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 1fbg_1_A DATA FIRST_RESID 7 DATA SEQUENCE DTNIVTLTRF VMEQGRKARG TGEMTQLLNS LCTAVKAIST AVRKAGIAHX DATA SEQUENCE XXXXXXXXXX XXXXXKLDVL SNDLVINVLK SSFATCVLVT EEDKNAIIVE DATA SEQUENCE PEKRGKYVVC FDPLDGSSNI DCLVSIGTIF GIYRKNSTDE PSEKDALQPG DATA SEQUENCE RNLVAAGYAL YGSATMLVLA MVNGVNCFML DPAIGEFILV DRNVKIKKKG DATA SEQUENCE SIYSINEGYA KEFDPAITEY IQRKKFPPDN SAPYGARYVG SMVADVHRTL DATA SEQUENCE VYGGIFMYPA NKKSPKGKLR LLYECNPMAY VMEKAGGLAT TGKEAVLDIV DATA SEQUENCE PTDIHQRAPI ILGSPEDVTE LLEIYQKHA 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 7 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 7 D C 0.000 176.308 176.300 0.014 0.000 2.045 7 D CA 0.000 54.006 54.000 0.010 0.000 0.868 7 D CB 0.000 40.807 40.800 0.012 0.000 0.688 8 T N 0.043 114.605 114.554 0.013 0.000 2.833 8 T HA -0.220 4.130 4.350 -0.000 0.000 0.269 8 T C 1.013 175.724 174.700 0.019 0.000 1.054 8 T CA 1.185 63.293 62.100 0.014 0.000 1.135 8 T CB 0.002 68.877 68.868 0.011 0.000 0.869 8 T HN 0.111 8.357 8.240 0.011 0.000 0.466 9 N N 2.219 120.932 118.700 0.022 0.000 3.112 9 N HA 0.210 4.950 4.740 -0.000 0.000 0.270 9 N C -1.754 173.778 175.510 0.038 0.000 1.385 9 N CA -1.535 51.532 53.050 0.029 0.000 0.986 9 N CB -0.186 38.317 38.487 0.026 0.000 1.261 9 N HN -0.369 8.178 8.380 0.019 -0.155 0.495 10 I N -1.270 119.325 120.570 0.041 0.000 2.517 10 I HA -0.121 4.049 4.170 -0.000 0.000 0.285 10 I C -0.180 175.984 176.117 0.078 0.000 1.106 10 I CA 0.120 61.452 61.300 0.053 0.000 1.402 10 I CB -0.018 38.010 38.000 0.047 0.000 1.399 10 I HN -0.685 7.494 8.210 0.035 0.052 0.535 11 V N 8.517 128.490 119.914 0.098 0.000 2.387 11 V HA 0.068 4.188 4.120 -0.000 0.000 0.260 11 V C 0.099 176.318 176.094 0.209 0.000 1.054 11 V CA -0.084 62.306 62.300 0.150 0.000 0.967 11 V CB -1.115 30.806 31.823 0.164 0.000 1.036 11 V HN 0.491 8.730 8.190 0.082 0.000 0.481 12 T N 4.613 119.288 114.554 0.201 0.000 2.810 12 T HA 0.507 4.857 4.350 -0.000 0.000 0.277 12 T C 0.618 175.491 174.700 0.290 0.000 0.973 12 T CA -0.860 61.374 62.100 0.223 0.000 0.949 12 T CB 1.725 70.673 68.868 0.133 0.000 1.075 12 T HN -0.208 8.127 8.240 0.159 0.000 0.537 13 L N 0.494 121.770 121.223 0.087 0.000 2.005 13 L HA -0.238 4.102 4.340 -0.000 0.000 0.207 13 L C 1.159 177.976 176.870 -0.087 0.000 1.072 13 L CA 4.169 58.774 54.840 -0.392 0.000 0.744 13 L CB -0.302 41.264 42.059 -0.821 0.000 0.895 13 L HN 0.541 8.845 8.230 0.123 0.000 0.433 14 T N -0.873 113.645 114.554 -0.059 0.000 2.684 14 T HA -0.423 3.927 4.350 -0.000 0.000 0.267 14 T C 1.945 176.659 174.700 0.024 0.000 1.036 14 T CA 4.479 66.561 62.100 -0.031 0.000 1.148 14 T CB -0.734 68.118 68.868 -0.025 0.000 0.863 14 T HN 0.048 8.254 8.240 -0.058 0.000 0.436 15 R N 1.215 121.758 120.500 0.073 0.000 2.080 15 R HA -0.359 3.981 4.340 -0.000 0.000 0.236 15 R C 1.556 177.901 176.300 0.074 0.000 1.137 15 R CA 3.693 59.837 56.100 0.073 0.000 0.943 15 R CB -0.236 30.128 30.300 0.106 0.000 0.846 15 R HN -0.333 7.990 8.270 0.088 0.000 0.431 16 F N -0.468 119.533 119.950 0.085 0.000 2.065 16 F HA -0.439 4.088 4.527 -0.000 0.000 0.298 16 F C 1.888 177.728 175.800 0.066 0.000 1.112 16 F CA 3.858 61.932 58.000 0.125 0.000 1.212 16 F CB -0.017 39.169 39.000 0.310 0.000 0.975 16 F HN -0.097 8.318 8.300 0.370 0.108 0.476 17 V N -0.239 119.693 119.914 0.031 0.000 2.261 17 V HA -0.602 3.518 4.120 -0.000 0.000 0.246 17 V C 1.803 177.819 176.094 -0.130 0.000 1.047 17 V CA 4.764 67.041 62.300 -0.038 0.000 1.015 17 V CB -0.650 31.165 31.823 -0.013 0.000 0.642 17 V HN 0.459 8.630 8.190 0.140 0.103 0.446 18 M N -0.524 119.022 119.600 -0.089 0.000 2.106 18 M HA -0.611 3.869 4.480 -0.000 0.000 0.259 18 M C 1.936 178.175 176.300 -0.102 0.000 1.068 18 M CA 4.366 59.622 55.300 -0.074 0.000 1.100 18 M CB -0.094 32.479 32.600 -0.045 0.000 1.351 18 M HN -0.086 8.170 8.290 -0.057 0.000 0.404 19 E N -1.366 118.744 120.200 -0.151 0.000 2.051 19 E HA -0.413 3.937 4.350 -0.000 0.000 0.192 19 E C 2.743 179.219 176.600 -0.205 0.000 0.991 19 E CA 3.160 59.459 56.400 -0.168 0.000 0.799 19 