALSAR HVTGKPIYFA GVSEKPEGLE PFYPERLAGR ILGMGDV 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 1 M HA 0.000 4.394 4.480 -0.144 0.000 0.227 1 M C 0.000 176.219 176.300 -0.136 0.000 1.140 1 M CA 0.000 55.161 55.300 -0.232 0.000 0.988 1 M CB 0.000 32.307 32.600 -0.488 0.000 1.302 2 F N -1.476 118.489 119.950 0.025 0.000 2.905 2 F HA -0.357 4.315 4.527 0.016 -0.135 0.291 2 F C 1.060 176.866 175.800 0.011 0.000 1.002 2 F CA -0.063 57.947 58.000 0.018 0.000 0.978 2 F CB -3.042 35.970 39.000 0.019 0.000 1.036 2 F HN 0.309 8.730 8.300 0.202 0.000 0.820 3 Q N -0.486 119.415 119.800 0.169 0.000 2.096 3 Q HA -0.447 3.992 4.340 0.079 -0.052 0.204 3 Q C 2.100 178.146 176.000 0.077 0.000 0.982 3 Q CA 2.899 58.758 55.803 0.093 0.000 0.850 3 Q CB -0.390 28.386 28.738 0.063 0.000 0.901 3 Q HN 0.078 8.501 8.270 0.165 -0.054 0.422 4 Q N 0.938 120.780 119.800 0.070 0.000 2.020 4 Q HA -0.326 4.032 4.340 0.031 0.000 0.202 4 Q C 2.517 178.538 176.000 0.036 0.000 0.982 4 Q CA 3.213 59.039 55.803 0.038 0.000 0.838 4 Q CB -0.264 28.486 28.738 0.019 0.000 0.899 4 Q HN -0.488 7.830 8.270 0.079 -0.001 0.423 5 L N -0.530 120.722 121.223 0.047 0.000 2.012 5 L HA -0.309 4.030 4.340 -0.001 0.000 0.210 5 L C 1.579 178.483 176.870 0.058 0.000 1.073 5 L CA 3.426 58.286 54.840 0.033 0.000 0.748 5 L CB -0.186 41.895 42.059 0.036 0.000 0.891 5 L HN -0.579 7.621 8.230 0.062 0.067 0.431 6 S N 0.195 115.952 115.700 0.095 0.000 2.365 6 S HA -0.350 4.294 4.470 0.082 -0.125 0.225 6 S C 2.234 176.863 174.600 0.048 0.000 1.039 6 S CA 3.730 61.976 58.200 0.077 0.000 1.033 6 S CB -0.701 62.544 63.200 0.075 0.000 0.887 6 S HN 0.495 8.770 8.310 0.128 0.112 0.447 7 A N 0.301 123.144 122.820 0.039 0.000 1.873 7 A HA -0.215 4.121 4.320 0.026 0.000 0.215 7 A C 2.031 179.628 177.584 0.022 0.000 1.186 7 A CA 3.211 55.264 52.037 0.027 0.000 0.616 7 A CB -0.699 18.315 19.000 0.022 0.000 0.823 7 A HN 0.067 8.243 8.150 0.043 0.000 0.442 8 R N -1.900 118.611 120.500 0.018 0.000 2.090 8 R HA -0.123 4.353 4.340 0.009 -0.131 0.228 8 R C 2.864 179.173 176.300 0.016 0.000 1.110 8 R CA 1.765 57.871 56.100 0.011 0.000 0.973 8 R CB -0.369 29.931 30.300 -0.000 0.000 0.869 8 R HN -0.094 8.106 8.270 0.018 0.081 0.440 9 L N -0.266 120.970 121.223 0.022 0.000 2.056 9 L HA -0.449 3.910 4.340 0.033 0.000 0.207 9 L C 1.921 178.816 176.870 0.041 0.000 1.078 9 L CA 3.461 58.322 54.840 0.036 0.000 0.749 9 L CB -0.560 41.530 42.059 0.051 0.000 0.901 9 L HN 0.581 8.719 8.230 0.023 0.106 0.433 10 Q N -1.604 118.218 119.800 0.037 0.000 2.124 10 Q HA -0.419 3.943 4.340 0.035 0.000 0.202 10 Q C 2.783 178.798 176.000 0.025 0.000 0.977 10 Q CA 3.779 59.601 55.803 0.032 0.000 0.850 10 Q CB -0.114 28.640 28.738 0.027 0.000 0.901 10 Q HN 0.066 8.358 8.270 0.037 0.000 0.429 11 E N -0.108 120.105 120.200 0.021 0.000 2.107 11 E HA -0.308 4.051 4.350 0.015 0.000 0.191 11 E C 2.202 178.813 176.600 0.018 0.000 0.982 11 E CA 2.753 59.163 56.400 0.017 0.000 0.809 11 E CB -0.298 29.410 29.700 0.013 0.000 0.756 11 E HN -0.081 8.292 8.360 0.021 0.000 0.459 12 A N 0.110 122.944 122.820 0.022 0.000 1.908 12 A HA -0.232 4.101 4.320 0.020 0.000 0.218 12 A C 1.935 179.535 177.584 0.028 0.000 1.181 12 A CA 2.963 55.014 52.037 0.025 0.000 0.627 12 A CB -0.401 18.616 19.000 0.029 0.000 0.818 12 A HN -0.436 7.728 8.150 0.023 0.000 0.445 13 I N -2.646 117.944 120.570 0.033 0.000 2.252 13 I HA -0.507 3.684 4.170 0.034 0.000 0.245 13 I C 2.356 178.486 176.117 0.022 0.000 1.102 13 I CA 3.129 64.448 61.300 0.032 0.000 1.385 13 I CB -0.020 38.003 38.000 0.038 0.000 1.064 13 I HN -0.419 7.812 8.210 0.035 0.000 0.414 14 G N -1.046 107.765 108.800 0.019 0.000 2.450 14 G HA2 -0.340 3.627 3.960 0.013 0.000 0.220 14 G HA3 -0.340 3.627 3.960 0.012 0.000 0.220 14 G C 1.315 176.222 174.900 0.012 0.000 1.130 14 G CA 1.740 46.848 45.100 0.014 0.000 0.760 14 G HN 0.082 8.314 8.290 0.020 0.071 0.557 15 R N 0.905 121.413 120.500 0.014 0.000 2.120 15 R HA -0.333 4.013 4.340 0.010 0.000 0.234 15 R C 1.651 177.958 176.300 0.011 0.000 1.123 15 R CA 3.001 59.108 56.100 0.012 0.000 0.975 15 R CB -0.049 30.259 30.300 0.013 0.000 0.866 15 R HN -0.034 8.225 8.270 0.016 0.020 0.446 16 L N -4.265 116.966 121.223 0.013 0.000 2.478 16 L HA -0.171 4.176 4.340 0.012 0.000 0.223 16 L C -0.418 176.458 176.870 0.010 0.000 1.140 16 L CA 0.489 55.337 54.840 0.013 0.000 0.842 16 L CB -0.326 41.742 42.059 0.016 0.000 0.953 16 L HN -0.409 7.812 8.230 0.016 0.018 0.452 17 R N -1.254 119.251 120.500 0.009 0.000 2.490 17 R HA -0.133 4.211 4.340 0.006 0.000 0.280 17 R C 0.734 177.037 176.300 0.005 0.000 1.077 17 R CA 1.243 57.347 56.100 0.006 0.000 1.065 17 R CB 0.627 30.930 30.300 0.005 0.000 1.003 17 R HN -0.643 7.297 8.270 0.009 0.335 0.470 18 G N 3.307 112.109 108.800 0.004 0.000 2.147 18 G HA2 -0.289 3.673 3.960 0.003 0.000 0.244 18 G HA3 -0.289 3.672 3.960 0.002 0.000 0.244 18 G C -0.300 174.602 174.900 0.003 0.000 1.005 18 G CA 0.887 45.988 45.100 0.003 0.000 0.713 18 G HN 0.786 9.078 8.290 0.003 0.000 0.515 19 R N -1.881 118.621 120.500 0.004 0.000 2.394 19 R HA 0.131 4.473 4.340 0.004 0.000 0.220 19 R C -0.137 176.165 176.300 0.004 0.000 0.887 19 R CA -0.638 55.465 56.100 0.004 0.000 1.034 19 R CB 1.276 31.580 30.300 0.006 0.000 1.179 19 R HN -0.477 7.766 8.270 0.004 0.030 0.561 20 G N -0.470 108.332 108.800 0.004 0.000 2.512 20 G HA2 -0.418 3.544 3.960 0.003 0.000 0.254 20 G HA3 -0.418 3.858 3.960 0.003 -0.315 0.254 20 G C -1.426 173.477 174.900 0.005 0.000 1.199 20 G CA -0.258 44.844 45.100 0.004 0.000 0.941 20 G HN -0.310 7.982 8.290 0.004 0.000 0.569 21 R N 1.702 122.204 120.500 0.004 0.000 2.438 21 R HA 0.258 4.738 4.340 0.005 -0.136 0.287 21 R C 0.199 176.502 176.300 0.006 0.000 1.077 21 R CA 0.080 56.184 56.100 0.005 0.000 1.034 21 R CB 0.677 30.979 30.300 0.004 0.000 0.993 21 R HN 0.045 8.317 8.270 0.004 0.000 0.459 22 I N -2.076 118.498 120.570 0.007 0.000 2.676 22 I HA 0.545 4.787 4.170 0.008 -0.067 0.309 22 I C -0.224 175.897 176.117 0.008 0.000 0.990 22 I CA -1.917 59.388 61.300 0.008 0.000 1.168 22 I CB 2.048 40.054 38.000 0.010 0.000 1.343 22 I HN 0.085 8.300 8.210 0.007 0.000 0.482 23 T N -0.955 113.603 114.554 0.008 0.000 2.897 23 T HA 0.287 4.641 4.350 0.007 0.000 0.278 23 T C 0.681 175.386 174.700 0.009 0.000 0.981 23 T CA -2.428 59.676 62.100 0.007 0.000 0.973 23 T CB 2.461 71.333 68.868 0.007 0.000 1.092 23 T HN 1.033 10.543 8.240 0.008 -1.265 0.543 24 E N 0.531 120.735 120.200 0.008 0.000 2.085 24 E HA -0.383 3.973 4.350 0.010 0.000 0.194 24 E C 1.647 178.253 176.600 0.010 0.000 0.994 24 E CA 4.056 60.461 56.400 0.009 0.000 0.801 24 E CB -0.138 29.567 29.700 0.008 0.000 0.743 24 E HN 0.444 8.809 8.360 0.007 0.000 0.453 25 E N -2.174 118.031 120.200 0.009 0.000 2.106 25 E HA -0.275 4.081 4.350 0.010 0.000 0.192 25 E C 2.679 179.285 176.600 0.010 0.000 0.984 25 E CA 2.855 59.261 56.400 0.009 0.000 0.806 25 E CB -0.651 29.053 29.700 0.008 0.000 0.750 25 E HN -0.556 7.809 8.360 0.008 0.000 0.458 26 D N -0.155 120.251 120.400 0.010 0.000 2.117 26 D HA -0.245 4.401 4.640 0.011 0.000 0.197 26 D C 2.235 178.544 176.300 0.015 0.000 0.987 26 D CA 3.165 57.172 54.000 0.012 0.000 0.829 26 D CB -0.330 40.477 40.800 0.011 0.000 0.961 26 D HN -0.537 7.759 8.370 0.009 0.080 0.460 27 L N 1.136 122.368 121.223 0.015 0.000 1.994 27 L HA -0.370 3.983 4.340 0.021 0.000 0.208 27 L C 1.138 178.021 176.870 0.021 0.000 1.071 27 L CA 3.419 58.270 54.840 0.019 0.000 0.745 27 L CB -0.309 41.760 42.059 0.017 0.000 0.892 27 L HN 0.109 8.316 8.230 0.013 0.032 0.431 28 K N -2.345 118.066 120.400 0.018 0.000 2.211 28 K HA -0.408 3.925 4.320 0.023 0.000 0.203 28 K C 1.931 178.543 176.600 0.020 0.000 1.050 28 K CA 3.248 59.547 56.287 0.020 0.000 0.945 28 K CB -0.400 32.110 32.500 0.016 0.000 0.732 28 K HN 0.272 8.414 8.250 0.016 0.118 0.451 29 A N -0.669 122.161 122.820 0.017 0.000 1.877 29 A HA -0.211 4.118 4.320 0.015 0.000 0.216 29 A C 2.101 179.697 177.584 0.020 0.000 1.186 29 A CA 3.349 55.395 52.037 0.016 0.000 0.620 29 A CB -0.948 18.060 19.000 0.013 0.000 0.822 29 A HN -0.229 7.930 8.150 0.016 0.001 0.443 30 T N 2.466 117.034 114.554 0.024 0.000 2.684 30 T HA -0.315 4.052 4.350 0.027 0.000 0.267 30 T C 1.934 176.658 174.700 0.039 0.000 1.036 30 T CA 5.003 67.121 62.100 0.030 0.000 1.148 30 T CB -0.400 68.487 68.868 0.032 0.000 0.863 30 T HN -0.469 7.704 8.240 0.022 0.081 0.436 31 L N 0.261 121.510 121.223 0.042 0.000 2.046 31 L HA -0.458 3.925 4.340 0.071 0.000 0.208 31 L C 1.951 178.848 176.870 0.045 0.000 1.077 31 L CA 3.516 58.389 54.840 0.054 0.000 0.747 31 L CB -0.679 41.410 42.059 0.050 0.000 0.896 31 L HN 0.172 8.424 8.230 0.037 0.000 0.432 32 R N -1.931 118.587 120.500 0.030 0.000 2.096 32 R HA -0.415 3.937 4.340 0.021 0.000 0.235 32 R C 2.386 178.695 176.300 0.014 0.000 1.127 32 R CA 3.730 59.842 56.100 0.020 0.000 0.968 32 R CB -0.383 29.925 30.300 0.014 0.000 0.861 32 R HN 0.167 8.454 8.270 0.027 0.000 0.440 33 E N 0.103 120.313 120.200 0.016 0.000 2.106 33 E HA -0.190 4.161 4.350 0.003 0.000 0.192 33 E C 2.250 178.853 176.600 0.005 0.000 0.984 33 E CA 2.236 58.641 56.400 0.009 0.000 0.806 33 E CB -0.816 28.891 29.700 0.012 0.000 0.750 33 E HN -0.473 7.899 8.360 0.020 0.000 0.458 34 I N 0.224 120.807 120.570 0.021 0.000 2.226 34 I HA -0.597 3.572 4.170 -0.001 0.000 0.245 34 I C 1.668 177.767 176.117 -0.030 0.000 1.100 34 I CA 4.742 66.050 61.300 0.014 0.000 1.374 34 I CB -0.304 37.746 38.000 0.083 0.000 1.057 34 I HN -0.132 8.099 8.210 0.035 0.000 0.413 35 R N -0.544 119.953 120.500 -0.004 0.000 2.081 35 R HA -0.451 3.860 4.340 -0.048 0.000 0.235 35 R C 1.910 178.182 176.300 -0.047 0.000 1.131 35 R CA 3.868 59.952 56.100 -0.027 0.000 0.960 35 R CB -0.211 30.090 30.300 0.002 0.000 0.856 35 R HN -0.182 8.100 8.270 0.020 0.000 0.436 36 R N -1.349 119.133 120.500 -0.030 0.000 2.091 36 R HA -0.330 3.990 4.340 -0.032 0.000 0.238 36 R C 1.726 177.997 176.300 -0.047 0.000 1.136 36 R CA 3.386 59.467 56.100 -0.032 0.000 0.959 36 R CB -0.150 30.139 30.300 -0.019 0.000 0.856 36 R HN -0.114 8.146 8.270 -0.018 0.000 0.437 37 A N -1.126 121.662 122.820 -0.053 0.000 1.898 37 A HA -0.233 4.057 4.320 -0.049 0.000 0.216 37 A C 2.259 179.782 177.584 -0.100 0.000 1.181 37 A CA 2.957 54.956 52.037 -0.063 0.000 0.620 37 A CB -0.469 18.500 19.000 -0.052 0.000 0.819 37 A HN -0.260 7.863 8.150 -0.045 0.000 0.442 38 L N -2.224 118.911 121.223 -0.146 0.000 2.046 38 L HA -0.482 3.730 4.340 -0.213 0.000 0.208 38 L C 2.576 179.359 176.870 -0.145 0.000 1.077 38 L CA 3.264 