E CB -0.215 29.367 29.700 -0.197 0.000 0.748 19 E HN -0.229 8.036 8.360 -0.157 0.000 0.449 20 Q N -3.255 116.358 119.800 -0.313 0.000 2.369 20 Q HA -0.148 4.192 4.340 -0.000 0.000 0.206 20 Q C 2.566 178.505 176.000 -0.101 0.000 0.963 20 Q CA 1.234 56.910 55.803 -0.212 0.000 0.894 20 Q CB -0.553 28.037 28.738 -0.247 0.000 0.965 20 Q HN -0.411 7.513 8.270 -0.454 0.073 0.475 21 G N -1.419 107.331 108.800 -0.084 0.000 2.421 21 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 21 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 21 G C 1.526 176.412 174.900 -0.023 0.000 1.143 21 G CA 0.628 45.708 45.100 -0.033 0.000 0.784 21 G HN 0.247 8.351 8.290 -0.113 0.119 0.541 22 R N 0.437 120.914 120.500 -0.038 0.000 2.127 22 R HA -0.317 4.023 4.340 -0.000 0.000 0.238 22 R C 0.943 177.231 176.300 -0.020 0.000 1.134 22 R CA 2.785 58.869 56.100 -0.027 0.000 0.975 22 R CB -0.088 30.192 30.300 -0.034 0.000 0.865 22 R HN -0.341 7.894 8.270 -0.058 0.000 0.447 23 K N -5.170 115.214 120.400 -0.026 0.000 2.365 23 K HA -0.148 4.172 4.320 -0.000 0.000 0.199 23 K C 0.374 176.973 176.600 -0.001 0.000 1.045 23 K CA 1.476 57.754 56.287 -0.016 0.000 0.962 23 K CB -0.278 32.208 32.500 -0.023 0.000 0.759 23 K HN -0.442 7.761 8.250 -0.041 0.022 0.469 24 A N -2.760 120.063 122.820 0.005 0.000 2.132 24 A HA 0.026 4.346 4.320 -0.000 0.000 0.213 24 A C -0.252 177.343 177.584 0.019 0.000 1.154 24 A CA 0.130 52.178 52.037 0.020 0.000 0.753 24 A CB 0.527 19.548 19.000 0.036 0.000 0.826 24 A HN -0.490 7.486 8.150 -0.001 0.173 0.469 25 R N -2.626 117.881 120.500 0.011 0.000 3.076 25 R HA -0.258 4.082 4.340 -0.000 0.000 0.261 25 R C -0.476 175.833 176.300 0.014 0.000 0.930 25 R CA 0.249 56.354 56.100 0.008 0.000 0.649 25 R CB -3.069 27.235 30.300 0.007 0.000 1.350 25 R HN -0.442 7.671 8.270 0.005 0.160 0.453 26 G N 0.074 108.885 108.800 0.019 0.000 2.887 26 G HA2 0.174 4.134 3.960 -0.000 0.000 0.277 26 G HA3 0.174 4.134 3.960 -0.000 0.000 0.277 26 G C 0.208 175.123 174.900 0.025 0.000 1.346 26 G CA -0.120 44.998 45.100 0.030 0.000 1.058 26 G HN -0.362 7.937 8.290 0.014 0.000 0.535 27 T N -3.213 111.363 114.554 0.036 0.000 3.088 27 T HA 0.030 4.380 4.350 -0.000 0.000 0.259 27 T C 1.476 176.195 174.700 0.032 0.000 1.122 27 T CA 0.467 62.584 62.100 0.028 0.000 1.095 27 T CB -0.280 68.605 68.868 0.029 0.000 0.930 27 T HN 0.466 8.737 8.240 0.051 0.000 0.508 28 G N 1.814 110.640 108.800 0.043 0.000 2.159 28 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.256 28 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.256 28 G C 0.603 175.538 174.900 0.058 0.000 0.977 28 G CA -0.001 45.119 45.100 0.034 0.000 0.652 28 G HN 0.131 8.385 8.290 0.048 0.065 0.531 29 E N 0.284 120.552 120.200 0.114 0.000 2.106 29 E HA -0.363 3.987 4.350 -0.000 0.000 0.192 29 E C 1.058 177.734 176.600 0.128 0.000 0.984 29 E CA 2.258 58.758 56.400 0.167 0.000 0.806 29 E CB -0.168 29.702 29.700 0.285 0.000 0.750 29 E HN -0.285 8.090 8.360 0.122 0.058 0.458 30 M N -0.949 118.699 119.600 0.079 0.000 2.108 30 M HA -0.314 4.167 4.480 -0.000 0.000 0.261 30 M C 1.225 177.464 176.300 -0.102 0.000 1.066 30 M CA 3.699 58.923 55.300 -0.127 0.000 1.107 30 M CB -0.790 31.738 32.600 -0.119 0.000 1.356 30 M HN 0.162 8.542 8.290 0.150 0.000 0.406 31 T N 0.649 115.175 114.554 -0.046 0.000 2.746 31 T HA -0.352 3.998 4.350 -0.000 0.000 0.267 31 T C 2.687 177.358 174.700 -0.047 0.000 1.039 31 T CA 4.547 66.617 62.100 -0.049 0.000 1.142 31 T CB -0.849 68.003 68.868 -0.027 0.000 0.866 31 T HN 0.027 8.254 8.240 -0.015 0.004 0.444 32 Q N 1.801 121.593 119.800 -0.014 0.000 2.079 32 Q HA -0.268 4.072 4.340 -0.000 0.000 0.200 32 Q C 2.069 178.045 176.000 -0.040 0.000 0.974 32 Q CA 3.185 58.987 55.803 -0.001 0.000 0.840 32 Q CB -0.273 28.498 28.738 0.056 0.000 0.898 32 Q HN -0.432 7.737 8.270 0.011 0.107 0.430 33 L N 0.617 121.804 121.223 -0.060 0.000 1.961 33 L HA -0.360 3.980 4.340 -0.000 0.000 0.210 33 L C 1.842 178.595 176.870 -0.196 0.000 1.072 33 L CA 3.515 58.286 54.840 -0.116 0.000 0.749 33 L CB 0.059 42.031 42.059 -0.146 0.000 0.889 33 L HN 0.362 8.389 8.230 -0.040 0.179 0.432 34 L N -2.849 118.245 121.223 -0.215 0.000 2.083 34 L HA -0.523 3.817 4.340 -0.000 0.000 0.209 34 L C 2.007 178.726 176.870 -0.253 0.000 1.083 34 L CA 3.332 58.006 54.840 -0.277 0.000 0.752 34 L CB -0.659 41.256 42.059 -0.240 0.000 0.899 34 L HN 0.456 8.467 8.230 -0.187 0.107 0.433 35 N N -1.308 117.289 118.700 -0.171 0.000 2.244 35 N HA -0.298 4.442 4.740 -0.000 0.000 0.183 35 N C 2.239 177.670 175.510 -0.132 0.000 1.016 35 N CA 3.305 56.274 53.050 -0.136 0.000 0.866 35 N CB -0.088 38.351 38.487 -0.079 0.000 0.980 35 N HN -0.179 8.048 8.380 -0.138 0.070 0.430 36 S N 0.720 116.338 115.700 -0.136 0.000 2.395 36 S HA -0.195 4.275 4.470 -0.000 0.000 0.225 36 S C 1.690 176.178 174.600 -0.187 0.000 1.027 36 S CA 3.621 61.743 58.200 -0.131 0.000 0.965 36 S CB 0.026 63.155 63.200 -0.118 0.000 0.812 36 S HN -0.177 7.934 8.310 -0.136 0.118 0.482 37 L N 2.457 123.519 121.223 -0.268 0.000 2.013 37 L HA -0.347 3.993 4.340 -0.000 0.000 0.212 37 L C 1.328 178.014 176.870 -0.306 0.000 1.073 37 L CA 3.171 57.792 54.840 -0.365 0.000 0.753 37 L CB -0.410 41.321 42.059 -0.545 0.000 0.890 37 L HN 0.136 7.998 8.230 -0.268 0.207 0.432 38 C N -2.578 116.544 119.300 -0.296 0.000 2.413 38 C HA -0.420 4.040 4.460 -0.000 0.000 0.277 38 C C 1.929 176.882 174.990 -0.062 0.000 1.265 38 C CA 4.761 63.636 59.018 -0.239 0.000 1.752 38 C CB -2.277 25.314 27.740 -0.248 0.000 1.998 38 C HN 0.266 8.314 8.230 -0.309 -0.003 0.489 39 T N 1.534 116.049 114.554 -0.064 0.000 2.833 39 T HA -0.301 4.049 4.350 -0.000 0.000 0.269 39 T C 1.460 176.145 174.700 -0.025 0.000 1.054 39 T CA 4.880 66.966 62.100 -0.022 0.000 1.135 39 T CB -0.559 68.286 68.868 -0.039 0.000 0.869 39 T HN -0.070 8.019 8.240 -0.098 0.092 0.466 40 A N 1.001 123.779 122.820 -0.070 0.000 1.898 40 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 40 A C 1.700 179.286 177.584 0.003 0.000 1.181 40 A CA 3.161 55.161 52.037 -0.061 0.000 0.620 40 A CB -0.877 18.048 19.000 -0.125 0.000 0.819 40 A HN -0.298 7.682 8.150 -0.115 0.101 0.442 41 V N -0.531 119.400 119.914 0.028 0.000 2.343 41 V HA -0.553 3.567 4.120 -0.000 0.000 0.247 41 V C 2.273 178.515 176.094 0.246 0.000 1.051 41 V CA 4.702 67.109 62.300 0.178 0.000 1.036 41 V CB -1.115 30.780 31.823 0.120 0.000 0.654 41 V HN -0.241 7.849 8.190 -0.047 0.072 0.451 42 K N -0.957 119.561 120.400 0.197 0.000 2.001 42 K HA -0.364 3.956 4.320 -0.000 0.000 0.208 42 K C 1.994 178.639 176.600 0.075 0.000 1.048 42 K CA 3.673 60.051 56.287 0.151 0.000 0.932 42 K CB -0.300 32.264 32.500 0.107 0.000 0.715 42 K HN -0.028 8.321 8.250 0.164 0.000 0.437 43 A N -0.540 122.303 122.820 0.039 0.000 1.940 43 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 43 A C 2.417 179.983 177.584 -0.029 0.000 1.176 43 A CA 3.009 55.046 52.037 0.000 0.000 0.631 43 A CB -0.842 18.152 19.000 -0.010 0.000 0.814 43 A HN -0.463 7.713 8.150 0.043 0.000 0.446 44 I N -2.351 118.195 120.570 -0.039 0.000 2.252 44 I HA -0.533 3.637 4.170 -0.000 0.000 0.245 44 I C 1.766 177.735 176.117 -0.246 0.000 1.102 44 I CA 4.118 65.329 61.300 -0.149 0.000 1.385 44 I CB -0.247 37.648 38.000 -0.175 0.000 1.064 44 I HN 0.157 8.365 8.210 0.004 0.004 0.414 45 S N -0.730 114.903 115.700 -0.111 0.000 2.400 45 S HA -0.343 4.127 4.470 -0.000 0.000 0.232 45 S C 2.123 176.699 174.600 -0.039 0.000 1.025 45 S CA 3.943 62.123 58.200 -0.034 0.000 0.993 45 S CB -0.252 63.106 63.200 0.262 0.000 0.808 45 S HN 0.047 8.309 8.310 0.057 0.082 0.478 46 T N 4.028 118.564 114.554 -0.029 0.000 2.812 46 T HA -0.217 4.133 4.350 -0.000 0.000 0.264 46 T C 1.404 176.074 174.700 -0.051 0.000 1.042 46 T CA 4.603 66.686 62.100 -0.028 0.000 1.140 46 T CB -0.425 68.433 68.868 -0.018 0.000 0.870 46 T HN -0.028 8.194 8.240 -0.014 0.010 0.445 47 A N 0.838 123.613 122.820 -0.074 0.000 1.940 47 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 47 A C 2.456 179.989 177.584 -0.086 0.000 1.176 47 A CA 3.053 55.044 52.037 -0.076 0.000 0.631 47 A CB -0.828 18.118 19.000 -0.089 0.000 0.814 47 A HN -0.154 7.864 8.150 -0.080 0.084 0.446 48 V N -1.239 118.599 119.914 -0.128 