57.986 54.840 -0.197 0.000 0.747 38 L CB -0.148 41.737 42.059 -0.291 0.000 0.896 38 L HN -0.357 7.784 8.230 -0.148 0.000 0.432 39 M N -0.428 119.107 119.600 -0.109 0.000 2.159 39 M HA -0.309 4.552 4.480 -0.093 -0.437 0.263 39 M C 2.879 179.134 176.300 -0.075 0.000 1.063 39 M CA 3.758 59.007 55.300 -0.085 0.000 1.110 39 M CB 0.021 32.584 32.600 -0.063 0.000 1.374 39 M HN -0.124 8.106 8.290 -0.100 0.000 0.411 40 D N -1.456 118.903 120.400 -0.068 0.000 2.264 40 D HA -0.180 4.430 4.640 -0.050 0.000 0.208 40 D C 0.299 176.558 176.300 -0.069 0.000 0.966 40 D CA 2.836 56.801 54.000 -0.058 0.000 0.864 40 D CB -0.528 40.245 40.800 -0.045 0.000 0.933 40 D HN -0.052 8.277 8.370 -0.068 0.000 0.499 41 A N -3.949 118.815 122.820 -0.093 0.000 2.302 41 A HA -0.041 4.216 4.320 -0.104 0.000 0.219 41 A C -1.323 176.182 177.584 -0.131 0.000 1.243 41 A CA -0.723 51.243 52.037 -0.118 0.000 0.856 41 A CB -0.138 18.773 19.000 -0.149 0.000 0.893 41 A HN -0.769 7.175 8.150 -0.102 0.144 0.491 42 D N -5.637 114.699 120.400 -0.105 0.000 3.051 42 D HA -0.355 4.236 4.640 -0.082 0.000 0.218 42 D C -1.278 174.955 176.300 -0.112 0.000 1.129 42 D CA 1.171 55.112 54.000 -0.099 0.000 0.868 42 D CB -1.102 39.642 40.800 -0.094 0.000 1.100 42 D HN -0.445 7.810 8.370 -0.092 0.060 0.429 43 V N -0.871 118.969 119.914 -0.124 0.000 2.481 43 V HA 0.108 4.152 4.120 -0.127 0.000 0.286 43 V C -0.630 175.398 176.094 -0.109 0.000 1.042 43 V CA -1.081 61.141 62.300 -0.130 0.000 0.928 43 V CB 1.582 33.308 31.823 -0.162 0.000 0.986 43 V HN -0.398 7.715 8.190 -0.128 0.000 0.462 44 N N 6.728 125.365 118.700 -0.105 0.000 2.354 44 N HA -0.167 4.531 4.740 -0.069 0.000 0.246 44 N C 0.504 175.965 175.510 -0.082 0.000 1.285 44 N CA 0.075 53.075 53.050 -0.084 0.000 0.925 44 N CB 0.635 39.078 38.487 -0.072 0.000 1.174 44 N HN 0.245 8.556 8.380 -0.114 0.000 0.478 45 L N 0.592 121.781 121.223 -0.056 0.000 2.012 45 L HA -0.249 4.066 4.340 -0.042 0.000 0.210 45 L C 1.303 178.150 176.870 -0.039 0.000 1.073 45 L CA 3.392 58.207 54.840 -0.041 0.000 0.748 45 L CB -0.160 41.884 42.059 -0.024 0.000 0.891 45 L HN 0.247 8.449 8.230 -0.047 0.000 0.431 46 E N -1.422 118.753 120.200 -0.041 0.000 2.051 46 E HA -0.391 3.964 4.350 0.008 0.000 0.192 46 E C 2.121 178.673 176.600 -0.079 0.000 0.991 46 E CA 3.285 59.673 56.400 -0.021 0.000 0.799 46 E CB -0.212 29.501 29.700 0.021 0.000 0.748 46 E HN -0.532 7.870 8.360 -0.040 -0.067 0.449 47 V N 0.379 120.153 119.914 -0.235 0.000 2.343 47 V HA -0.386 3.371 4.120 -0.605 0.000 0.247 47 V C 2.076 178.106 176.094 -0.106 0.000 1.051 47 V CA 3.996 66.069 62.300 -0.378 0.000 1.036 47 V CB -0.470 31.087 31.823 -0.442 0.000 0.654 47 V HN 0.066 8.494 8.190 -0.223 -0.372 0.451 48 A N -1.191 121.582 122.820 -0.080 0.000 1.898 48 A HA -0.288 4.007 4.320 -0.043 0.000 0.216 48 A C 2.139 179.756 177.584 0.054 0.000 1.181 48 A CA 3.236 55.253 52.037 -0.032 0.000 0.620 48 A CB -0.681 18.275 19.000 -0.074 0.000 0.819 48 A HN -0.152 7.938 8.150 -0.100 0.000 0.442 49 R N -1.722 118.798 120.500 0.034 0.000 2.081 49 R HA -0.398 3.978 4.340 0.059 0.000 0.235 49 R C 2.393 178.748 176.300 0.091 0.000 1.131 49 R CA 3.687 59.822 56.100 0.058 0.000 0.960 49 R CB -0.219 30.103 30.300 0.037 0.000 0.856 49 R HN -0.030 8.244 8.270 0.008 0.000 0.436 50 D N -0.324 120.139 120.400 0.105 0.000 2.117 50 D HA -0.234 4.468 4.640 0.103 0.000 0.197 50 D C 2.107 178.491 176.300 0.141 0.000 0.987 50 D CA 3.333 57.411 54.000 0.131 0.000 0.829 50 D CB -0.484 40.443 40.800 0.212 0.000 0.961 50 D HN -0.275 8.147 8.370 0.086 0.000 0.460 51 F N 1.283 121.243 119.950 0.017 0.000 2.069 51 F HA -0.381 4.160 4.527 0.024 0.000 0.298 51 F C 0.977 176.785 175.800 0.014 0.000 1.113 51 F CA 3.833 61.842 58.000 0.014 0.000 1.214 51 F CB 0.229 39.227 39.000 -0.003 0.000 0.978 51 F HN -0.373 8.100 8.300 0.290 0.000 0.474 52 V N -4.258 115.847 119.914 0.317 0.000 2.809 52 V HA -0.385 3.864 4.120 0.215 0.000 0.256 52 V C 1.247 177.384 176.094 0.073 0.000 1.080 52 V CA 3.213 65.629 62.300 0.193 0.000 1.102 52 V CB -0.709 31.213 31.823 0.164 0.000 0.705 52 V HN -0.458 7.918 8.190 0.311 0.000 0.475 53 E N 1.326 121.560 120.200 0.056 0.000 2.106 53 E HA -0.342 4.022 4.350 0.023 0.000 0.192 53 E C 1.652 178.244 176.600 -0.013 0.000 0.984 53 E CA 2.946 59.359 56.400 0.023 0.000 0.806 53 E CB -0.374 29.344 29.700 0.030 0.000 0.750 53 E HN -0.158 8.248 8.360 0.076 0.000 0.458 54 R N -1.047 119.424 120.500 -0.049 0.000 2.092 54 R HA -0.246 nan 4.340 nan 0.000 0.231 54 R C 2.206 178.435 176.300 -0.118 0.000 1.119 54 R CA 3.278 59.319 56.100 -0.098 0.000 0.970 54 R CB -0.148 30.059 30.300 -0.154 0.000 0.864 54 R HN -0.405 7.838 8.270 -0.045 0.000 0.440 55 V N -0.032 119.798 119.914 -0.139 0.000 2.307 55 V HA -0.443 3.608 4.120 -0.114 0.000 0.245 55 V C 1.598 177.673 176.094 -0.030 0.000 1.045 55 V CA 4.375 66.619 62.300 -0.093 0.000 1.024 55 V CB -0.413 31.381 31.823 -0.048 0.000 0.651 55 V HN -0.328 7.766 8.190 -0.160 0.000 0.449 56 R N -0.058 120.437 120.500 -0.009 0.000 2.094 56 R HA -0.539 3.807 4.340 0.009 0.000 0.239 56 R C 2.057 178.353 176.300 -0.006 0.000 1.137 56 R CA 4.194 60.296 56.100 0.003 0.000 0.943 56 R CB -0.049 30.258 30.300 0.011 0.000 0.850 56 R HN 0.159 8.427 8.270 -0.003 0.000 0.433 57 E N -1.475 118.717 120.200 -0.014 0.000 2.058 57 E HA -0.386 3.959 4.350 -0.009 0.000 0.194 57 E C 2.727 179.317 176.600 -0.017 0.000 0.997 57 E CA 3.418 59.809 56.400 -0.015 0.000 0.801 57 E CB -0.257 29.432 29.700 -0.019 0.000 0.746 57 E HN -0.342 8.007 8.360 -0.018 0.000 0.450 58 E N -1.665 118.519 120.200 -0.027 0.000 2.107 58 E HA -0.237 4.101 4.350 -0.020 0.000 0.191 58 E C 2.362 178.956 176.600 -0.011 0.000 0.982 58 E CA 2.295 58.680 56.400 -0.024 0.000 0.809 58 E CB -0.520 29.155 29.700 -0.041 0.000 0.756 58 E HN -0.252 8.085 8.360 -0.037 0.000 0.459 59 A N -0.003 122.812 122.820 -0.007 0.000 1.873 59 A HA -0.237 4.087 4.320 0.006 0.000 0.215 59 A C 1.979 179.565 177.584 0.004 0.000 1.186 59 A CA 3.245 55.284 52.037 0.003 0.000 0.616 59 A CB -0.523 18.482 19.000 0.009 0.000 0.823 59 A HN 0.135 8.279 8.150 -0.011 0.000 0.442 60 L N -3.784 117.440 121.223 0.002 0.000 2.275 60 L HA -0.307 4.035 4.340 0.004 0.000 0.215 60 L C 2.737 179.607 176.870 0.001 0.000 1.119 60 L CA 2.309 57.151 54.840 0.002 0.000 0.790 60 L CB -0.434 41.626 42.059 0.002 0.000 0.919 60 L HN -0.169 8.061 8.230 0.000 0.000 0.443 61 G N -2.375 106.424 108.800 -0.002 0.000 2.464 61 G HA2 -0.190 3.768 3.960 -0.004 0.000 0.217 61 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.217 61 G C 0.052 174.952 174.900 0.001 0.000 1.138 61 G CA 1.100 46.199 45.100 -0.002 0.000 0.793 61 G HN -0.175 8.112 8.290 -0.004 0.000 0.539 62 K N -0.105 120.296 120.400 0.003 0.000 2.520 62 K HA 0.033 4.356 4.320 0.005 0.000 0.205 62 K C -1.053 175.550 176.600 0.006 0.000 1.035 62 K CA -0.590 55.700 56.287 0.006 0.000 1.188 62 K CB -0.323 32.183 32.500 0.009 0.000 0.894 62 K HN -0.634 7.498 8.250 0.002 0.119 0.497 63 Q N -4.038 115.764 119.800 0.004 0.000 2.478 63 Q HA -0.467 3.948 4.340 0.004 -0.072 0.286 63 Q C 0.023 176.026 176.000 0.006 0.000 1.299 63 Q CA 0.788 56.593 55.803 0.004 0.000 0.826 63 Q CB -2.447 26.293 28.738 0.004 0.000 1.199 63 Q HN -0.119 7.950 8.270 0.003 0.203 0.451 64 V N -0.996 118.922 119.914 0.007 0.000 2.469 64 V HA -0.382 3.743 4.120 0.009 0.000 0.251 64 V C 0.756 176.855 176.094 0.008 0.000 1.064 64 V CA 3.513 65.818 62.300 0.009 0.000 1.066 64 V CB -0.002 31.828 31.823 0.011 0.000 0.667 64 V HN -0.096 8.113 8.190 0.006 -0.015 0.461 65 L N -5.627 115.600 121.223 0.007 0.000 2.599 65 L HA 0.014 4.358 4.340 0.007 0.000 0.230 65 L C 0.151 177.024 176.870 0.005 0.000 1.141 65 L CA 0.733 55.576 54.840 0.006 0.000 0.877 65 L CB -1.019 41.044 42.059 0.006 0.000 1.009 65 L HN -0.087 8.147 8.230 0.006 -0.000 0.447 66 E N -3.125 117.078 120.200 0.005 0.000 2.413 66 E HA 0.094 4.446 4.350 0.004 0.000 0.203 66 E C 0.497 177.100 176.600 0.004 0.000 0.957 66 E CA -0.772 55.630 56.400 0.004 0.000 0.950 66 E CB 0.822 30.524 29.700 0.003 0.000 0.957 66 E HN -0.091 7.938 8.360 0.005 0.335 0.497 67 S N 2.124 117.827 115.700 0.004 0.000 2.568 67 S HA -0.079 4.393 4.470 0.003 0.000 0.282 67 S C 0.296 174.899 174.600 0.004 0.000 1.338 67 S CA 0.338 58.540 58.200 0.004 0.000 1.045 67 S CB 0.311 63.514 63.200 0.005 0.000 0.873 67 S HN 0.685 8.889 8.310 0.005 0.109 0.516 68 L N 2.174 123.398 121.223 0.003 0.000 2.558 68 L HA 0.066 4.408 4.340 0.003 0.000 0.225 68 L C 0.056 176.928 176.870 0.003 0.000 1.128 68 L CA 0.955 55.796 54.840 0.003 0.000 0.868 68 L CB -0.510 41.550 42.059 0.001 0.000 1.006 68 L HN 0.526 8.757 8.230 0.002 0.000 0.454 69 T N -5.450 109.105 114.554 0.003 0.000 3.585 69 T HA 0.520 4.872 4.350 0.003 0.000 0.252 69 T C -1.480 173.224 174.700 0.005 0.000 1.382 69 T CA -2.827 59.275 62.100 0.003 0.000 1.584 69 T CB 0.164 69.032 68.868 0.000 0.000 0.892 69 T HN -0.013 8.201 8.240 0.003 0.028 0.671 70 P HA -0.171 4.255 4.420 0.011 0.000 0.220 70 P C 0.972 178.281 177.300 0.014 0.000 1.148 70 P CA 2.139 65.246 63.100 0.011 0.000 0.803 70 P CB -0.306 31.400 31.700 0.011 0.000 0.782 71 A N -1.953 120.874 122.820 0.013 0.000 1.940 71 A HA -0.314 4.018 4.320 0.020 0.000 0.219 71 A C 2.207 179.800 177.584 0.015 0.000 1.176 71 A CA 3.205 55.252 52.037 0.015 0.000 0.631 71 A CB -0.863 18.144 19.000 0.012 0.000 0.814 71 A HN 0.472 8.614 8.150 0.010 0.014 0.446 72 E N -2.229 117.976 120.200 0.009 0.000 2.107 72 E HA -0.235 4.116 4.350 0.002 0.000 0.191 72 E C 2.481 179.088 176.600 0.012 0.000 0.982 72 E CA 2.362 58.765 56.400 0.004 0.000 0.809 72 E CB -0.604 29.094 29.700 -0.003 0.000 0.756 72 E HN -0.468 7.885 8.360 0.007 0.011 0.459 73 V N 0.973 120.896 119.914 0.015 0.000 2.343 73 V HA -0.389 3.743 4.120 0.021 0.000 0.247 73 V C 2.101 178.214 176.094 0.032 0.000 1.051 73 V CA 3.984 66.296 62.300 0.021 0.000 1.036 73 V CB -0.595 31.238 31.823 0.016 0.000 0.654 73 V HN -0.813 7.304 8.190 0.013 0.082 0.451 74 I N -0.103 120.487 120.570 0.033 0.000 2.226 74 I HA -0.229 3.968 4.170 0.045 0.000 0.245 74 I C 2.527 178.682 176.117 0.063 0.000 1.100 74 I CA 1.799 63.127 61.300 0.046 0.000 1.374 74 I CB -1.245 36.782 38.000 0.045 0.000 1.057 74 I HN -0.255 7.972 8.210 0.028 0.000 0.413 75 L N 0.768 122.023 121.223 0.053 0.000 2.013 75 L HA -0.441 3.946 4.340 0.078 0.000 0.212 75 L C 1.461 178.389 176.870 0.095 0.000 1.073 75 L CA 3.766 58.643 54.840 0.062 0.000 0.753 75 L CB -0.805 41.268 42.059 0.023 0.000 0.890 75 L HN -0.076 8.178 8.230 0.040 0.000 