0.000 2.407 48 V HA -0.342 3.778 4.120 -0.000 0.000 0.245 48 V C 2.571 178.632 176.094 -0.054 0.000 1.041 48 V CA 3.781 66.016 62.300 -0.109 0.000 1.040 48 V CB -0.836 30.884 31.823 -0.172 0.000 0.671 48 V HN 0.077 8.155 8.190 -0.173 0.009 0.455 49 R N 0.010 120.488 120.500 -0.037 0.000 2.303 49 R HA -0.252 4.088 4.340 -0.000 0.000 0.225 49 R C 1.333 177.624 176.300 -0.015 0.000 1.114 49 R CA 2.659 58.751 56.100 -0.013 0.000 1.007 49 R CB -0.092 30.206 30.300 -0.004 0.000 0.861 49 R HN -0.133 8.110 8.270 -0.046 0.000 0.471 50 K N -5.379 115.008 120.400 -0.023 0.000 2.592 50 K HA 0.194 4.514 4.320 -0.000 0.000 0.203 50 K C -1.292 175.295 176.600 -0.021 0.000 1.070 50 K CA -1.078 55.198 56.287 -0.018 0.000 1.062 50 K CB 0.393 32.883 32.500 -0.016 0.000 0.814 50 K HN -0.668 7.533 8.250 -0.031 0.030 0.502 51 A N 0.980 123.784 122.820 -0.026 0.000 2.805 51 A HA 0.128 4.448 4.320 -0.000 0.000 0.301 51 A C -0.244 177.329 177.584 -0.018 0.000 1.557 51 A CA 0.651 52.672 52.037 -0.027 0.000 1.254 51 A CB -2.080 16.897 19.000 -0.038 0.000 1.114 51 A HN 0.192 8.205 8.150 -0.030 0.119 0.553 52 G N 3.166 111.958 108.800 -0.014 0.000 3.897 52 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.207 52 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.207 52 G C -0.741 174.154 174.900 -0.007 0.000 0.872 52 G CA 0.394 45.488 45.100 -0.009 0.000 0.872 52 G HN 0.016 8.281 8.290 -0.015 0.017 0.442 53 I N 4.590 125.155 120.570 -0.009 0.000 2.337 53 I HA -0.122 4.048 4.170 -0.000 0.000 0.291 53 I C -1.360 174.752 176.117 -0.008 0.000 1.046 53 I CA 0.604 61.900 61.300 -0.007 0.000 1.324 53 I CB -0.284 37.711 38.000 -0.008 0.000 1.409 53 I HN -0.448 7.756 8.210 -0.011 0.000 0.494 54 A N 5.846 128.662 122.820 -0.006 0.000 2.541 54 A HA 0.269 4.589 4.320 -0.000 0.000 0.285 54 A C -1.397 176.184 177.584 -0.004 0.000 1.058 54 A CA 0.180 52.214 52.037 -0.006 0.000 0.886 54 A CB 0.697 19.693 19.000 -0.006 0.000 1.411 54 A HN 0.316 8.463 8.150 -0.005 0.000 0.403 73 L N 1.995 123.208 121.223 -0.016 0.000 2.043 73 L HA -0.300 4.040 4.340 -0.000 0.000 0.212 73 L C 0.330 177.188 176.870 -0.021 0.000 1.075 73 L CA 2.384 57.209 54.840 -0.025 0.000 0.752 73 L CB -0.227 41.811 42.059 -0.036 0.000 0.891 73 L HN 0.080 8.301 8.230 -0.015 0.000 0.432 74 D N -1.212 119.180 120.400 -0.013 0.000 2.263 74 D HA -0.463 4.177 4.640 -0.000 0.000 0.193 74 D C 2.446 178.746 176.300 0.001 0.000 1.013 74 D CA 3.806 57.804 54.000 -0.003 0.000 0.892 74 D CB -0.514 40.283 40.800 -0.005 0.000 0.909 74 D HN 0.333 8.694 8.370 -0.014 0.000 0.449 75 V N -0.598 119.314 119.914 -0.004 0.000 2.379 75 V HA -0.215 3.905 4.120 -0.000 0.000 0.243 75 V C 1.519 177.614 176.094 0.001 0.000 1.035 75 V CA 3.491 65.790 62.300 -0.000 0.000 1.035 75 V CB -0.449 31.372 31.823 -0.004 0.000 0.673 75 V HN 0.042 8.046 8.190 -0.007 0.181 0.457 76 L N 0.101 121.320 121.223 -0.008 0.000 1.971 76 L HA -0.548 3.792 4.340 -0.000 0.000 0.215 76 L C 1.440 178.305 176.870 -0.007 0.000 1.072 76 L CA 3.911 58.744 54.840 -0.012 0.000 0.758 76 L CB -0.243 41.803 42.059 -0.022 0.000 0.889 76 L HN -0.364 7.859 8.230 -0.011 0.000 0.433 77 S N -1.837 113.858 115.700 -0.008 0.000 2.374 77 S HA -0.501 3.969 4.470 -0.000 0.000 0.227 77 S C 2.522 177.147 174.600 0.041 0.000 1.037 77 S CA 3.963 62.165 58.200 0.003 0.000 1.024 77 S CB -0.973 62.231 63.200 0.006 0.000 0.861 77 S HN -0.037 8.264 8.310 -0.015 0.000 0.456 78 N N 1.373 120.109 118.700 0.060 0.000 2.207 78 N HA -0.150 4.590 4.740 -0.000 0.000 0.182 78 N C 1.772 177.337 175.510 0.092 0.000 1.020 78 N CA 2.797 55.917 53.050 0.117 0.000 0.858 78 N CB 0.074 38.605 38.487 0.073 0.000 0.991 78 N HN -0.367 7.841 8.380 0.037 0.195 0.427 79 D N 0.848 121.273 120.400 0.041 0.000 2.178 79 D HA -0.235 4.405 4.640 -0.000 0.000 0.202 79 D C 2.372 178.675 176.300 0.005 0.000 0.974 79 D CA 3.250 57.264 54.000 0.023 0.000 0.841 79 D CB -0.276 40.528 40.800 0.007 0.000 0.953 79 D HN 0.163 8.550 8.370 0.028 0.000 0.478 80 L N 0.465 121.684 121.223 -0.007 0.000 1.976 80 L HA -0.299 4.041 4.340 -0.000 0.000 0.209 80 L C 1.655 178.483 176.870 -0.069 0.000 1.071 80 L CA 3.547 58.366 54.840 -0.034 0.000 0.746 80 L CB -0.114 41.925 42.059 -0.033 0.000 0.890 80 L HN 0.301 8.515 8.230 0.003 0.018 0.432 81 V N -0.905 118.956 119.914 -0.087 0.000 2.490 81 V HA -0.476 3.644 4.120 -0.000 0.000 0.250 81 V C 2.277 178.241 176.094 -0.217 0.000 1.061 81 V CA 4.346 66.502 62.300 -0.239 0.000 1.064 81 V CB -0.890 30.667 31.823 -0.442 0.000 0.670 81 V HN -0.337 7.833 8.190 -0.034 0.000 0.461 82 I N 0.128 120.678 120.570 -0.033 0.000 2.163 82 I HA -0.633 3.537 4.170 -0.000 0.000 0.240 82 I C 1.520 177.608 176.117 -0.049 0.000 1.081 82 I CA 4.750 66.062 61.300 0.020 0.000 1.353 82 I CB -0.140 37.915 38.000 0.091 0.000 1.054 82 I HN 0.059 8.283 8.210 0.034 0.007 0.407 83 N N 0.086 118.757 118.700 -0.050 0.000 2.149 83 N HA -0.296 4.444 4.740 -0.000 0.000 0.188 83 N C 2.529 177.982 175.510 -0.095 0.000 1.019 83 N CA 3.650 56.660 53.050 -0.066 0.000 0.857 83 N CB 0.147 38.603 38.487 -0.052 0.000 0.997 83 N HN -0.366 7.994 8.380 -0.033 0.000 0.426 84 V N -2.239 117.608 119.914 -0.112 0.000 2.270 84 V HA -0.306 3.814 4.120 -0.000 0.000 0.245 84 V C 1.608 177.617 176.094 -0.142 0.000 1.043 84 V CA 3.688 65.913 62.300 -0.125 0.000 1.014 84 V CB -0.993 30.743 31.823 -0.145 0.000 0.645 84 V HN 0.066 8.188 8.190 -0.113 0.000 0.447 85 L N -1.655 119.468 121.223 -0.166 0.000 2.079 85 L HA -0.471 3.869 4.340 -0.000 0.000 0.210 85 L C 2.518 179.318 176.870 -0.117 0.000 1.081 85 L CA 2.982 57.733 54.840 -0.149 0.000 0.752 85 L CB -1.080 40.873 42.059 -0.176 0.000 0.896 85 L HN -0.362 7.755 8.230 -0.188 0.000 0.433 86 K N -0.439 119.889 120.400 -0.120 0.000 2.002 86 K HA -0.376 3.944 4.320 -0.000 0.000 0.209 86 K C 2.616 179.050 176.600 -0.277 0.000 1.048 86 K CA 3.854 60.051 56.287 -0.151 0.000 0.930 86 K CB -0.313 32.113 32.500 -0.122 0.000 0.714 86 K HN 0.437 8.623 8.250 -0.107 0.000 0.438 87 S N -0.871 114.668 115.700 -0.268 0.000 2.595 87 S HA -0.131 4.339 4.470 -0.000 0.000 0.235 87 S C 0.813 175.230 174.600 -0.305 0.000 0.974 87 S CA 2.014 59.984 58.200 -0.383 0.000 0.942 87 S CB -0.385 62.693 63.200 -0.202 0.000 0.766 87 S HN -0.376 7.821 8.310 -0.189 0.000 0.536 88 S N 1.253 116.853 115.700 -0.166 0.000 2.453 88 S HA -0.167 4.303 4.470 -0.000 0.000 0.231 88 S C 0.363 175.061 174.600 0.164 0.000 1.005 88 S CA 1.655 59.853 58.200 -0.003 0.000 0.949 88 S CB 0.505 63.691 63.200 -0.024 0.000 0.774 88 S HN -0.626 7.380 8.310 -0.172 0.201 0.510 89 F N -3.051 116.899 119.950 0.000 0.000 3.034 89 F HA -0.426 4.101 4.527 -0.000 0.000 0.286 89 F C -0.979 174.836 175.800 0.025 0.000 0.804 89 F CA 0.910 58.915 58.000 0.009 0.000 1.161 89 F CB -2.438 36.564 39.000 0.004 0.000 1.317 89 F HN -0.103 7.948 8.300 -0.333 0.049 0.453 90 A N -4.883 118.033 122.820 0.159 0.000 2.508 90 A HA 0.305 4.625 4.320 -0.000 0.000 0.250 90 A C -1.418 176.271 177.584 0.175 0.000 1.208 90 A CA -0.066 52.079 52.037 0.179 0.000 0.960 90 A CB 2.310 21.431 19.000 0.201 0.000 1.099 90 A HN -0.154 7.998 8.150 0.095 0.055 0.542 91 T N -5.484 109.133 114.554 0.104 0.000 2.841 91 T HA 0.692 5.042 4.350 -0.000 0.000 0.276 91 T C -0.391 174.350 174.700 0.067 0.000 1.003 91 T CA -2.172 59.993 62.100 0.108 0.000 0.995 91 T CB 2.993 71.910 68.868 0.083 0.000 1.260 91 T HN -0.407 7.869 8.240 0.061 0.000 0.581 92 C N -4.787 114.556 119.300 0.071 0.000 4.665 92 C HA 0.495 4.955 4.460 -0.000 0.000 0.452 92 C C -1.382 173.641 174.990 0.055 0.000 1.647 92 C CA 0.413 59.459 59.018 0.047 0.000 2.146 92 C CB 1.701 29.460 27.740 0.032 0.000 3.201 92 C HN 0.207 8.496 8.230 0.099 0.000 0.626 93 V N 1.512 121.475 119.914 0.083 0.000 2.733 93 V HA 0.666 4.786 4.120 -0.000 0.000 0.306 93 V C -2.616 173.556 176.094 0.130 0.000 1.084 93 V CA -0.018 62.334 62.300 0.087 0.000 0.905 93 V CB 3.122 34.992 31.823 0.080 0.000 1.010 93 V HN -0.798 7.455 8.190 0.105 0.000 0.424 94 L N 4.427 125.731 121.223 0.134 0.000 2.409 94 L HA 0.760 5.100 4.340 -0.000 0.000 0.272 94 L C -1.489 175.444 176.870 0.105 0.000 0.980 94 L CA -1.013 53.956 54.840 0.215 0.000 0.826 94 L CB 2.610 44.844 42.059 