0.432 76 A N -3.242 119.624 122.820 0.077 0.000 1.902 76 A HA -0.376 4.040 4.320 0.160 0.000 0.217 76 A C 1.899 179.593 177.584 0.183 0.000 1.181 76 A CA 3.329 55.448 52.037 0.136 0.000 0.623 76 A CB -0.435 18.616 19.000 0.084 0.000 0.818 76 A HN -0.169 8.011 8.150 0.051 0.000 0.443 77 T N -2.404 112.206 114.554 0.094 0.000 2.951 77 T HA -0.249 4.116 4.350 0.024 0.000 0.268 77 T C 1.960 176.666 174.700 0.011 0.000 1.073 77 T CA 3.621 65.742 62.100 0.035 0.000 1.134 77 T CB -0.112 68.760 68.868 0.006 0.000 0.884 77 T HN -0.409 7.876 8.240 0.075 0.000 0.479 78 V N 3.046 123.011 119.914 0.085 0.000 2.323 78 V HA -0.368 3.795 4.120 0.071 0.000 0.244 78 V C 1.126 177.323 176.094 0.172 0.000 1.041 78 V CA 4.251 66.634 62.300 0.138 0.000 1.025 78 V CB -0.777 31.175 31.823 0.215 0.000 0.656 78 V HN 0.009 8.263 8.190 0.106 0.000 0.451 79 Y N 1.072 121.407 120.300 0.058 0.000 1.997 79 Y HA -0.602 3.988 4.550 0.067 0.000 0.265 79 Y C 1.311 177.229 175.900 0.030 0.000 1.193 79 Y CA 3.588 61.717 58.100 0.048 0.000 1.106 79 Y CB -0.504 37.971 38.460 0.024 0.000 0.940 79 Y HN 0.005 8.466 8.280 0.301 0.000 0.494 80 E N -3.199 116.842 120.200 -0.266 0.000 2.150 80 E HA -0.375 3.553 4.350 -0.703 0.000 0.193 80 E C 1.889 178.333 176.600 -0.261 0.000 0.985 80 E CA 2.676 58.825 56.400 -0.418 0.000 0.814 80 E CB -0.530 29.039 29.700 -0.218 0.000 0.752 80 E HN -0.447 7.904 8.360 -0.015 0.000 0.466 81 A N 0.839 123.515 122.820 -0.240 0.000 1.898 81 A HA -0.149 3.981 4.320 -0.316 0.000 0.216 81 A C 2.130 179.627 177.584 -0.144 0.000 1.181 81 A CA 2.940 54.752 52.037 -0.375 0.000 0.620 81 A CB -0.384 18.084 19.000 -0.887 0.000 0.819 81 A HN -0.229 7.787 8.150 -0.210 0.008 0.442 82 L N -1.705 119.583 121.223 0.108 0.000 1.989 82 L HA -0.550 4.071 4.340 0.469 0.000 0.211 82 L C 1.994 178.930 176.870 0.109 0.000 1.071 82 L CA 3.259 58.264 54.840 0.276 0.000 0.749 82 L CB -0.503 41.712 42.059 0.260 0.000 0.890 82 L HN 0.213 8.498 8.230 0.091 0.000 0.431 83 K N -0.590 119.784 120.400 -0.044 0.000 2.009 83 K HA -0.433 3.871 4.320 -0.026 0.000 0.210 83 K C 2.034 178.621 176.600 -0.022 0.000 1.049 83 K CA 3.294 59.535 56.287 -0.078 0.000 0.929 83 K CB -0.248 32.095 32.500 -0.262 0.000 0.714 83 K HN -0.231 7.941 8.250 -0.130 0.000 0.440 84 E N -0.461 119.705 120.200 -0.056 0.000 2.065 84 E HA -0.460 3.876 4.350 -0.023 0.000 0.201 84 E C 2.313 178.941 176.600 0.047 0.000 1.016 84 E CA 3.225 59.612 56.400 -0.022 0.000 0.818 84 E CB -0.130 29.533 29.700 -0.062 0.000 0.749 84 E HN -0.351 7.944 8.360 -0.107 0.000 0.453 85 A N -0.991 121.890 122.820 0.102 0.000 1.940 85 A HA -0.297 4.116 4.320 0.154 0.000 0.219 85 A C 1.980 179.653 177.584 0.150 0.000 1.176 85 A CA 3.124 55.259 52.037 0.164 0.000 0.631 85 A CB -0.377 18.788 19.000 0.275 0.000 0.814 85 A HN -0.144 8.067 8.150 0.101 0.000 0.446 86 L N -8.609 112.717 121.223 0.172 0.000 2.418 86 L HA -0.040 4.609 4.340 0.257 -0.155 0.218 86 L C 0.394 177.414 176.870 0.250 0.000 1.125 86 L CA 0.676 55.667 54.840 0.251 0.000 0.835 86 L CB 0.466 42.702 42.059 0.295 0.000 0.953 86 L HN -0.530 7.762 8.230 0.159 0.033 0.454 87 G N -6.496 102.387 108.800 0.139 0.000 2.935 87 G HA2 -0.168 3.870 3.960 0.131 0.000 0.213 87 G HA3 -0.168 3.825 3.960 0.055 0.000 0.213 87 G C 0.161 175.093 174.900 0.053 0.000 0.984 87 G CA -0.261 44.895 45.100 0.093 0.000 0.790 87 G HN -0.472 7.628 8.290 0.106 0.254 0.538 88 G N 2.043 110.866 108.800 0.038 0.000 4.365 88 G HA2 -0.430 3.533 3.960 0.005 0.000 0.214 88 G HA3 -0.430 3.710 3.960 -0.017 -0.190 0.214 88 G C -2.362 172.545 174.900 0.011 0.000 1.450 88 G CA 0.246 45.350 45.100 0.006 0.000 0.937 88 G HN 0.505 8.821 8.290 0.043 0.000 0.625 89 E N 0.699 120.919 120.200 0.035 0.000 2.393 89 E HA 0.173 4.555 4.350 0.054 0.000 0.273 89 E C -2.348 174.297 176.600 0.076 0.000 0.918 89 E CA -2.900 53.532 56.400 0.053 0.000 0.773 89 E CB 3.099 32.827 29.700 0.047 0.000 1.275 89 E HN -0.511 7.829 8.360 0.037 0.042 0.451 90 A N 1.119 124.003 122.820 0.107 0.000 2.520 90 A HA -0.093 4.355 4.320 0.040 -0.104 0.245 90 A C -0.411 177.209 177.584 0.060 0.000 1.072 90 A CA 0.787 52.869 52.037 0.075 0.000 0.761 90 A CB 0.528 19.625 19.000 0.163 0.000 1.004 90 A HN 0.171 8.403 8.150 0.137 0.000 0.499 91 R N 2.565 123.098 120.500 0.054 0.000 2.888 91 R HA 0.378 4.776 4.340 0.097 0.000 0.266 91 R C -2.066 174.333 176.300 0.165 0.000 1.020 91 R CA -1.303 54.874 56.100 0.129 0.000 0.963 91 R CB 3.829 34.241 30.300 0.188 0.000 1.197 91 R HN 0.281 8.578 8.270 0.044 0.000 0.481 92 L N -1.775 119.473 121.223 0.042 0.000 2.469 92 L HA 0.459 4.415 4.340 -0.640 0.000 0.256 92 L C -2.560 173.747 176.870 -0.938 0.000 1.006 92 L CA -3.514 51.045 54.840 -0.469 0.000 0.832 92 L CB 3.244 45.170 42.059 -0.222 0.000 1.421 92 L HN 0.223 8.481 8.230 0.047 0.000 0.410 93 P HA -0.137 3.638 4.420 -1.073 0.000 0.270 93 P C -1.243 175.884 177.300 -0.289 0.000 1.227 93 P CA -0.818 61.683 63.100 -0.998 0.000 0.788 93 P CB 0.503 31.439 31.700 -1.272 0.000 0.926 94 V N 1.328 121.140 119.914 -0.171 0.000 2.372 94 V HA -0.039 4.094 4.120 0.023 0.000 0.261 94 V C -0.484 175.721 176.094 0.185 0.000 1.055 94 V CA -0.378 61.933 62.300 0.017 0.000 0.930 94 V CB -0.548 31.284 31.823 0.015 0.000 1.031 94 V HN -0.406 7.858 8.190 -0.250 -0.225 0.479 95 L N 7.693 129.034 121.223 0.197 0.000 2.380 95 L HA -0.075 4.668 4.340 0.220 -0.271 0.273 95 L C -0.203 176.729 176.870 0.103 0.000 1.138 95 L CA -0.286 54.658 54.840 0.173 0.000 0.832 95 L CB -0.755 41.381 42.059 0.128 0.000 1.124 95 L HN -0.086 8.244 8.230 0.167 0.000 0.454 96 K N 1.287 121.730 120.400 0.072 0.000 2.056 96 K HA 0.260 4.605 4.320 0.042 0.000 0.252 96 K C -0.771 175.836 176.600 0.011 0.000 0.900 96 K CA -0.915 55.399 56.287 0.044 0.000 0.763 96 K CB 1.614 34.146 32.500 0.052 0.000 1.558 96 K HN 0.647 9.469 8.250 0.063 -0.534 0.448 97 D N -2.985 117.419 120.400 0.008 0.000 2.162 97 D HA -0.194 4.438 4.640 -0.012 0.000 0.203 97 D C -0.467 175.819 176.300 -0.024 0.000 0.967 97 D CA 2.891 56.886 54.000 -0.008 0.000 0.840 97 D CB 0.063 40.861 40.800 -0.002 0.000 0.972 97 D HN 0.298 8.677 8.370 0.015 0.000 0.482 98 R N -1.311 119.179 120.500 -0.015 0.000 2.343 98 R HA 0.163 4.474 4.340 -0.048 0.000 0.320 98 R C -1.517 174.767 176.300 -0.027 0.000 0.956 98 R CA -1.029 55.054 56.100 -0.028 0.000 0.836 98 R CB 1.055 31.350 30.300 -0.010 0.000 1.151 98 R HN -0.859 7.411 8.270 -0.001 0.000 0.450 99 N N 5.388 124.024 118.700 -0.106 0.000 2.576 99 N HA 0.207 5.235 4.740 -0.011 -0.294 0.269 99 N C -2.418 172.905 175.510 -0.312 0.000 1.058 99 N CA -0.243 52.688 53.050 -0.199 0.000 0.860 99 N CB 2.778 41.006 38.487 -0.432 0.000 1.249 99 N HN -0.127 8.170 8.380 -0.138 0.000 0.525 100 L N 4.563 125.740 121.223 -0.078 0.000 2.342 100 L HA 0.617 5.084 4.340 -0.091 -0.181 0.276 100 L C -2.812 174.228 176.870 0.282 0.000 0.997 100 L CA -1.154 53.692 54.840 0.011 0.000 0.838 100 L CB 2.563 44.660 42.059 0.063 0.000 1.224 100 L HN 0.530 9.451 8.230 0.072 -0.648 0.416 101 W N 4.333 125.677 121.300 0.073 0.000 2.702 101 W HA 0.665 5.541 4.660 0.048 -0.187 0.331 101 W C -1.227 175.458 176.519 0.276 0.000 1.049 101 W CA -3.720 53.683 57.345 0.096 0.000 1.230 101 W CB 2.513 31.997 29.460 0.039 0.000 1.408 101 W HN 0.913 9.193 8.180 0.168 0.000 0.492 102 F N 0.457 120.537 119.950 0.218 0.000 2.384 102 F HA 0.355 5.093 4.527 0.115 -0.142 0.338 102 F C -0.496 175.369 175.800 0.108 0.000 1.103 102 F CA -2.499 55.578 58.000 0.129 0.000 1.157 102 F CB 1.185 40.240 39.000 0.091 0.000 1.167 102 F HN 0.366 8.932 8.300 0.443 0.000 0.529 103 L N 2.229 123.583 121.223 0.217 0.000 2.295 103 L HA 0.847 5.642 4.340 0.104 -0.392 0.285 103 L C -0.592 176.306 176.870 0.046 0.000 1.035 103 L CA -1.604 53.298 54.840 0.104 0.000 0.806 103 L CB 0.275 42.368 42.059 0.056 0.000 1.214 103 L HN 0.547 8.870 8.230 0.154 0.000 0.426 104 V N -3.602 116.297 119.914 -0.025 0.000 3.102 104 V HA 0.831 4.917 4.120 -0.056 0.000 0.312 104 V C -1.276 174.592 176.094 -0.377 0.000 1.135 104 V CA -3.779 58.441 62.300 -0.134 0.000 1.022 104 V CB 3.618 35.404 31.823 -0.062 0.000 1.056 104 V HN 0.464 8.628 8.190 -0.044 0.000 0.436 105 G N -1.216 107.272 108.800 -0.520 0.000 2.368 105 G HA2 0.042 3.787 3.960 -0.358 0.000 0.302 105 G HA3 0.042 3.420 3.960 -0.969 0.000 0.302 105 G C -2.237 172.597 174.900 -0.110 0.000 1.329 105 G CA -0.114 44.669 45.100 -0.528 0.000 0.935 105 G HN -0.210 7.870 8.290 -0.350 0.000 0.590 106 L N -1.625 119.588 121.223 -0.018 0.000 2.453 106 L HA 0.081 4.595 4.340 0.135 -0.094 0.261 106 L C 1.337 178.225 176.870 0.030 0.000 1.179 106 L CA -0.477 54.408 54.840 0.076 0.000 0.813 106 L CB 0.590 42.699 42.059 0.084 0.000 1.110 106 L HN 0.366 8.560 8.230 -0.059 0.000 0.466 107 Q N 2.552 122.374 119.800 0.037 0.000 2.181 107 Q HA -0.363 3.986 4.340 0.013 0.000 0.205 107 Q C 1.927 177.933 176.000 0.010 0.000 0.980 107 Q CA 3.229 59.043 55.803 0.019 0.000 0.862 107 Q CB 0.096 28.847 28.738 0.021 0.000 0.905 107 Q HN 0.138 8.326 8.270 0.049 0.111 0.429 108 G N -4.831 103.977 108.800 0.014 0.000 2.848 108 G HA2 -0.128 3.839 3.960 0.013 0.000 0.208 108 G HA3 -0.128 3.837 3.960 0.010 0.000 0.208 108 G C 0.094 174.996 174.900 0.005 0.000 1.152 108 G CA 0.104 45.211 45.100 0.010 0.000 0.789 108 G HN 0.393 8.673 8.290 0.020 0.022 0.531 109 S N -1.131 114.567 115.700 -0.003 0.000 2.527 109 S HA -0.090 4.375 4.470 -0.010 0.000 0.222 109 S C 1.081 175.674 174.600 -0.010 0.000 0.985 109 S CA 0.297 58.489 58.200 -0.014 0.000 0.921 109 S CB 0.328 63.505 63.200 -0.038 0.000 0.772 109 S HN -0.691 7.533 8.310 -0.004 0.084 0.529 110 G N 2.838 111.634 108.800 -0.005 0.000 2.147 110 G HA2 -0.428 3.533 3.960 0.000 0.000 0.244 110 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.244 110 G C 0.171 175.066 174.900 -0.009 0.000 1.005 110 G CA 0.610 45.708 45.100 -0.003 0.000 0.713 110 G HN -0.353 7.831 8.290 -0.003 0.103 0.515 111 K N -0.035 120.355 120.400 -0.018 0.000 2.044 111 K HA -0.390 3.915 4.320 -0.025 0.000 0.210 111 K C 1.147 177.740 176.600 -0.012 0.000 1.049 111 K CA 3.947 60.221 56.287 -0.022 0.000 0.927 111 K CB -0.032 32.448 32.500 -0.034 0.000 0.713 111 K HN -0.738 7.472 8.250 -0.020 0.028 0.443 112 T N -1.013 113.536 114.554 -0.009 0.000 2.777 112 T HA -0.242 4.213 4.350 -0.007 -0.109 0.266 112 T C 2.193 176.892 174.700 -0.003 0.000 1.040 112 T CA 4.700 66.797 62.100 -0.006 0.000 1.141 112 T CB -0.798 68.067 68.868 -0.006 0.000 0.868 112 T HN 0.283 8.518 8.240 -0.008 0.000 0.444 113 T N 2.381 116.934 114.554 -0.002 