0.292 0.000 1.268 94 L HN 0.491 8.679 8.230 0.098 0.101 0.407 95 V N 5.511 125.450 119.914 0.042 0.000 2.417 95 V HA 0.422 4.542 4.120 -0.000 0.000 0.291 95 V C -1.142 174.663 176.094 -0.482 0.000 1.024 95 V CA -0.584 61.671 62.300 -0.075 0.000 0.861 95 V CB 2.203 34.089 31.823 0.106 0.000 0.985 95 V HN 0.372 8.645 8.190 0.139 0.000 0.436 96 T N 7.142 121.347 114.554 -0.581 0.000 2.932 96 T HA 0.452 4.802 4.350 -0.000 0.000 0.289 96 T C 0.231 174.377 174.700 -0.924 0.000 1.039 96 T CA -1.030 60.480 62.100 -0.983 0.000 1.024 96 T CB 2.656 71.038 68.868 -0.810 0.000 1.090 96 T HN 0.071 8.128 8.240 -0.304 0.000 0.496 97 E N 3.690 123.245 120.200 -1.075 0.000 2.049 97 E HA -0.364 3.986 4.350 -0.000 0.000 0.198 97 E C 1.457 177.786 176.600 -0.451 0.000 1.007 97 E CA 3.423 59.358 56.400 -0.776 0.000 0.809 97 E CB 0.126 29.603 29.700 -0.371 0.000 0.749 97 E HN 0.061 7.795 8.360 -1.043 0.000 0.450 98 E N -3.708 116.293 120.200 -0.331 0.000 2.438 98 E HA -0.052 4.298 4.350 -0.000 0.000 0.192 98 E C -0.716 175.809 176.600 -0.127 0.000 1.110 98 E CA 0.057 56.348 56.400 -0.181 0.000 0.893 98 E CB -1.174 28.456 29.700 -0.116 0.000 0.990 98 E HN 0.233 8.365 8.360 -0.374 0.003 0.490 99 D N -0.746 119.585 120.400 -0.115 0.000 2.857 99 D HA 0.158 4.798 4.640 -0.000 0.000 0.227 99 D C -0.382 175.971 176.300 0.088 0.000 1.192 99 D CA -0.542 53.443 54.000 -0.025 0.000 0.857 99 D CB 3.096 43.870 40.800 -0.044 0.000 1.645 99 D HN -0.796 7.420 8.370 -0.164 0.056 0.482 100 K N 3.485 123.933 120.400 0.082 0.000 1.969 100 K HA -0.343 3.977 4.320 -0.000 0.000 0.216 100 K C 0.017 176.652 176.600 0.057 0.000 1.048 100 K CA 2.621 58.979 56.287 0.117 0.000 0.948 100 K CB 0.147 32.677 32.500 0.051 0.000 0.726 100 K HN 0.457 8.731 8.250 0.040 0.000 0.442 101 N N -2.916 115.785 118.700 0.003 0.000 2.478 101 N HA 0.051 4.791 4.740 -0.000 0.000 0.275 101 N C -0.961 174.530 175.510 -0.031 0.000 1.221 101 N CA -0.514 52.509 53.050 -0.044 0.000 0.979 101 N CB 1.802 40.272 38.487 -0.028 0.000 1.202 101 N HN -0.183 8.204 8.380 0.012 0.000 0.564 102 A N -1.138 121.659 122.820 -0.038 0.000 2.366 102 A HA 0.191 4.511 4.320 -0.000 0.000 0.250 102 A C -0.309 177.277 177.584 0.003 0.000 1.099 102 A CA 0.087 52.117 52.037 -0.011 0.000 0.794 102 A CB 0.821 19.821 19.000 -0.001 0.000 1.056 102 A HN 0.225 8.343 8.150 -0.053 0.000 0.499 103 I N 0.086 120.669 120.570 0.022 0.000 2.378 103 I HA 0.163 4.333 4.170 -0.000 0.000 0.291 103 I C -1.488 174.650 176.117 0.035 0.000 0.992 103 I CA -0.735 60.582 61.300 0.030 0.000 1.154 103 I CB 2.181 40.210 38.000 0.048 0.000 1.315 103 I HN 0.249 8.479 8.210 0.033 0.000 0.448 104 I N 6.452 127.035 120.570 0.022 0.000 2.377 104 I HA 0.283 4.453 4.170 -0.000 0.000 0.293 104 I C -0.561 175.565 176.117 0.015 0.000 0.987 104 I CA -2.110 59.202 61.300 0.021 0.000 1.185 104 I CB 0.273 38.280 38.000 0.013 0.000 1.341 104 I HN 0.061 8.280 8.210 0.016 0.000 0.455 105 V N 7.979 127.903 119.914 0.016 0.000 2.686 105 V HA 0.006 4.126 4.120 -0.000 0.000 0.295 105 V C -0.061 176.033 176.094 -0.000 0.000 1.055 105 V CA -0.297 62.005 62.300 0.003 0.000 1.050 105 V CB 0.612 32.438 31.823 0.005 0.000 0.984 105 V HN 0.416 8.518 8.190 0.023 0.101 0.482 106 E N 5.696 125.889 120.200 -0.011 0.000 2.413 106 E HA -0.021 4.329 4.350 -0.000 0.000 0.263 106 E C -1.006 175.597 176.600 0.006 0.000 1.015 106 E CA -0.427 55.970 56.400 -0.006 0.000 0.916 106 E CB -0.502 29.189 29.700 -0.015 0.000 0.947 106 E HN 0.221 8.568 8.360 -0.023 0.000 0.440 107 P HA -0.221 4.199 4.420 -0.000 0.000 0.217 107 P C 1.200 178.530 177.300 0.050 0.000 1.150 107 P CA 2.495 65.611 63.100 0.028 0.000 0.832 107 P CB -0.037 31.676 31.700 0.022 0.000 0.787 108 E N -1.609 118.623 120.200 0.054 0.000 2.209 108 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 108 E C 1.009 177.710 176.600 0.169 0.000 0.993 108 E CA 2.515 58.972 56.400 0.095 0.000 0.819 108 E CB -1.221 28.528 29.700 0.081 0.000 0.745 108 E HN 0.744 9.126 8.360 0.037 0.000 0.477 109 K N -3.093 117.357 120.400 0.083 0.000 2.358 109 K HA 0.157 4.477 4.320 -0.000 0.000 0.200 109 K C -0.892 175.744 176.600 0.060 0.000 1.030 109 K CA -0.946 55.356 56.287 0.025 0.000 1.097 109 K CB 1.130 33.477 32.500 -0.255 0.000 0.862 109 K HN -0.411 7.711 8.250 0.035 0.149 0.534 110 R N -0.936 119.605 120.500 0.069 0.000 2.738 110 R HA -0.159 4.181 4.340 -0.000 0.000 0.268 110 R C 0.200 176.547 176.300 0.077 0.000 1.062 110 R CA 1.042 57.174 56.100 0.054 0.000 1.158 110 R CB 0.703 31.023 30.300 0.035 0.000 1.046 110 R HN -0.746 7.435 8.270 0.072 0.133 0.493 111 G N -0.326 108.506 108.800 0.053 0.000 2.788 111 G HA2 0.273 4.233 3.960 -0.000 0.000 0.293 111 G HA3 0.273 4.233 3.960 -0.000 0.000 0.293 111 G C -2.043 172.833 174.900 -0.040 0.000 1.392 111 G CA -0.146 44.974 45.100 0.034 0.000 0.810 111 G HN 0.048 8.265 8.290 0.041 0.098 0.508 112 K N -1.701 118.595 120.400 -0.173 0.000 2.522 112 K HA 0.021 4.341 4.320 -0.000 0.000 0.194 112 K C -0.851 175.483 176.600 -0.443 0.000 1.026 112 K CA 1.178 57.270 56.287 -0.325 0.000 1.119 112 K CB 0.318 32.559 32.500 -0.432 0.000 0.856 112 K HN 0.036 8.366 8.250 -0.175 -0.184 0.513 113 Y N -1.606 118.724 120.300 0.050 0.000 2.509 113 Y HA 0.511 5.061 4.550 -0.000 0.000 0.341 113 Y C -1.699 174.247 175.900 0.078 0.000 1.038 113 Y CA -1.188 56.950 58.100 0.064 0.000 1.089 113 Y CB 3.353 41.843 38.460 0.051 0.000 1.241 113 Y HN -0.381 7.866 8.280 0.039 0.056 0.468 114 V N 0.898 121.005 119.914 0.322 0.000 2.417 114 V HA 0.560 4.680 4.120 -0.000 0.000 0.291 114 V C -1.501 174.750 176.094 0.262 0.000 1.024 114 V CA -0.815 61.639 62.300 0.256 0.000 0.861 114 V CB 0.880 32.858 31.823 0.258 0.000 0.985 114 V HN 0.845 9.185 8.190 0.414 0.099 0.436 115 V N 5.787 125.848 119.914 0.246 0.000 2.483 115 V HA 0.640 4.760 4.120 -0.000 0.000 0.297 115 V C -0.950 175.364 176.094 0.367 0.000 1.027 115 V CA -1.710 60.747 62.300 0.263 0.000 0.855 115 V CB 2.116 34.053 31.823 0.190 0.000 0.995 115 V HN 0.217 8.550 8.190 0.240 0.000 0.424 116 C N 7.040 126.535 119.300 0.325 0.000 2.350 116 C HA 0.971 5.431 4.460 -0.000 0.000 0.348 116 C C -1.262 173.979 174.990 0.418 0.000 1.260 116 C CA -1.597 57.612 59.018 0.319 0.000 1.966 116 C CB -0.646 27.291 27.740 0.328 0.000 2.380 116 C HN 0.644 9.018 8.230 0.240 0.000 0.535 117 F N 0.048 120.066 119.950 0.112 0.000 2.654 117 F HA 0.579 5.106 4.527 -0.000 0.000 0.308 117 F C -3.021 172.764 175.800 -0.025 0.000 1.108 117 F CA -2.194 55.876 58.000 0.115 0.000 0.957 117 F CB 2.643 41.711 39.000 0.113 0.000 1.309 117 F HN 0.936 9.037 8.300 -0.332 0.000 0.446 118 D N 0.598 121.139 120.400 0.234 0.000 2.381 118 D HA 0.576 5.216 4.640 -0.000 0.000 0.235 118 D C -1.177 175.282 176.300 0.264 0.000 1.068 118 D CA -3.954 50.103 54.000 0.094 0.000 0.832 118 D CB 2.498 43.381 40.800 0.140 0.000 1.101 118 D HN 0.392 8.867 8.370 0.357 0.110 0.515 119 P HA -0.004 4.416 4.420 -0.000 0.000 0.218 119 P C -0.864 176.547 177.300 0.185 0.000 1.152 119 P CA 1.274 64.539 63.100 0.276 0.000 0.826 119 P CB 0.653 32.506 31.700 0.255 0.000 0.790 120 L N -1.674 119.625 121.223 0.126 0.000 2.541 120 L HA 0.143 4.483 4.340 -0.000 0.000 0.266 120 L C -2.028 174.887 176.870 0.076 0.000 0.966 120 L CA 0.153 55.057 54.840 0.108 0.000 0.871 120 L CB 3.129 45.224 42.059 0.060 0.000 1.232 120 L HN -0.532 7.964 8.230 0.098 -0.207 0.408 121 D N 6.139 126.593 120.400 0.091 0.000 2.175 121 D HA 0.241 4.881 4.640 -0.000 0.000 0.248 121 D C 0.162 176.486 176.300 0.040 0.000 1.047 121 D CA -0.919 53.113 54.000 0.053 0.000 0.883 121 D CB 2.285 43.105 40.800 0.033 0.000 1.180 121 D HN 0.180 8.625 8.370 0.126 0.000 0.438 122 G N 4.497 113.310 108.800 0.021 0.000 2.295 122 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.287 122 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.287 122 G C 0.697 175.611 174.900 0.024 0.000 1.055 122 G CA 0.516 45.625 45.100 0.015 0.000 0.922 122 G HN 0.710 9.008 8.290 0.014 0.000 0.503 123 S N 0.735 116.450 115.700 0.024 0.000 2.387 123 S HA -0.435 4.035 4.470 -0.000 0.000 0.230 123 S C 1.383 175.993 174.600 0.016 0.000 1.035 123 S CA 3.188 61.398 58.200 0.018 0.000 1.014 123 S CB -0.309 62.899 63.200 