0.000 2.867 113 T HA -0.249 4.102 4.350 0.002 0.000 0.268 113 T C 1.735 176.434 174.700 -0.002 0.000 1.057 113 T CA 5.060 67.160 62.100 0.001 0.000 1.136 113 T CB -0.659 68.211 68.868 0.004 0.000 0.874 113 T HN -0.078 8.161 8.240 -0.002 0.000 0.466 114 T N 4.260 118.810 114.554 -0.006 0.000 2.746 114 T HA -0.374 3.963 4.350 -0.022 0.000 0.267 114 T C 1.116 175.805 174.700 -0.017 0.000 1.039 114 T CA 4.948 67.038 62.100 -0.017 0.000 1.142 114 T CB -0.573 68.284 68.868 -0.017 0.000 0.866 114 T HN -0.092 8.144 8.240 -0.006 0.000 0.444 115 A N 0.293 123.112 122.820 -0.001 0.000 1.908 115 A HA -0.293 4.042 4.320 0.024 0.000 0.218 115 A C 1.546 179.137 177.584 0.013 0.000 1.181 115 A CA 3.163 55.208 52.037 0.013 0.000 0.627 115 A CB -1.037 17.971 19.000 0.013 0.000 0.818 115 A HN -0.259 7.890 8.150 -0.001 0.000 0.445 116 A N -2.290 120.534 122.820 0.007 0.000 1.898 116 A HA -0.294 4.034 4.320 0.013 0.000 0.216 116 A C 2.200 179.794 177.584 0.017 0.000 1.181 116 A CA 3.133 55.177 52.037 0.011 0.000 0.620 116 A CB -0.771 18.233 19.000 0.008 0.000 0.819 116 A HN -0.533 7.619 8.150 0.004 0.000 0.442 117 K N -1.476 118.928 120.400 0.007 0.000 2.148 117 K HA -0.271 4.064 4.320 0.025 0.000 0.204 117 K C 2.284 178.888 176.600 0.006 0.000 1.050 117 K CA 3.119 59.411 56.287 0.009 0.000 0.942 117 K CB -0.055 32.442 32.500 -0.005 0.000 0.724 117 K HN -0.332 7.918 8.250 -0.000 0.000 0.446 118 L N -0.578 120.627 121.223 -0.029 0.000 2.093 118 L HA -0.339 3.907 4.340 -0.157 0.000 0.208 118 L C 0.665 177.634 176.870 0.166 0.000 1.085 118 L CA 2.585 57.407 54.840 -0.030 0.000 0.755 118 L CB -0.400 41.624 42.059 -0.058 0.000 0.904 118 L HN 0.126 8.337 8.230 -0.032 0.000 0.435 119 A N -0.710 122.174 122.820 0.107 0.000 1.902 119 A HA -0.304 4.094 4.320 0.130 0.000 0.217 119 A C 1.897 179.543 177.584 0.103 0.000 1.181 119 A CA 3.212 55.312 52.037 0.104 0.000 0.623 119 A CB -0.915 18.110 19.000 0.041 0.000 0.818 119 A HN -0.243 7.947 8.150 0.065 0.000 0.443 120 L N -0.576 120.692 121.223 0.074 0.000 2.017 120 L HA -0.357 4.004 4.340 0.034 0.000 0.208 120 L C 1.392 178.290 176.870 0.047 0.000 1.073 120 L CA 2.977 57.849 54.840 0.052 0.000 0.745 120 L CB -0.649 41.436 42.059 0.044 0.000 0.894 120 L HN -0.420 7.848 8.230 0.064 0.000 0.432 121 Y N -0.403 119.865 120.300 -0.053 0.000 2.069 121 Y HA -0.630 3.870 4.550 -0.083 0.000 0.278 121 Y C 1.626 177.439 175.900 -0.146 0.000 1.175 121 Y CA 4.547 62.574 58.100 -0.123 0.000 1.134 121 Y CB -0.020 38.311 38.460 -0.215 0.000 0.965 121 Y HN -0.286 8.099 8.280 0.175 0.000 0.498 122 Y N -3.540 116.807 120.300 0.080 0.000 2.314 122 Y HA -0.432 4.105 4.550 -0.020 0.000 0.293 122 Y C 2.051 177.912 175.900 -0.065 0.000 1.129 122 Y CA 3.725 61.833 58.100 0.012 0.000 1.201 122 Y CB -0.241 38.258 38.460 0.066 0.000 0.999 122 Y HN -0.258 8.177 8.280 0.259 0.000 0.541 123 K N 1.295 121.740 120.400 0.076 0.000 2.063 123 K HA -0.313 4.420 4.320 0.023 -0.398 0.208 123 K C 3.147 179.726 176.600 -0.035 0.000 1.048 123 K CA 3.050 59.347 56.287 0.015 0.000 0.928 123 K CB -0.254 32.251 32.500 0.009 0.000 0.713 123 K HN 0.001 8.307 8.250 0.093 0.000 0.442 124 G N -3.829 104.916 108.800 -0.092 0.000 2.535 124 G HA2 -0.118 3.744 3.960 -0.165 0.000 0.218 124 G HA3 -0.118 3.792 3.960 -0.084 0.000 0.218 124 G C 0.466 175.276 174.900 -0.150 0.000 1.122 124 G CA 1.113 46.136 45.100 -0.128 0.000 0.769 124 G HN -0.309 7.918 8.290 -0.104 0.000 0.549 125 K N -1.147 119.163 120.400 -0.150 0.000 2.440 125 K HA 0.132 4.393 4.320 -0.097 0.000 0.206 125 K C -0.259 176.343 176.600 0.004 0.000 1.025 125 K CA -1.554 54.678 56.287 -0.091 0.000 1.135 125 K CB 0.178 32.601 32.500 -0.127 0.000 0.856 125 K HN -0.646 7.340 8.250 -0.139 0.181 0.502 126 G N -0.380 108.421 108.800 0.002 0.000 2.175 126 G HA2 -0.408 3.560 3.960 0.012 0.000 0.244 126 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.244 126 G C -0.630 174.280 174.900 0.016 0.000 0.982 126 G CA 0.303 45.409 45.100 0.010 0.000 0.641 126 G HN 0.105 8.388 8.290 -0.012 0.000 0.527 127 R N -1.240 119.282 120.500 0.035 0.000 2.546 127 R HA 0.040 4.428 4.340 -0.016 -0.058 0.266 127 R C -0.259 176.031 176.300 -0.016 0.000 1.086 127 R CA -2.193 53.908 56.100 0.002 0.000 1.160 127 R CB 0.822 31.118 30.300 -0.007 0.000 1.138 127 R HN -0.175 8.133 8.270 0.064 0.000 0.567 128 R N -0.712 119.760 120.500 -0.046 0.000 2.505 128 R HA 0.462 4.783 4.340 -0.031 0.000 0.284 128 R C -2.275 173.984 176.300 -0.067 0.000 1.324 128 R CA -2.176 53.897 56.100 -0.045 0.000 1.432 128 R CB 0.650 30.926 30.300 -0.041 0.000 1.107 128 R HN 0.742 9.578 8.270 -0.066 -0.606 0.587 129 P HA 0.809 5.372 4.420 -0.129 -0.221 0.278 129 P C -1.883 175.379 177.300 -0.064 0.000 1.258 129 P CA -1.444 61.605 63.100 -0.085 0.000 0.811 129 P CB 1.445 33.110 31.700 -0.057 0.000 1.063 130 L N 0.569 121.747 121.223 -0.076 0.000 2.439 130 L HA 0.425 4.741 4.340 -0.040 0.000 0.270 130 L C -2.159 174.684 176.870 -0.046 0.000 0.972 130 L CA -0.846 53.963 54.840 -0.052 0.000 0.836 130 L CB 3.694 45.723 42.059 -0.051 0.000 1.255 130 L HN 0.298 8.467 8.230 -0.102 0.000 0.404 131 L N 5.859 127.064 121.223 -0.029 0.000 2.350 131 L HA 0.471 4.959 4.340 -0.021 -0.161 0.275 131 L C -1.172 175.684 176.870 -0.022 0.000 1.099 131 L CA -0.364 54.464 54.840 -0.021 0.000 0.808 131 L CB 1.588 43.639 42.059 -0.013 0.000 1.149 131 L HN 0.452 8.668 8.230 -0.025 0.000 0.442 132 V N 2.691 122.591 119.914 -0.024 0.000 2.407 132 V HA 0.469 4.952 4.120 -0.027 -0.378 0.291 132 V C -1.788 174.282 176.094 -0.040 0.000 1.018 132 V CA -1.693 60.588 62.300 -0.030 0.000 0.842 132 V CB 2.080 33.884 31.823 -0.032 0.000 0.996 132 V HN 0.422 8.599 8.190 -0.022 0.000 0.426 133 A N 7.514 130.313 122.820 -0.035 0.000 2.391 133 A HA 0.400 4.697 4.320 -0.039 0.000 0.316 133 A C -1.463 176.093 177.584 -0.046 0.000 1.381 133 A CA -1.452 50.563 52.037 -0.037 0.000 0.998 133 A CB 0.294 19.279 19.000 -0.025 0.000 1.147 133 A HN 0.869 9.002 8.150 -0.029 0.000 0.545 134 A N 2.291 125.070 122.820 -0.068 0.000 2.423 134 A HA 0.105 4.384 4.320 -0.068 0.000 0.246 134 A C -1.235 176.310 177.584 -0.066 0.000 1.278 134 A CA -0.733 51.254 52.037 -0.084 0.000 0.903 134 A CB 0.643 19.553 19.000 -0.150 0.000 0.997 134 A HN 0.071 8.175 8.150 -0.077 0.000 0.510 135 D N -1.047 119.325 120.400 -0.046 0.000 2.342 135 D HA -0.118 4.504 4.640 -0.030 0.000 0.260 135 D C 0.431 176.718 176.300 -0.022 0.000 1.278 135 D CA 0.194 54.176 54.000 -0.030 0.000 0.910 135 D CB 0.259 41.047 40.800 -0.019 0.000 1.079 135 D HN -0.371 7.974 8.370 -0.042 0.000 0.496 136 T N 4.586 119.128 114.554 -0.020 0.000 3.129 136 T HA 0.042 4.383 4.350 -0.015 0.000 0.251 136 T C 0.906 175.601 174.700 -0.009 0.000 1.117 136 T CA 1.031 63.123 62.100 -0.014 0.000 1.034 136 T CB -0.112 68.749 68.868 -0.012 0.000 0.968 136 T HN 0.602 8.830 8.240 -0.021 0.000 0.526 137 Q N 1.896 121.692 119.800 -0.007 0.000 2.442 137 Q HA 0.118 4.456 4.340 -0.004 0.000 0.228 137 Q C 0.136 176.134 176.000 -0.004 0.000 0.902 137 Q CA 1.113 56.913 55.803 -0.004 0.000 0.933 137 Q CB 1.449 30.186 28.738 -0.002 0.000 1.071 137 Q HN -0.115 8.398 8.270 -0.008 -0.248 0.562 138 R N -0.259 120.238 120.500 -0.004 0.000 2.352 138 R HA 0.475 4.813 4.340 -0.002 0.000 0.304 138 R C -1.863 174.434 176.300 -0.005 0.000 1.104 138 R CA -2.709 53.389 56.100 -0.003 0.000 0.991 138 R CB 0.289 30.589 30.300 -0.001 0.000 1.140 138 R HN -0.691 7.761 8.270 -0.006 -0.185 0.540 139 P HA -0.229 4.187 4.420 -0.006 0.000 0.216 139 P C 0.742 178.039 177.300 -0.005 0.000 1.150 139 P CA 2.805 65.902 63.100 -0.005 0.000 0.843 139 P CB 0.213 31.911 31.700 -0.004 0.000 0.787 140 A N -4.214 118.604 122.820 -0.003 0.000 1.933 140 A HA -0.158 4.160 4.320 -0.002 0.000 0.218 140 A C 2.152 179.735 177.584 -0.003 0.000 1.175 140 A CA 2.693 54.728 52.037 -0.002 0.000 0.628 140 A CB -0.847 18.152 19.000 -0.001 0.000 0.814 140 A HN 0.264 8.400 8.150 -0.002 0.013 0.444 141 A N -2.098 120.720 122.820 -0.004 0.000 1.930 141 A HA -0.254 4.064 4.320 -0.004 0.000 0.217 141 A C 1.937 179.516 177.584 -0.008 0.000 1.175 141 A CA 2.713 54.747 52.037 -0.005 0.000 0.627 141 A CB -0.507 18.489 19.000 -0.006 0.000 0.815 141 A HN -0.459 7.689 8.150 -0.004 0.000 0.443 142 R N -2.366 118.128 120.500 -0.010 0.000 2.073 142 R HA -0.337 3.995 4.340 -0.014 0.000 0.229 142 R C 2.544 178.839 176.300 -0.009 0.000 1.120 142 R CA 3.534 59.627 56.100 -0.012 0.000 0.967 142 R CB -0.163 30.130 30.300 -0.013 0.000 0.862 142 R HN -0.582 7.683 8.270 -0.009 0.000 0.436 143 E N -0.444 119.752 120.200 -0.006 0.000 2.110 143 E HA -0.390 3.957 4.350 -0.005 0.000 0.193 143 E C 2.034 178.632 176.600 -0.004 0.000 0.988 143 E CA 3.099 59.496 56.400 -0.005 0.000 0.804 143 E CB -0.500 29.197 29.700 -0.004 0.000 0.745 143 E HN -0.135 8.221 8.360 -0.006 0.000 0.458 144 Q N -0.183 119.615 119.800 -0.004 0.000 2.061 144 Q HA -0.307 4.032 4.340 -0.001 0.000 0.204 144 Q C 2.302 178.300 176.000 -0.003 0.000 0.984 144 Q CA 3.116 58.917 55.803 -0.002 0.000 0.846 144 Q CB -0.025 28.712 28.738 -0.002 0.000 0.902 144 Q HN -0.442 7.826 8.270 -0.004 0.000 0.421 145 L N -0.762 120.458 121.223 -0.005 0.000 2.093 145 L HA -0.234 4.103 4.340 -0.004 0.000 0.208 145 L C 1.343 178.210 176.870 -0.005 0.000 1.085 145 L CA 2.580 57.416 54.840 -0.006 0.000 0.755 145 L CB -0.437 41.616 42.059 -0.010 0.000 0.904 145 L HN -0.686 7.540 8.230 -0.007 0.000 0.435 146 R N -0.785 119.711 120.500 -0.006 0.000 2.094 146 R HA -0.451 3.886 4.340 -0.006 0.000 0.239 146 R C 2.227 178.525 176.300 -0.003 0.000 1.137 146 R CA 3.761 59.858 56.100 -0.006 0.000 0.943 146 R CB -0.200 30.096 30.300 -0.006 0.000 0.850 146 R HN -0.338 7.928 8.270 -0.007 0.000 0.433 147 L N -0.811 120.410 121.223 -0.002 0.000 2.012 147 L HA -0.247 4.092 4.340 -0.001 0.000 0.210 147 L C 2.063 178.934 176.870 0.000 0.000 1.073 147 L CA 2.890 57.730 54.840 -0.001 0.000 0.748 147 L CB -0.233 41.826 42.059 -0.000 0.000 0.891 147 L HN -0.415 7.814 8.230 -0.003 0.000 0.431 148 L N -2.686 118.537 121.223 0.000 0.000 2.046 148 L HA -0.450 3.892 4.340 0.003 0.000 0.208 148 L C 2.207 179.079 176.870 0.002 0.000 1.077 148 L CA 3.274 58.115 54.840 0.002 0.000 0.747 148 L CB -0.626 41.434 42.059 0.002 0.000 0.896 148 L HN -0.359 7.870 8.230 -0.000 0.000 0.432 149 G N -2.563 106.237 108.800 0.000 0.000 2.422 149 G HA2 -0.421 3.600 3.960 -0.003 0.000 0.218 149 G HA3 -0.421 3.539 3.960 0.001 0.000 0.218 149 G C 0.997 175.896 174.900 -0.000 0.000 1.146 149 G CA 1.832 46.931 45.100 -0.001 0.000 0.769 149 G HN 0.100 8.390 8.290 -0.001 0.000 0.547 150 E N 1.871 122.070 120.200 -0.001 0.000 2.077 150 E HA -0.273 4.076 4.350 -0.002 0.000 0.193 150 E C 2.709 179.309 176.600 0.001 0.000 0.989 150 E CA 2.860 59.260 56.400 -0.001 0.000 0.800 150 E CB -0.154 29.546 29.700 -0.001 0.000 0.746 150 E HN -0.457 7.902 8.360 -0.001 0.000 0.452 151 K N -2.648 117.753 120.400 0.002 0.000 2.288 151 K HA -0.183 4.139 4.320 0.003 0.000 0.201 151 K C 1.667 178.270 176.600 0.005 0.000 1.048 151 K CA 2.191 58.481 56.287 0.004 0.000 0.956 151 K CB 0.403 32.906 32.500 0.005 0.000 0.746 151 K HN -0.386 7.781 8.250 0.002 0.084 0.461 152 V N -7.984 111.934 119.914 0.006 0.000 3.621 152 V HA 0.153 4.278 4.120 0.008 0.000 0.285 152 V C 0.422 176.519 176.094 0.005 0.000 1.346 152 V CA -0.812 61.493 62.300 0.008 0.000 1.104 152 V CB 0.112 31.942 31.823 0.012 0.000 0.913 152 V HN -0.530 7.664 8.190 0.005 0.000 0.432 153 G N 0.768 109.570 108.800 0.002 0.000 2.246 153 G HA2 -0.382 3.578 3.960 -0.001 0.000 0.273 153 G HA3 -0.382 3.577 3.960 -0.001 0.000 0.273 153 G C -0.985 173.914 174.900 -0.002 0.000 1.055 153 G CA 1.009 46.108 45.100 -0.001 0.000 0.851 153 G HN -0.493 7.632 8.290 0.002 0.166 0.500 154 V N 0.167 120.080 119.914 -0.002 0.000 2.656 154 V HA 0.397 4.513 4.120 -0.007 0.000 0.307 154 V C -2.264 173.825 176.094 -0.008 0.000 1.051 154 V CA -3.552 58.745 62.300 -0.005 0.000 0.893 154 V CB 2.941 34.764 31.823 -0.001 0.000 0.999 154 V HN -0.487 7.702 8.190 -0.001 0.000 0.426 155 P HA 0.084 4.497 4.420 -0.011 0.000 0.272 155 P C -1.907 175.384 177.300 -0.014 0.000 1.223 155 P CA -0.410 62.682 63.100 -0.013 0.000 0.784 155 P CB 0.591 32.282 31.700 -0.015 0.000 0.923 156 V N 0.410 120.317 119.914 -0.013 0.000 2.588 156 V HA 0.585 4.910 4.120 -0.016 -0.215 0.304 156 V C -0.604 175.482 176.094 -0.014 0.000 1.042 156 V CA -1.422 60.870 62.300 -0.014 0.000 0.877 156 V CB 2.992 34.808 31.823 -0.011 0.000 0.996 156 V HN 0.032 8.215 8.190 -0.012 0.000 0.425 157 L N 8.397 129.611 121.223 -0.016 0.000 2.298 157 L HA 0.494 4.826 4.340 -0.013 0.000 0.284 157 L C -1.907 174.953 176.870 -0.017 0.000 1.013 157 L CA -1.356 53.475 54.840 -0.015 0.000 0.824 157 L CB 3.029 45.079 42.059 -0.015 0.000 1.221 157 L HN 0.692 8.911 8.230 -0.018 0.000 0.418 158 E N 7.240 127.431 120.200 -0.015 0.000 2.174 158 E HA 0.241 4.580 4.350 -0.019 0.000 0.282 158 E C -0.400 176.191 176.600 -0.015 0.000 0.992 158 E CA -1.466 54.924 56.400 -0.016 0.000 0.803 158 E CB 1.258 30.950 29.700 -0.013 0.000 1.090 158 E HN 0.414 8.766 8.360 -0.013 0.000 0.396 159 V N 0.966 120.868 119.914 -0.019 0.000 3.096 159 V HA 0.051 4.266 4.120 -0.014 -0.103 0.306 159 V C -0.698 175.388 176.094 -0.013 0.000 1.088 159 V CA -0.423 61.867 62.300 -0.017 0.000 1.129 159 V CB 0.631 32.440 31.823 -0.023 0.000 1.014 159 V HN -0.045 8.131 8.190 -0.023 0.000 0.486 160 M N 1.671 121.265 119.600 -0.010 0.000 2.291 160 M HA 0.078 4.554 4.480 -0.007 0.000 0.324 160 M C -0.155 176.140 176.300 -0.007 0.000 1.148 160 M CA 0.247 55.543 55.300 -0.007 0.000 1.104 160 M CB 1.289 33.886 32.600 -0.005 0.000 1.483 160 M HN 0.297 8.910 8.290 -0.009 -0.328 0.467 161 D N 0.722 121.118 120.400 -0.006 0.000 2.531 161 D HA -0.350 4.460 4.640 -0.006 -0.174 0.239 161 D C 1.584 177.882 176.300 -0.004 0.000 1.144 161 D CA 1.913 55.910 54.000 -0.005 0.000 0.869 161 D CB -0.336 40.462 40.800 -0.004 0.000 1.160 161 D HN 0.101 8.467 8.370 -0.005 0.000 0.484 162 G N 4.116 112.914 108.800 -0.004 0.000 2.166 162 G HA2 -0.520 3.439 3.960 -0.001 0.000 0.260 162 G HA3 -0.520 3.439 3.960 -0.002 0.000 0.260 162 G C -0.542 174.357 174.900 -0.001 0.000 0.986 162 G CA 0.397 45.495 45.100 -0.002 0.000 0.683 162 G HN 0.284 8.571 8.290 -0.005 0.000 0.527 163 E N 0.321 120.519 120.200 -0.003 0.000 2.414 163 E HA -0.053 4.297 4.350 -0.000 0.000 0.263 163 E C -0.361 176.240 176.600 0.001 0.000 1.000 163 E CA 0.149 56.548 56.400 -0.001 0.000 0.914 163 E CB 1.333 31.031 29.700 -0.004 0.000 0.948 163 E HN -0.667 7.659 8.360 -0.005 0.031 0.444 164 S N 5.842 121.544 115.700 0.005 0.000 2.579 164 S HA 0.111 4.586 4.470 0.009 0.000 0.275 164 S C 0.080 174.688 174.600 0.012 0.000 1.345 164 S CA -1.456 56.750 58.200 0.009 0.000 1.031 164 S CB -0.467 62.739 63.200 0.010 0.000 0.892 164 S HN 0.176 8.489 8.310 0.004 0.000 0.529 165 P HA -0.245 4.191 4.420 0.027 0.000 0.218 165 P C 1.450 178.769 177.300 0.031 0.000 1.149 165 P CA 2.374 65.492 63.100 0.030 0.000 0.817 165 P CB 0.082 31.809 31.700 0.045 0.000 0.785 166 E N -2.605 117.610 120.200 0.025 0.000 2.106 166 E HA -0.310 4.057 4.350 0.027 0.000 0.192 166 E C 2.013 178.624 176.600 0.018 0.000 0.984 166 E CA 3.972 60.386 56.400 0.023 0.000 0.806 166 E CB -1.020 28.691 29.700 0.018 0.000 0.750 166 E HN 0.335 8.697 8.360 0.023 0.013 0.458 167 S N 0.780 116.488 115.700 0.014 0.000 2.368 167 S HA -0.171 4.305 4.470 0.009 0.000 0.224 167 S C 1.869 176.474 174.600 0.009 0.000 1.029 167 S CA 3.376 61.582 58.200 0.010 0.000 0.988 167 S CB -0.571 62.633 63.200 0.006 0.000 0.838 167 S HN -0.484 7.834 8.310 0.013 0.000 0.462 168 I N 2.794 123.371 120.570 0.011 0.000 2.208 168 I HA -0.544 3.628 4.170 0.003 0.000 0.245 168 I C 1.498 177.625 176.117 0.017 0.000 1.097 168 I CA 4.044 65.350 61.300 0.009 0.000 1.363 168 I CB -0.472 37.531 38.000 0.005 0.000 1.051 168 I HN -0.133 8.084 8.210 0.011 0.000 0.413 169 R N -0.736 119.780 120.500 0.027 0.000 2.083 169 R HA -0.492 3.871 4.340 0.039 0.000 0.237 169 R C 2.137 178.449 176.300 0.020 0.000 1.137 169 R CA 3.976 60.095 56.100 0.032 0.000 0.951 169 R CB -0.228 30.094 30.300 0.037 0.000 0.851 169 R HN -0.097 8.191 8.270 0.029 0.000 0.434 170 R N -1.190 119.319 120.500 0.015 0.000 2.091 170 R HA -0.321 4.025 4.340 0.010 0.000 0.238 170 R C 2.320 178.623 176.300 0.006 0.000 1.136 170 R CA 3.212 59.318 56.100 0.009 0.000 0.959 170 R CB -0.338 29.966 30.300 0.008 0.000 0.856 170 R HN -0.345 7.862 8.270 0.015 0.072 0.437 171 R N -2.336 118.167 120.500 0.005 0.000 2.093 171 R HA -0.157 4.183 4.340 0.000 0.000 0.224 171 R C 2.590 178.890 176.300 -0.000 0.000 1.101 171 R CA 3.124 59.225 56.100 0.001 0.000 0.979 171 R CB 0.006 30.305 30.300 -0.001 0.000 0.877 171 R HN -0.336 7.938 8.270 0.006 0.000 0.441 172 V N 0.318 120.233 119.914 0.003 0.000 2.343 172 V HA -0.487 3.631 4.120 -0.004 0.000 0.247 172 V C 1.365 177.459 176.094 -0.001 0.000 1.051 172 V CA 4.436 66.736 62.300 0.001 0.000 1.036 172 V CB -0.444 31.386 31.823 0.011 0.000 0.654 172 V HN 0.114 8.308 8.190 0.006 0.000 0.451 173 E N -0.108 120.094 120.200 0.003 0.000 2.077 173 E HA -0.429 3.920 4.350 -0.002 0.000 0.193 173 E C 2.015 178.613 176.600 -0.004 0.000 0.989 173 E CA 3.512 59.913 56.400 0.000 0.000 0.800 173 E CB -0.204 29.499 29.700 0.005 0.000 0.746 173 E HN -0.343 7.945 8.360 0.007 0.077 0.452 174 E N -0.484 119.715 120.200 -0.003 0.000 2.058 174 E HA -0.364 3.984 4.350 -0.004 0.000 0.194 174 E C 1.883 178.479 176.600 -0.007 0.000 0.997 174 E CA 3.185 59.583 56.400 -0.004 0.000 0.801 174 E CB -0.048 29.650 29.700 -0.003 0.000 0.746 174 E HN -0.104 8.256 8.360 -0.001 0.000 0.450 175 K N -0.972 119.422 120.400 -0.009 0.000 2.062 175 K HA -0.248 4.065 4.320 -0.011 0.000 0.205 175 K C 2.159 178.749 176.600 -0.016 0.000 1.051 175 K CA 3.093 59.373 56.287 -0.012 0.000 0.941 175 K CB -0.044 32.449 32.500 -0.012 0.000 0.719 175 K HN -0.518 7.728 8.250 -0.008 0.000 0.440 176 A N -1.582 121.227 122.820 -0.018 0.000 1.933 176 A HA -0.348 3.954 4.320 -0.030 0.000 0.218 176 A C 1.668 179.238 177.584 -0.023 0.000 1.175 176 A CA 3.304 55.325 52.037 -0.025 0.000 0.628 176 A CB -0.569 18.414 19.000 -0.029 0.000 0.814 176 A HN 0.013 8.153 8.150 -0.016 0.000 0.444 177 R N -1.176 119.314 120.500 -0.017 0.000 2.073 177 R HA -0.247 4.083 4.340 -0.016 0.000 0.229 177 R C 2.609 178.901 176.300 -0.013 0.000 1.120 177 R CA 3.097 59.189 56.100 -0.014 0.000 0.967 177 R CB 0.084 30.378 30.300 -0.010 0.000 0.862 177 R HN -0.263 7.998 8.270 -0.014 0.000 0.436 178 L N -2.367 118.849 121.223 -0.012 0.000 2.141 178 L HA -0.229 4.105 4.340 -0.010 0.000 0.209 178 L C 1.421 178.284 176.870 -0.013 0.000 1.094 178 L CA 2.149 56.983 54.840 -0.011 0.000 0.763 178 L CB 0.300 42.354 42.059 -0.009 0.000 0.908 178 L HN -0.169 8.054 8.230 -0.012 0.000 0.437 179 E N -5.395 114.796 120.200 -0.016 0.000 2.476 179 E HA 0.109 4.449 4.350 -0.015 0.000 0.196 179 E C -1.021 175.567 176.600 -0.021 0.000 1.029 179 E CA -0.562 55.828 56.400 -0.017 0.000 0.896 179 E CB 1.015 30.704 29.700 -0.019 0.000 1.012 179 E HN -0.377 7.933 8.360 -0.017 0.040 0.475 180 A N -1.588 121.219 122.820 -0.021 0.000 2.745 180 A HA -0.451 3.854 4.320 -0.024 0.000 0.296 180 A C -1.197 176.367 177.584 -0.034 0.000 1.500 180 A CA 0.789 52.811 52.037 -0.025 0.000 0.766 180 A CB -1.478 17.510 19.000 -0.020 0.000 1.030 180 A HN -0.306 7.670 8.150 -0.020 0.162 0.489 181 R N -2.505 117.971 120.500 -0.040 0.000 2.490 181 R HA -0.032 4.548 4.340 -0.056 -0.273 0.280 181 R C 0.315 176.572 176.300 -0.072 0.000 1.077 181 R CA -0.716 55.350 56.100 -0.056 0.000 1.065 181 R CB 0.087 30.353 30.300 -0.057 0.000 1.003 181 R HN -0.549 7.699 8.270 -0.036 0.000 0.470 182 D N -2.499 117.843 120.400 -0.097 0.000 2.527 182 D HA 0.089 4.666 4.640 -0.105 0.000 0.224 182 D C -1.432 174.746 176.300 -0.203 0.000 1.217 182 D CA -1.152 52.777 54.000 -0.118 0.000 0.819 182 D CB 1.874 42.622 40.800 -0.087 0.000 1.061 182 D HN 0.606 8.803 8.370 -0.099 0.113 0.515 183 L N 0.854 121.929 121.223 -0.246 0.000 2.611 183 L HA 0.503 4.791 4.340 -0.535 -0.270 0.263 183 L C -2.990 173.679 176.870 -0.335 0.000 0.969 183 L CA 0.375 54.958 54.840 -0.429 0.000 0.894 183 L CB 2.723 44.469 42.059 -0.522 0.000 1.229 183 L HN -0.886 7.227 8.230 -0.195 0.000 0.416 184 I N 6.106 126.484 120.570 -0.320 0.000 2.339 184 I HA 0.414 4.673 4.170 -0.135 -0.170 0.290 184 I C -1.741 174.293 176.117 -0.138 0.000 0.994 184 I CA -1.009 60.190 61.300 -0.168 0.000 1.191 184 I CB 1.791 39.738 38.000 -0.087 0.000 1.343 184 I HN 0.871 8.855 8.210 -0.376 0.000 0.458 185 L N 7.975 129.156 121.223 -0.071 0.000 2.295 185 L HA 0.513 5.046 4.340 0.079 -0.146 0.281 185 L C -1.265 175.628 176.870 0.037 0.000 1.018 185 L CA -1.166 53.684 54.840 0.017 0.000 0.841 185 L CB 1.256 43.319 42.059 0.007 0.000 1.218 185 L HN 0.690 8.878 8.230 -0.069 0.000 0.424 186 V N 5.459 125.421 119.914 0.081 0.000 2.334 186 V HA 0.123 4.353 4.120 -0.042 -0.135 0.267 186 V C -1.412 174.641 176.094 -0.069 0.000 1.040 186 V CA -1.031 61.253 62.300 -0.026 0.000 0.866 186 V CB 0.239 31.996 31.823 -0.110 0.000 1.019 186 V HN 0.744 9.035 8.190 0.167 0.000 0.468 187 D N 9.532 129.893 120.400 -0.063 0.000 2.374 187 D HA 0.185 4.803 4.640 -0.037 0.000 0.240 187 D C -0.108 176.133 176.300 -0.099 0.000 1.229 187 D CA -1.334 52.633 54.000 -0.056 0.000 0.895 187 D CB 1.127 41.909 40.800 -0.031 0.000 1.046 187 D HN 0.417 8.755 8.370 -0.054 0.000 0.498 188 T N 3.906 118.386 114.554 -0.124 0.000 2.754 188 T HA 0.007 4.255 4.350 -0.170 0.000 0.286 188 T C -0.981 173.690 174.700 -0.048 0.000 0.997 188 T CA -1.547 60.473 62.100 -0.133 0.000 0.982 188 T CB 1.341 70.115 68.868 -0.157 0.000 1.027 188 T HN -0.454 7.722 8.240 -0.106 0.000 0.529 189 A N -0.349 122.457 122.820 -0.024 0.000 2.488 189 A HA -0.103 4.214 4.320 -0.005 0.000 0.249 189 A C -0.436 177.172 177.584 0.039 0.000 1.083 189 A CA 0.812 52.851 52.037 0.005 0.000 0.768 189 A CB 0.298 19.304 19.000 0.009 0.000 1.017 189 A HN 0.118 8.248 8.150 -0.033 0.000 0.496 190 G N 0.192 109.011 108.800 0.032 0.000 2.372 190 G HA2 0.168 4.147 3.960 0.032 0.000 0.323 190 G HA3 0.168 4.319 3.960 0.074 -0.146 0.323 190 G C -1.787 173.142 174.900 0.048 0.000 1.152 190 G CA -0.700 44.428 45.100 0.048 0.000 0.906 190 G HN -0.042 8.259 8.290 0.018 0.000 0.460 191 R N 0.121 120.662 120.500 0.068 0.000 2.867 191 R HA 0.285 4.647 4.340 0.037 0.000 0.268 191 R C 0.752 177.085 176.300 0.055 0.000 1.014 191 R CA -3.013 53.117 56.100 0.051 0.000 0.946 191 R CB 3.031 33.359 30.300 0.046 0.000 1.208 191 R HN -0.089 8.239 8.270 0.097 0.000 0.477 192 L N -0.163 121.083 121.223 0.038 0.000 2.240 192 L HA -0.121 4.242 4.340 0.038 0.000 0.211 192 L C -0.088 176.807 176.870 0.041 0.000 1.106 192 L CA 2.451 57.313 54.840 0.036 0.000 0.793 192 L CB 0.425 42.498 42.059 0.023 0.000 0.927 192 L HN 0.607 8.855 8.230 0.030 0.000 0.446 193 Q N -3.757 116.065 119.800 0.037 0.000 2.458 193 Q HA 0.043 4.403 4.340 0.034 0.000 0.282 193 Q C -0.962 175.052 176.000 0.024 0.000 1.106 193 Q CA -1.681 54.139 55.803 0.029 0.000 0.814 193 Q CB 3.199 31.945 28.738 0.012 0.000 1.425 193 Q HN -0.711 7.557 8.270 0.033 0.023 0.437 194 I N 0.779 121.349 120.570 -0.001 0.000 2.683 194 I HA -0.101 4.019 4.170 -0.083 0.000 0.286 194 I C -0.755 175.330 176.117 -0.053 0.000 1.175 194 I CA 0.411 61.672 61.300 -0.065 0.000 1.429 194 I CB -0.356 37.575 38.000 -0.115 0.000 1.371 194 I HN 0.185 8.396 8.210 0.002 0.000 0.569 195 D N 8.237 128.598 120.400 -0.065 0.000 2.469 195 D HA 0.156 4.778 4.640 -0.030 0.000 0.251 195 D C -0.189 176.079 176.300 -0.053 0.000 1.173 195 D CA -1.293 52.683 54.000 -0.039 0.000 0.882 195 D CB 1.399 42.190 40.800 -0.015 0.000 1.129 195 D HN -0.061 8.252 8.370 -0.094 0.000 0.549 196 E N 5.368 125.540 120.200 -0.046 0.000 2.047 196 E HA -0.085 4.226 4.350 -0.065 0.000 0.191 196 E C -0.389 176.191 176.600 -0.034 0.000 0.987 196 E CA 4.978 61.349 56.400 -0.048 0.000 0.799 196 E CB -2.180 27.497 29.700 -0.039 0.000 0.752 196 E HN 0.543 8.880 8.360 -0.039 0.000 0.449 197 P HA -0.251 4.162 4.420 -0.011 0.000 0.217 197 P C 1.165 178.458 177.300 -0.012 0.000 1.148 197 P CA 2.841 65.933 63.100 -0.013 0.000 0.834 197 P CB -0.403 31.292 31.700 -0.009 0.000 0.783 198 L N -2.532 118.680 121.223 -0.018 0.000 2.044 198 L HA -0.184 4.155 4.340 -0.000 0.000 0.205 198 L C 1.777 178.635 176.870 -0.020 0.000 1.075 198 L CA 3.374 58.207 54.840 -0.012 0.000 0.747 198 L CB -0.106 41.945 42.059 -0.014 0.000 0.903 198 L HN -0.169 8.317 8.230 -0.024 -0.271 0.435 199 M N -2.194 117.371 119.600 -0.058 0.000 2.296 199 M HA -0.209 4.226 4.480 -0.076 0.000 0.265 199 M C 2.567 178.853 176.300 -0.023 0.000 1.064 199 M CA 1.165 56.420 55.300 -0.075 0.000 1.109 199 M CB -1.783 30.730 32.600 -0.144 0.000 1.396 199 M HN 0.626 8.696 8.290 -0.069 0.178 0.430 200 G N -2.363 106.429 108.800 -0.014 0.000 2.408 200 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.217 200 G HA3 -0.279 3.683 3.960 0.003 0.000 0.217 200 G C 0.878 175.790 174.900 0.020 0.000 1.150 200 G CA 2.139 47.241 45.100 0.003 0.000 0.776 200 G HN 0.364 8.641 8.290 -0.021 0.000 0.542 201 E N 1.944 122.155 120.200 0.019 0.000 2.112 201 E HA -0.133 4.234 4.350 0.029 0.000 0.190 201 E C 2.365 178.997 176.600 0.053 0.000 0.979 201 E CA 2.173 58.590 56.400 0.028 0.000 0.814 201 E CB -0.160 29.549 29.700 0.015 0.000 0.762 201 E HN -0.504 7.602 8.360 0.010 0.260 0.460 202 L N 0.355 121.617 121.223 0.065 0.000 2.141 202 L HA -0.270 4.141 4.340 0.118 0.000 0.209 202 L C 1.200 178.174 176.870 0.174 0.000 1.094 202 L CA 2.786 57.701 54.840 0.126 0.000 0.763 202 L CB -0.579 41.566 42.059 0.144 0.000 0.908 202 L HN 0.544 8.598 8.230 0.048 0.204 0.437 203 A N -1.153 121.733 122.820 0.109 0.000 1.929 203 A HA -0.293 4.093 4.320 0.111 0.000 0.216 203 A C 1.685 179.326 177.584 0.095 0.000 1.176 203 A CA 3.283 55.377 52.037 0.096 0.000 0.628 203 A CB -0.774 18.256 19.000 0.050 0.000 0.816 203 A HN 0.443 8.638 8.150 0.075 0.000 0.444 204 R N -0.560 119.989 120.500 0.081 0.000 2.075 204 R HA -0.191 4.348 4.340 0.061 -0.162 0.232 204 R C 2.040 178.406 176.300 0.109 0.000 1.126 204 R CA 1.978 58.122 56.100 0.073 0.000 0.963 204 R CB -0.436 29.895 30.300 0.052 0.000 0.858 204 R HN -0.241 8.072 8.270 0.071 0.000 0.435 205 L N -0.461 120.851 121.223 0.149 0.000 2.083 205 L HA -0.322 4.113 4.340 0.158 0.000 0.209 205 L C 1.158 178.250 176.870 0.369 0.000 1.083 205 L CA 3.394 58.363 54.840 0.215 0.000 0.752 205 L CB -0.282 41.866 42.059 0.149 0.000 0.899 205 L HN 0.119 8.360 8.230 0.136 0.071 0.433 206 K N -0.836 119.783 120.400 0.365 0.000 2.057 206 K HA -0.444 3.863 4.320 -0.021 0.000 0.207 206 K C 2.163 178.785 176.600 0.036 0.000 1.049 206 K CA 3.814 60.172 56.287 0.117 0.000 0.931 206 K CB -0.291 32.222 32.500 0.022 0.000 0.714 206 K HN 0.146 8.598 8.250 0.348 0.006 0.440 207 E N -1.613 118.624 120.200 0.061 0.000 2.077 207 E HA -0.321 4.038 4.350 0.014 0.000 0.193 207 E C 2.186 178.811 176.600 0.043 0.000 0.989 207 E CA 2.681 59.102 56.400 0.035 0.000 0.800 207 E CB 0.024 29.746 29.700 0.036 0.000 0.746 207 E HN -0.437 7.971 8.360 0.081 0.000 0.452 208 V N -1.939 118.019 119.914 0.072 0.000 2.407 208 V HA -0.264 3.885 4.120 0.049 0.000 0.245 208 V C 1.499 177.639 176.094 0.077 0.000 1.041 208 V CA 3.317 65.658 62.300 0.068 0.000 1.040 208 V CB 0.295 32.160 31.823 0.071 0.000 0.671 208 V HN -0.317 7.930 8.190 0.094 0.000 0.455 209 L N -4.892 116.404 121.223 0.122 0.000 2.375 209 L HA -0.068 4.336 4.340 0.107 0.000 0.215 209 L C 0.550 177.454 176.870 0.056 0.000 1.108 209 L CA 0.521 55.441 54.840 0.133 0.000 0.830 209 L CB 0.518 42.752 42.059 0.291 0.000 0.959 209 L HN -0.137 8.191 8.230 0.164 0.000 0.457 210 G N -1.175 107.620 108.800 -0.008 0.000 2.350 210 G HA2 -0.223 3.724 3.960 -0.022 0.000 0.298 210 G HA3 -0.223 3.753 3.960 -0.075 -0.061 0.298 210 G C -2.098 172.749 174.900 -0.089 0.000 1.037 210 G CA -0.369 44.699 45.100 -0.054 0.000 1.074 210 G HN -0.402 7.885 8.290 -0.006 0.000 0.511 211 P HA -0.119 4.398 4.420 -0.032 -0.116 0.268 211 P C -0.563 176.686 177.300 -0.085 0.000 1.205 211 P CA -0.423 62.570 63.100 -0.178 0.000 0.771 211 P CB 0.579 31.932 31.700 -0.578 0.000 0.858 212 D N 1.486 121.924 120.400 0.063 0.000 2.178 212 D HA -0.103 4.555 4.640 0.031 0.000 0.202 212 D C 0.091 176.380 176.300 -0.018 0.000 0.974 212 D CA 2.345 56.392 54.000 0.078 0.000 0.841 212 D CB 0.528 41.458 40.800 0.218 0.000 0.953 212 D HN 0.194 8.650 8.370 0.143 0.000 0.478 213 E N -2.642 117.524 120.200 -0.057 0.000 2.343 213 E HA 0.324 4.561 4.350 -0.189 0.000 0.270 213 E C -2.239 174.295 176.600 -0.110 0.000 0.895 213 E CA -1.750 54.505 56.400 -0.241 0.000 0.767 213 E CB 4.324 33.549 29.700 -0.792 0.000 1.248 213 E HN -0.756 7.663 8.360 0.099 0.000 0.440 214 V N 2.029 121.895 119.914 -0.080 0.000 2.409 214 V HA 0.220 4.529 4.120 0.091 -0.134 0.290 214 V C -1.515 174.590 176.094 0.018 0.000 1.017 214 V CA -0.627 61.681 62.300 0.013 0.000 0.841 214 V CB 1.305 33.130 31.823 0.004 0.000 1.003 214 V HN 0.473 8.610 8.190 -0.089 0.000 0.426 215 L N 7.474 128.730 121.223 0.055 0.000 2.276 215 L HA 0.548 5.085 4.340 0.013 -0.189 0.286 215 L C -1.724 175.139 176.870 -0.013 0.000 1.024 215 L CA -1.458 53.400 54.840 0.030 0.000 0.826 215 L CB 1.601 43.703 42.059 0.073 0.000 1.211 215 L HN 0.835 9.132 8.230 0.111 0.000 0.422 216 L N 6.799 127.980 121.223 -0.069 0.000 2.265 216 L HA 0.496 4.875 4.340 -0.239 -0.183 0.288 216 L C -1.771 175.017 176.870 -0.137 0.000 1.058 216 L CA -1.428 53.310 54.840 -0.170 0.000 0.809 216 L CB 1.527 43.473 42.059 -0.188 0.000 1.179 216 L HN 0.347 8.539 8.230 -0.062 0.000 0.429 217 V N 8.658 128.482 119.914 -0.150 0.000 2.407 217 V HA 0.387 4.656 4.120 -0.069 -0.190 0.278 217 V C -1.090 174.937 176.094 -0.112 0.000 1.037 217 V CA -0.341 61.901 62.300 -0.097 0.000 0.900 217 V CB 0.422 32.204 31.823 -0.067 0.000 0.983 217 V HN 0.433 8.508 8.190 -0.192 0.000 0.459 218 L N 6.822 127.999 121.223 -0.076 0.000 2.385 218 L HA 0.326 4.629 4.340 -0.063 0.000 0.273 218 L C -1.928 174.923 176.870 -0.031 0.000 0.990 218 L CA -1.591 53.213 54.840 -0.060 0.000 0.821 218 L CB 3.839 45.860 42.059 -0.063 0.000 1.279 218 L HN 0.407 8.599 8.230 -0.063 0.000 0.412 219 D N 2.184 122.574 120.400 -0.017 0.000 2.371 219 D HA 0.051 4.695 4.640 0.006 0.000 0.256 219 D C 0.865 177.166 176.300 0.002 0.000 1.193 219 D CA -0.188 53.812 54.000 -0.000 0.000 0.881 219 D CB 0.821 41.623 40.800 0.004 0.000 1.143 219 D HN 0.289 8.648 8.370 -0.019 0.000 0.473 220 A N 7.787 130.619 122.820 0.019 0.000 1.972 220 A HA -0.310 4.013 4.320 0.005 0.000 0.219 220 A C 1.352 178.944 177.584 0.013 0.000 1.169 220 A CA 2.880 54.931 52.037 0.025 0.000 0.635 220 A CB 0.196 19.245 19.000 0.081 0.000 0.810 220 A HN 0.703 8.871 8.150 0.030 0.000 0.446 221 M N -4.289 115.323 119.600 0.020 0.000 2.659 221 M HA -0.154 4.335 4.480 0.014 0.000 0.243 221 M C -0.102 176.199 176.300 0.002 0.000 1.111 221 M CA 1.720 57.029 55.300 0.014 0.000 1.070 221 M CB -0.084 32.529 32.600 0.022 0.000 1.525 221 M HN 0.127 8.893 8.290 0.024 -0.462 0.517 222 T N -7.519 107.033 114.554 -0.003 0.000 3.060 222 T HA 0.007 4.354 4.350 -0.004 0.000 0.249 222 T C 0.250 174.940 174.700 -0.017 0.000 1.079 222 T CA -0.866 61.230 62.100 -0.007 0.000 1.013 222 T CB 1.217 70.084 68.868 -0.001 0.000 0.975 222 T HN -0.325 7.842 8.240 -0.003 0.071 0.518 223 G N 1.357 110.139 108.800 -0.030 0.000 2.562 223 G HA2 -0.529 3.491 3.960 -0.043 0.000 0.250 223 G HA3 -0.529 3.393 3.960 -0.063 0.000 0.250 223 G C 0.679 175.552 174.900 -0.045 0.000 1.269 223 G CA 0.253 45.325 45.100 -0.046 0.000 0.919 223 G HN -0.697 7.486 8.290 -0.032 0.088 0.574 224 Q N 2.123 121.896 119.800 -0.046 0.000 2.268 224 Q HA -0.510 3.804 4.340 -0.043 0.000 0.213 224 Q C 2.359 178.346 176.000 -0.022 0.000 0.995 224 Q CA 3.223 59.004 55.803 -0.038 0.000 0.901 224 Q CB -0.329 28.388 28.738 -0.036 0.000 0.921 224 Q HN 0.010 8.568 8.270 -0.049 -0.318 0.421 225 E N -0.936 119.254 120.200 -0.016 0.000 2.070 225 E HA -0.395 3.955 4.350 0.001 0.000 0.197 225 E C 2.098 178.701 176.600 0.005 0.000 1.004 225 E CA 2.871 59.270 56.400 -0.002 0.000 0.805 225 E CB -0.410 29.291 29.700 0.002 0.000 0.744 225 E HN -0.434 7.889 8.360 -0.018 0.025 0.451 226 A N -1.410 121.406 122.820 -0.007 0.000 1.940 226 A HA -0.287 4.035 4.320 0.003 0.000 0.219 226 A C 1.929 179.512 177.584 -0.002 0.000 1.176 226 A CA 3.325 55.358 52.037 -0.007 0.000 0.631 226 A CB -0.586 18.398 19.000 -0.026 0.000 0.814 226 A HN -0.097 7.934 8.150 -0.015 0.110 0.446 227 L N -3.687 117.529 121.223 -0.011 0.000 2.093 227 L HA -0.396 3.939 4.340 -0.008 0.000 0.208 227 L C 2.164 179.042 176.870 0.014 0.000 1.085 227 L CA 2.924 57.760 54.840 -0.006 0.000 0.755 227 L CB -0.629 41.420 42.059 -0.017 0.000 0.904 227 L HN -0.567 7.552 8.230 -0.018 0.100 0.435 228 S N 0.721 116.430 115.700 0.016 0.000 2.368 228 S HA -0.221 4.262 4.470 0.021 0.000 0.224 228 S C 2.251 176.884 174.600 0.054 0.000 1.029 228 S CA 3.553 61.768 58.200 0.025 0.000 0.988 228 S CB -0.828 62.382 63.200 0.016 0.000 0.838 228 S HN -0.774 7.460 8.310 0.009 0.081 0.462 229 V N 2.340 122.300 119.914 0.077 0.000 2.343 229 V HA -0.486 3.742 4.120 0.179 0.000 0.247 229 V C 1.280 177.505 176.094 0.219 0.000 1.051 229 V CA 3.952 66.350 62.300 0.163 0.000 1.036 229 V CB -0.815 31.099 31.823 0.152 0.000 0.654 229 V HN 0.101 8.326 8.190 0.058 0.000 0.451 230 A N -1.276 121.612 122.820 0.113 0.000 1.978 230 A HA -0.343 4.048 4.320 0.119 0.000 0.220 230 A C 1.865 179.512 177.584 0.105 0.000 1.170 230 A CA 3.181 55.275 52.037 0.096 0.000 0.636 230 A CB -0.843 18.170 19.000 0.022 0.000 0.810 230 A HN -0.092 8.100 8.150 0.069 0.000 0.448 231 R N -1.220 119.323 120.500 0.073 0.000 2.070 231 R HA -0.376 3.987 4.340 0.038 0.000 0.233 231 R C 1.669 177.998 176.300 0.048 0.000 1.137 231 R CA 3.356 59.484 56.100 0.046 0.000 0.945 231 R CB 0.011 30.327 30.300 0.026 0.000 0.845 231 R HN -0.342 7.847 8.270 0.065 0.119 0.430 232 A N -1.140 121.710 122.820 0.050 0.000 1.873 232 A HA -0.223 4.073 4.320 -0.040 0.000 0.215 232 A C 2.306 179.857 177.584 -0.054 0.000 1.186 232 A CA 2.991 55.013 52.037 -0.025 0.000 0.616 232 A CB -0.783 18.175 19.000 -0.070 0.000 0.823 232 A HN -0.459 7.732 8.150 0.068 0.000 0.442 233 F N -2.422 117.531 119.950 0.005 0.000 2.186 233 F HA -0.296 4.243 4.527 0.019 0.000 0.299 233 F C 2.218 178.024 175.800 0.009 0.000 1.090 233 F CA 3.965 61.973 58.000 0.013 0.000 1.307 233 F CB -0.046 38.964 39.000 0.017 0.000 1.019 233 F HN -0.130 8.367 8.300 0.329 0.000 0.489 234 D N -1.153 119.347 120.400 0.167 0.000 2.144 234 D HA -0.217 4.482 4.640 0.097 0.000 0.200 234 D C 2.634 178.963 176.300 0.047 0.000 0.978 234 D CA 3.277 57.331 54.000 0.090 0.000 0.833 234 D CB -0.105 40.728 40.800 0.054 0.000 0.961 234 D HN -0.200 8.270 8.370 0.165 0.000 0.470 235 E N -1.267 118.950 120.200 0.028 0.000 2.072 235 E HA -0.200 4.152 4.350 0.004 0.000 0.191 235 E C 1.424 178.020 176.600 -0.008 0.000 0.985 235 E CA 2.044 58.445 56.400 0.002 0.000 0.801 235 E CB 0.222 29.916 29.700 -0.010 0.000 0.750 235 E HN -0.102 8.277 8.360 0.032 0.000 0.452 236 K N -3.124 117.262 120.400 -0.022 0.000 2.308 236 K HA 0.091 4.392 4.320 -0.032 0.000 0.197 236 K C -0.419 176.178 176.600 -0.005 0.000 1.049 236 K CA 1.347 57.610 56.287 -0.039 0.000 0.991 236 K CB 1.074 33.511 32.500 -0.106 0.000 0.836 236 K HN -0.301 7.933 8.250 -0.027 0.000 0.500 237 V N -5.391 114.545 119.914 0.036 0.000 3.058 237 V HA 0.090 4.251 4.120 0.069 0.000 0.233 237 V C -0.165 175.970 176.094 0.070 0.000 1.255 237 V CA -0.002 62.348 62.300 0.084 0.000 1.267 237 V CB 2.987 34.917 31.823 0.178 0.000 1.049 237 V HN -0.418 7.801 8.190 0.047 0.000 0.486 238 G N 1.340 110.185 108.800 0.076 0.000 3.383 238 G HA2 -0.200 3.773 3.960 0.022 0.000 0.685 238 G HA3 -0.200 4.063 3.960 0.038 -0.280 0.685 238 G C -1.243 173.683 174.900 0.043 0.000 1.104 238 G CA -0.175 44.950 45.100 0.043 0.000 0.957 238 G HN -0.557 7.792 8.290 0.097 0.000 0.461 239 V N 1.662 121.600 119.914 0.041 0.000 2.667 239 V HA 0.520 4.652 4.120 0.020 0.000 0.308 239 V C -1.357 174.726 176.094 -0.019 0.000 1.048 239 V CA -2.798 59.513 62.300 0.019 0.000 0.928 239 V CB 3.111 34.950 31.823 0.027 0.000 1.004 239 V HN 0.028 8.522 8.190 0.042 -0.279 0.444 240 T N -1.409 113.124 114.554 -0.034 0.000 2.990 240 T HA 0.216 4.538 4.350 -0.047 0.000 0.250 240 T C 0.139 174.793 174.700 -0.076 0.000 1.041 240 T CA 0.156 62.229 62.100 -0.045 0.000 1.010 240 T CB 2.219 71.062 68.868 -0.040 0.000 1.003 240 T HN 0.699 8.921 8.240 -0.031 0.000 0.499 241 G N 0.071 108.815 108.800 -0.092 0.000 2.576 241 G HA2 0.398 4.206 3.960 -0.254 0.000 0.290 241 G HA3 0.398 4.343 3.960 -0.345 -0.192 0.290 241 G C -3.448 171.364 174.900 -0.148 0.000 1.442 241 G CA 0.418 45.383 45.100 -0.225 0.000 0.792 241 G HN -0.853 7.400 8.290 -0.063 0.000 0.491 242 L N -1.933 119.162 121.223 -0.214 0.000 2.341 242 L HA 0.870 5.328 4.340 -0.109 -0.184 0.267 242 L C -1.486 175.332 176.870 -0.087 0.000 1.009 242 L CA -1.566 53.185 54.840 -0.149 0.000 0.819 242 L CB 4.060 46.001 42.059 -0.196 0.000 1.323 242 L HN 0.266 8.291 8.230 -0.341 0.000 0.425 243 V N 0.759 120.646 119.914 -0.045 0.000 2.531 243 V HA 0.612 5.106 4.120 0.022 -0.360 0.301 243 V C -1.513 174.558 176.094 -0.039 0.000 1.034 243 V CA -1.441 60.862 62.300 0.005 0.000 0.865 243 V CB 2.548 34.407 31.823 0.061 0.000 0.995 243 V HN 0.474 8.630 8.190 -0.057 0.000 0.424 244 L N 8.249 129.444 121.223 -0.047 0.000 2.276 244 L HA 0.754 5.266 4.340 -0.034 -0.192 0.286 244 L C -0.114 176.774 176.870 0.030 0.000 1.024 244 L CA -1.594 53.229 54.840 -0.027 0.000 0.826 244 L CB 1.024 43.057 42.059 -0.044 0.000 1.211 244 L HN 0.604 8.802 8.230 -0.054 0.000 0.422 245 T N 2.130 116.700 114.554 0.026 0.000 2.881 245 T HA 0.339 4.719 4.350 0.049 0.000 0.278 245 T C 0.422 175.153 174.700 0.052 0.000 0.982 245 T CA -2.052 60.071 62.100 0.038 0.000 0.989 245 T CB 2.528 71.408 68.868 0.020 0.000 1.058 245 T HN 0.497 8.742 8.240 0.010 0.000 0.529 246 K N -2.245 118.187 120.400 0.054 0.000 3.088 246 K HA -0.426 4.040 4.320 0.054 -0.113 0.273 246 K C 1.675 178.328 176.600 0.088 0.000 1.111 246 K CA 1.891 58.214 56.287 0.059 0.000 0.803 246 K CB -2.209 30.318 32.500 0.045 0.000 1.226 246 K HN 0.581 8.861 8.250 0.050 0.000 0.485 247 L N -0.823 120.469 121.223 0.114 0.000 1.961 247 L HA -0.336 4.147 4.340 0.239 0.000 0.210 247 L C 1.092 178.044 176.870 0.136 0.000 1.072 247 L CA 3.752 58.698 54.840 0.176 0.000 0.749 247 L CB -0.080 42.088 42.059 0.181 0.000 0.889 247 L HN 0.421 8.672 8.230 0.105 0.042 0.432 248 D N -3.609 116.835 120.400 0.074 0.000 2.311 248 D HA -0.330 4.321 4.640 0.019 0.000 0.204 248 D C 1.260 177.597 176.300 0.061 0.000 1.000 248 D CA 1.840 55.866 54.000 0.044 0.000 0.910 248 D CB -0.990 39.829 40.800 0.032 0.000 0.900 248 D HN -0.372 8.039 8.370 0.069 0.000 0.463 249 G N -0.657 108.190 108.800 0.079 0.000 2.647 249 G HA2 -0.197 3.982 3.960 0.071 0.000 0.271 249 G HA3 -0.197 3.796 3.960 0.056 0.000 0.271 249 G C -0.736 174.217 174.900 0.089 0.000 1.300 249 G CA -0.325 44.818 45.100 0.073 0.000 0.997 249 G HN -0.495 7.452 8.290 0.086 0.395 0.533 250 D N -2.206 118.236 120.400 0.069 0.000 2.471 250 D HA 0.136 4.830 4.640 0.090 0.000 0.245 250 D C -1.636 174.694 176.300 0.051 0.000 1.116 250 D CA -1.203 52.837 54.000 0.068 0.000 0.853 250 D CB 0.525 41.354 40.800 0.048 0.000 1.123 250 D HN -0.146 8.257 8.370 0.055 0.000 0.540 251 A N 3.631 126.483 122.820 0.052 0.000 1.702 251 A HA 0.066 4.393 4.320 0.011 0.000 0.151 251 A C -1.256 176.321 177.584 -0.013 0.000 1.611 251 A CA 1.114 53.160 52.037 0.015 0.000 1.414 251 A CB 1.485 20.489 19.000 0.007 0.000 1.183 251 A HN 0.303 8.497 8.150 0.075 0.000 0.917 252 R N -4.536 115.934 120.500 -0.051 0.000 3.892 252 R HA 0.039 4.337 4.340 -0.069 0.000 0.051 252 R C -0.738 175.408 176.300 -0.256 0.000 0.775 252 R CA 0.516 56.553 56.100 -0.106 0.000 2.306 252 R CB 2.559 32.799 30.300 -0.100 0.000 1.401 252 R HN 0.465 9.201 8.270 -0.059 -0.502 0.457 253 G N -3.720 104.838 108.800 -0.403 0.000 2.296 253 G HA2 -0.204 3.137 3.960 -1.030 0.000 0.188 253 G HA3 -0.204 3.159 3.960 -1.234 -0.144 0.188 253 G C 0.665 175.244 174.900 -0.534 0.000 1.000 253 G CA -0.080 44.507 45.100 -0.855 0.000 0.672 253 G HN -0.050 8.121 8.290 -0.302 -0.062 0.483 254 G N 1.769 110.386 108.800 -0.305 0.000 2.663 254 G HA2 -0.541 3.460 3.960 -0.165 0.000 0.222 254 G HA3 -0.541 3.300 3.960 -0.199 0.000 0.222 254 G C 0.050 174.847 174.900 -0.171 0.000 1.146 254 G CA 2.818 47.794 45.100 -0.207 0.000 0.764 254 G HN 0.142 8.275 8.290 -0.261 0.000 0.608 255 A N -0.201 122.524 122.820 -0.158 0.000 1.873 255 A HA -0.284 3.982 4.320 -0.089 0.000 0.215 255 A C 1.486 179.018 177.584 -0.087 0.000 1.186 255 A CA 2.570 54.545 52.037 -0.103 0.000 0.616 255 A CB -0.703 18.249 19.000 -0.080 0.000 0.823 255 A HN 0.232 8.275 8.150 -0.177 0.000 0.442 256 A N -1.970 120.805 122.820 -0.076 0.000 1.930 256 A HA -0.271 4.026 4.320 -0.039 0.000 0.217 256 A C 1.887 179.495 177.584 0.041 0.000 1.175 256 A CA 2.396 54.444 52.037 0.019 0.000 0.627 256 A CB -0.621 18.535 19.000 0.260 0.000 0.815 256 A HN -0.480 7.603 8.150 -0.112 0.000 0.443 257 L N -5.750 115.456 121.223 -0.028 0.000 2.217 257 L HA -0.183 4.207 4.340 0.083 0.000 0.211 257 L C 1.183 178.054 176.870 0.001 0.000 1.107 257 L CA 2.030 56.872 54.840 0.004 0.000 0.783 257 L CB 0.082 42.095 42.059 -0.078 0.000 0.919 257 L HN -0.151 8.010 8.230 -0.114 0.000 0.442 258 S N -2.731 112.947 115.700 -0.038 0.000 2.511 258 S HA 0.224 4.670 4.470 -0.039 0.000 0.214 258 S C 0.884 175.484 174.600 -0.000 0.000 0.997 258 S CA 1.308 59.486 58.200 -0.037 0.000 0.908 258 S CB 0.466 63.621 63.200 -0.075 0.000 0.803 258 S HN -0.413 7.688 8.310 -0.058 0.174 0.504 259 A N 2.983 125.793 122.820 -0.017 0.000 1.883 259 A HA -0.335 3.965 4.320 -0.034 0.000 0.217 259 A C 1.151 178.728 177.584 -0.010 0.000 1.186 259 A CA 3.616 55.632 52.037 -0.035 0.000 0.624 259 A CB -0.931 18.015 19.000 -0.090 0.000 0.822 259 A HN -0.152 7.982 8.150 -0.025 0.000 0.444 260 R N -1.764 118.741 120.500 0.010 0.000 2.083 260 R HA -0.396 3.930 4.340 -0.024 0.000 0.237 260 R C 2.058 178.393 176.300 0.058 0.000 1.137 260 R CA 3.581 59.690 56.100 0.015 0.000 0.951 260 R CB -0.205 30.114 30.300 0.030 0.000 0.851 260 R HN 0.006 8.286 8.270 0.018 0.000 0.434 261 H N -0.596 118.467 119.070 -0.012 0.000 2.357 261 H HA -0.170 4.383 4.556 -0.005 0.000 0.301 261 H C 1.555 176.875 175.328 -0.013 0.000 1.082 261 H CA 2.834 58.879 56.048 -0.006 0.000 1.342 261 H CB -0.029 29.739 29.762 0.011 0.000 1.389 261 H HN -0.362 8.041 8.280 0.204 0.000 0.511 262 V N -4.311 115.711 119.914 0.181 0.000 2.446 262 V HA -0.197 4.016 4.120 0.155 0.000 0.244 262 V C 0.882 177.003 176.094 0.044 0.000 1.039 262 V CA 2.229 64.596 62.300 0.112 0.000 1.045 262 V CB 0.516 32.372 31.823 0.056 0.000 0.681 262 V HN 0.005 8.280 8.190 0.142 0.000 0.459 263 T N -6.920 107.643 114.554 0.015 0.000 3.023 263 T HA -0.022 4.326 4.350 -0.003 0.000 0.249 263 T C 1.383 176.067 174.700 -0.026 0.000 1.050 263 T CA -0.019 62.075 62.100 -0.010 0.000 1.088 263 T CB 2.110 70.960 68.868 -0.029 0.000 0.946 263 T HN -0.084 8.165 8.240 0.015 0.000 0.480 264 G N 2.656 111.438 108.800 -0.030 0.000 2.153 264 G HA2 -0.372 3.562 3.960 -0.043 0.000 0.252 264 G HA3 -0.372 3.668 3.960 -0.046 -0.108 0.252 264 G C -0.382 174.474 174.900 -0.073 0.000 0.994 264 G CA 1.004 46.076 45.100 -0.047 0.000 0.698 264 G HN -0.495 7.784 8.290 -0.019 0.000 0.521 265 K N 0.492 120.834 120.400 -0.097 0.000 2.138 265 K HA 0.533 4.763 4.320 -0.149 0.000 0.263 265 K C -2.139 174.324 176.600 -0.228 0.000 0.965 265 K CA -3.763 52.431 56.287 -0.154 0.000 0.868 265 K CB -0.035 32.376 32.500 -0.147 0.000 1.083 265 K HN -0.533 7.635 8.250 -0.089 0.029 0.443 266 P HA 0.125 4.350 4.420 -0.326 0.000 0.275 266 P C -1.265 175.666 177.300 -0.615 0.000 1.227 266 P CA -0.552 62.257 63.100 -0.485 0.000 0.781 266 P CB 0.861 32.138 31.700 -0.705 0.000 0.906 267 I N 1.065 121.343 120.570 -0.486 0.000 2.301 267 I HA -0.086 3.952 4.170 -0.473 -0.152 0.292 267 I C 0.011 175.893 176.117 -0.391 0.000 1.046 267 I CA 0.281 61.269 61.300 -0.520 0.000 1.282 267 I CB -0.463 37.031 38.000 -0.845 0.000 1.409 267 I HN 0.056 8.042 8.210 -0.374 0.000 0.484 268 Y N 4.570 124.738 120.300 -0.219 0.000 2.301 268 Y HA 0.216 4.969 4.550 -0.343 -0.409 0.295 268 Y C -0.185 175.372 175.900 -0.571 0.000 1.119 268 Y CA 0.205 58.103 58.100 -0.336 0.000 1.162 268 Y CB 1.633 39.955 38.460 -0.230 0.000 1.046 268 Y HN 0.588 8.747 8.280 -0.201 0.000 0.538 269 F N -5.151 114.827 119.950 0.046 0.000 2.588 269 F HA 0.696 5.327 4.527 -0.039 -0.127 0.314 269 F C -2.112 173.685 175.800 -0.005 0.000 1.069 269 F CA -1.778 56.212 58.000 -0.017 0.000 0.931 269 F CB 5.241 44.208 39.000 -0.054 0.000 1.260 269 F HN -0.875 7.527 8.300 0.170 0.000 0.465 270 A N -0.428 122.538 122.820 0.243 0.000 2.449 270 A HA 0.888 5.430 4.320 0.140 -0.137 0.302 270 A C -1.948 175.723 177.584 0.145 0.000 1.048 270 A CA -1.782 50.373 52.037 0.196 0.000 0.708 270 A CB 3.989 23.188 19.000 0.332 0.000 1.274 270 A HN 0.937 9.229 8.150 0.237 0.000 0.410 271 G N 0.002 108.865 108.800 0.105 0.000 2.320 271 G HA2 0.511 4.507 3.960 0.061 0.000 0.300 271 G HA3 0.511 4.834 3.960 0.069 -0.322 0.300 271 G C -0.812 174.133 174.900 0.076 0.000 1.126 271 G CA -0.555 44.590 45.100 0.075 0.000 0.896 271 G HN 0.510 8.859 8.290 0.099 0.000 0.436 272 V N -0.721 119.232 119.914 0.064 0.000 3.572 272 V HA 0.510 4.663 4.120 0.054 0.000 0.260 272 V C -1.320 174.799 176.094 0.042 0.000 1.324 272 V CA -1.079 61.253 62.300 0.054 0.000 1.068 272 V CB 2.307 34.160 31.823 0.052 0.000 0.837 272 V HN 0.263 8.489 8.190 0.060 0.000 0.450 273 S N -2.296 113.428 115.700 0.041 0.000 2.656 273 S HA 0.206 4.695 4.470 0.031 0.000 0.273 273 S C -0.665 173.953 174.600 0.031 0.000 1.168 273 S CA -0.964 57.256 58.200 0.033 0.000 0.817 273 S CB 2.990 66.208 63.200 0.031 0.000 1.146 273 S HN -0.822 7.514 8.310 0.043 0.000 0.475 274 E N -0.155 120.061 120.200 0.026 0.000 2.502 274 E HA -0.026 4.338 4.350 0.023 0.000 0.194 274 E C 0.487 177.101 176.600 0.022 0.000 1.062 274 E CA 0.299 56.712 56.400 0.022 0.000 0.867 274 E CB -0.420 29.291 29.700 0.019 0.000 0.888 274 E HN 0.380 8.755 8.360 0.024 0.000 0.510 275 K N 0.409 120.823 120.400 0.025 0.000 2.168 275 K HA 0.122 4.455 4.320 0.021 0.000 0.258 275 K C -0.916 175.700 176.600 0.027 0.000 1.010 275 K CA -1.331 54.971 56.287 0.025 0.000 0.929 275 K CB -0.628 31.889 32.500 0.027 0.000 0.998 275 K HN -0.286 7.844 8.250 0.027 0.136 0.479 276 P HA -0.293 4.142 4.420 0.025 0.000 0.218 276 P C -0.127 177.197 177.300 0.040 0.000 1.148 276 P CA 2.459 65.576 63.100 0.028 0.000 0.822 276 P CB -0.071 31.643 31.700 0.024 0.000 0.784 277 E N -5.229 114.999 120.200 0.047 0.000 2.494 277 E HA -0.201 4.199 4.350 0.083 0.000 0.193 277 E C -0.065 176.579 176.600 0.073 0.000 1.074 277 E CA 0.089 56.530 56.400 0.068 0.000 0.867 277 E CB -2.157 27.582 29.700 0.064 0.000 0.924 277 E HN 0.100 8.447 8.360 0.041 0.037 0.502 278 G N -0.984 107.848 108.800 0.053 0.000 3.332 278 G HA2 -0.009 4.302 3.960 0.043 0.000 0.242 278 G HA3 -0.009 3.984 3.960 0.055 0.000 0.242 278 G C -1.868 173.063 174.900 0.051 0.000 1.276 278 G CA 0.068 45.199 45.100 0.051 0.000 0.988 278 G HN 0.467 8.433 8.290 0.045 0.351 0.517 279 L N 0.353 121.607 121.223 0.052 0.000 2.372 279 L HA 0.808 5.505 4.340 0.055 -0.324 0.274 279 L C -2.262 174.638 176.870 0.051 0.000 0.988 279 L CA -0.513 54.349 54.840 0.036 0.000 0.833 279 L CB 2.542 44.580 42.059 -0.036 0.000 1.236 279 L HN -0.971 7.151 8.230 0.056 0.141 0.410 280 E N 6.468 126.726 120.200 0.097 0.000 2.256 280 E HA 0.518 4.904 4.350 0.059 0.000 0.267 280 E C -2.697 173.932 176.600 0.049 0.000 0.892 280 E CA -3.388 53.060 56.400 0.081 0.000 0.775 280 E CB 2.389 32.152 29.700 0.105 0.000 1.207 280 E HN 0.757 9.187 8.360 0.116 0.000 0.420 281 P HA -0.084 4.159 4.420 -0.769 -0.284 0.265 281 P C -1.241 175.747 177.300 -0.521 0.000 1.187 281 P CA 0.509 63.287 63.100 -0.536 0.000 0.766 281 P CB 0.336 31.681 31.700 -0.592 0.000 0.820 282 F N 4.797 124.393 119.950 -0.590 0.000 2.424 282 F HA 0.036 4.407 4.527 -0.259 0.000 0.356 282 F C -2.029 173.476 175.800 -0.493 0.000 1.110 282 F CA -0.213 57.556 58.000 -0.386 0.000 1.161 282 F CB 1.863 40.737 39.000 -0.209 0.000 1.115 282 F HN 0.040 8.154 8.300 -0.310 0.000 0.507 283 Y N 7.017 127.065 120.300 -0.419 0.000 2.402 283 Y HA 0.335 4.774 4.550 -0.186 0.000 0.332 283 Y C -1.735 173.868 175.900 -0.494 0.000 0.960 283 Y CA -3.037 54.873 58.100 -0.317 0.000 1.228 283 Y CB 0.141 38.494 38.460 -0.179 0.000 1.120 283 Y HN 0.270 8.242 8.280 -0.514 0.000 0.491 284 P HA -0.314 3.931 4.420 -0.291 0.000 0.215 284 P C 1.018 178.273 177.300 -0.075 0.000 1.153 284 P CA 2.632 65.633 63.100 -0.164 0.000 0.853 284 P CB 0.303 32.019 31.700 0.026 0.000 0.788 285 E N -2.875 117.314 120.200 -0.019 0.000 2.110 285 E HA -0.381 3.953 4.350 -0.027 0.000 0.193 285 E C 1.823 178.456 176.600 0.055 0.000 0.988 285 E CA 3.279 59.686 56.400 0.012 0.000 0.804 285 E CB -0.717 29.003 29.700 0.033 0.000 0.745 285 E HN 0.403 8.769 8.360 0.009 0.000 0.458 286 R N -1.224 119.279 120.500 0.005 0.000 2.119 286 R HA -0.221 4.123 4.340 0.007 0.000 0.222 286 R C 2.138 178.413 176.300 -0.042 0.000 1.088 286 R CA 2.916 59.006 56.100 -0.016 0.000 0.984 286 R CB -0.301 29.968 30.300 -0.052 0.000 0.884 286 R HN -0.641 7.630 8.270 0.003 0.000 0.447 287 L N -0.379 120.781 121.223 -0.105 0.000 2.056 287 L HA -0.227 4.019 4.340 -0.155 0.000 0.207 287 L C 1.076 177.931 176.870 -0.025 0.000 1.078 287 L CA 2.521 57.279 54.840 -0.136 0.000 0.749 287 L CB -0.631 41.274 42.059 -0.257 0.000 0.901 287 L HN -0.227 7.915 8.230 -0.146 0.000 0.433 288 A N -1.393 121.450 122.820 0.037 0.000 1.883 288 A HA -0.421 3.980 4.320 0.136 0.000 0.217 288 A C 1.887 179.582 177.584 0.184 0.000 1.186 288 A CA 3.376 55.489 52.037 0.127 0.000 0.624 288 A CB -0.847 18.209 19.000 0.093 0.000 0.822 288 A HN 0.082 8.240 8.150 0.013 0.000 0.444 289 G N -2.748 106.165 108.800 0.189 0.000 2.418 289 G HA2 -0.355 3.656 3.960 0.085 0.000 0.217 289 G HA3 -0.355 3.690 3.960 0.142 0.000 0.217 289 G C 1.317 176.244 174.900 0.044 0.000 1.158 289 G CA 1.661 46.834 45.100 0.121 0.000 0.771 289 G HN -0.487 7.910 8.290 0.179 0.000 0.545 290 R N 1.407 121.914 120.500 0.011 0.000 2.115 290 R HA -0.125 4.205 4.340 -0.018 0.000 0.226 290 R C 3.204 179.500 176.300 -0.007 0.000 1.100 290 R CA 2.734 58.822 56.100 -0.020 0.000 0.980 290 R CB -0.096 30.167 30.300 -0.063 0.000 0.875 290 R HN -0.540 7.732 8.270 0.004 0.000 0.445 291 I N 0.993 121.573 120.570 0.017 0.000 2.264 291 I HA -0.383 3.816 4.170 0.050 0.000 0.248 291 I C 1.378 177.537 176.117 0.070 0.000 1.111 291 I CA 3.920 65.257 61.300 0.063 0.000 1.382 291 I CB 0.121 38.203 38.000 0.135 0.000 1.060 291 I HN -0.097 8.124 8.210 0.018 0.000 0.418 292 L N -6.361 114.906 121.223 0.073 0.000 2.591 292 L HA -0.100 4.280 4.340 0.067 0.000 0.228 292 L C 0.305 177.193 176.870 0.029 0.000 1.133 292 L CA -0.101 54.777 54.840 0.064 0.000 0.880 292 L CB -0.168 41.943 42.059 0.086 0.000 1.033 292 L HN -0.796 7.371 8.230 0.081 0.112 0.450 293 G N -1.980 106.831 108.800 0.017 0.000 2.159 293 G HA2 -0.389 3.574 3.960 0.004 0.000 0.256 293 G HA3 -0.389 3.571 3.960 0.000 0.000 0.256 293 G C -0.251 174.641 174.900 -0.012 0.000 0.977 293 G CA 0.180 45.281 45.100 0.002 0.000 0.652 293 G HN -0.283 7.722 8.290 0.018 0.296 0.531 294 M N 0.867 120.455 119.600 -0.020 0.000 2.288 294 M HA 0.095 4.550 4.480 -0.042 0.000 0.334 294 M C 0.115 176.392 176.300 -0.038 0.000 1.150 294 M CA 0.839 56.114 55.300 -0.041 0.000 1.118 294 M CB 0.717 33.272 32.600 -0.075 0.000 1.501 294 M HN -0.610 7.629 8.290 -0.013 0.043 0.462 295 G N 0.941 109.715 108.800 -0.043 0.000 2.553 295 G HA2 -0.394 3.541 3.960 -0.042 0.000 0.242 295 G HA3 -0.394 3.541 3.960 -0.042 0.000 0.242 295 G C -1.490 173.391 174.900 -0.032 0.000 1.277 295 G CA -0.200 44.876 45.100 -0.040 0.000 0.910 295 G HN 0.231 8.493 8.290 -0.046 0.000 0.576 296 D N 2.323 122.704 120.400 -0.031 0.000 2.389 296 D HA 0.177 4.803 4.640 -0.024 0.000 0.247 296 D C -0.279 176.007 176.300 -0.024 0.000 1.128 296 D CA 0.567 54.552 54.000 -0.026 0.000 0.884 296 D CB 0.720 41.504 40.800 -0.026 0.000 1.194 296 D HN 0.048 8.398 8.370 -0.034 0.000 0.441 297 V N 0.000 119.903 119.914 -0.019 0.000 2.409 297 V HA 0.000 4.109 4.120 -0.019 0.000 0.244 297 V CA 0.000 62.290 62.300 -0.016 0.000 1.235 297 V CB 0.000 31.815 31.823 -0.013 0.000 1.184 297 V HN 0.000 8.180 8.190 -0.017 0.000 0.556