0.012 0.000 0.836 123 S HN 0.261 8.585 8.310 0.024 0.000 0.466 124 S N 1.642 117.354 115.700 0.020 0.000 2.420 124 S HA -0.283 4.187 4.470 -0.000 0.000 0.237 124 S C 1.241 175.855 174.600 0.023 0.000 1.023 124 S CA 2.667 60.881 58.200 0.023 0.000 0.991 124 S CB -0.705 62.514 63.200 0.032 0.000 0.792 124 S HN 0.282 8.605 8.310 0.022 0.000 0.488 125 N N 1.647 120.361 118.700 0.023 0.000 2.398 125 N HA 0.005 4.745 4.740 -0.000 0.000 0.188 125 N C 0.717 176.239 175.510 0.019 0.000 1.122 125 N CA 1.391 54.455 53.050 0.022 0.000 0.866 125 N CB 0.218 38.718 38.487 0.020 0.000 0.970 125 N HN -0.162 8.065 8.380 0.023 0.167 0.462 126 I N 0.393 120.972 120.570 0.016 0.000 2.264 126 I HA -0.518 3.652 4.170 -0.000 0.000 0.248 126 I C 1.325 177.448 176.117 0.009 0.000 1.111 126 I CA 4.230 65.536 61.300 0.010 0.000 1.382 126 I CB -0.274 37.725 38.000 -0.002 0.000 1.060 126 I HN 0.121 8.176 8.210 0.015 0.164 0.418 127 D N 0.744 121.151 120.400 0.010 0.000 2.158 127 D HA -0.223 4.417 4.640 -0.000 0.000 0.197 127 D C 0.722 177.029 176.300 0.012 0.000 0.995 127 D CA 2.980 56.986 54.000 0.010 0.000 0.846 127 D CB -0.321 40.486 40.800 0.013 0.000 0.941 127 D HN 0.075 8.427 8.370 0.011 0.025 0.456 128 C N -3.035 116.274 119.300 0.015 0.000 2.693 128 C HA 0.222 4.682 4.460 -0.000 0.000 0.286 128 C C -0.022 174.977 174.990 0.015 0.000 1.277 128 C CA -1.029 57.999 59.018 0.016 0.000 1.705 128 C CB -0.236 27.517 27.740 0.021 0.000 1.879 128 C HN -0.632 7.571 8.230 0.017 0.037 0.607 129 L N -1.327 119.905 121.223 0.015 0.000 3.742 129 L HA -0.390 3.950 4.340 -0.000 0.000 0.431 129 L C -0.043 176.840 176.870 0.021 0.000 1.220 129 L CA 0.721 55.572 54.840 0.017 0.000 0.863 129 L CB -2.122 39.946 42.059 0.014 0.000 1.751 129 L HN -0.332 7.721 8.230 0.013 0.185 0.922 130 V N -0.836 119.091 119.914 0.022 0.000 2.686 130 V HA -0.031 4.089 4.120 -0.000 0.000 0.295 130 V C 0.264 176.377 176.094 0.033 0.000 1.055 130 V CA 0.194 62.507 62.300 0.020 0.000 1.050 130 V CB 1.042 32.874 31.823 0.015 0.000 0.984 130 V HN -0.645 7.537 8.190 0.021 0.020 0.482 131 S N 6.254 121.971 115.700 0.029 0.000 2.525 131 S HA 0.051 4.521 4.470 -0.000 0.000 0.285 131 S C -0.809 173.823 174.600 0.054 0.000 1.283 131 S CA 0.975 59.202 58.200 0.045 0.000 1.072 131 S CB 0.005 63.220 63.200 0.024 0.000 0.867 131 S HN 0.057 8.377 8.310 0.016 0.000 0.492 132 I N -1.670 118.971 120.570 0.118 0.000 3.436 132 I HA 0.996 5.166 4.170 -0.000 0.000 0.300 132 I C -1.349 174.905 176.117 0.228 0.000 1.131 132 I CA -2.756 58.632 61.300 0.147 0.000 1.001 132 I CB 3.508 41.608 38.000 0.167 0.000 1.305 132 I HN -0.134 8.179 8.210 0.170 0.000 0.494 133 G N -2.528 106.420 108.800 0.248 0.000 2.600 133 G HA2 0.511 4.471 3.960 -0.000 0.000 0.293 133 G HA3 0.511 4.471 3.960 -0.000 0.000 0.293 133 G C -2.691 172.394 174.900 0.308 0.000 1.408 133 G CA -0.198 45.020 45.100 0.198 0.000 0.782 133 G HN -0.540 7.872 8.290 0.202 0.000 0.482 134 T N 1.526 116.241 114.554 0.269 0.000 2.841 134 T HA 0.852 5.202 4.350 -0.000 0.000 0.283 134 T C -1.122 173.748 174.700 0.283 0.000 1.000 134 T CA -0.418 61.861 62.100 0.297 0.000 0.977 134 T CB 1.810 70.874 68.868 0.327 0.000 0.979 134 T HN 0.364 8.593 8.240 0.151 0.101 0.446 135 I N 3.903 124.641 120.570 0.279 0.000 2.785 135 I HA 1.008 5.178 4.170 -0.000 0.000 0.302 135 I C -1.978 174.326 176.117 0.310 0.000 1.069 135 I CA -1.559 59.872 61.300 0.219 0.000 1.045 135 I CB 3.465 41.529 38.000 0.106 0.000 1.236 135 I HN 0.827 9.097 8.210 0.272 0.104 0.429 136 F N 0.424 120.442 119.950 0.114 0.000 2.779 136 F HA 0.861 5.388 4.527 -0.000 0.000 0.316 136 F C -2.428 173.379 175.800 0.010 0.000 1.164 136 F CA -1.780 56.285 58.000 0.108 0.000 0.924 136 F CB 2.501 41.527 39.000 0.044 0.000 1.348 136 F HN -0.060 7.976 8.300 -0.439 0.000 0.467 137 G N -2.507 106.353 108.800 0.100 0.000 2.768 137 G HA2 0.511 4.471 3.960 -0.000 0.000 0.297 137 G HA3 0.511 4.471 3.960 -0.000 0.000 0.297 137 G C -3.116 171.738 174.900 -0.076 0.000 1.430 137 G CA 0.267 45.271 45.100 -0.160 0.000 1.030 137 G HN 0.240 8.705 8.290 0.292 0.000 0.553 138 I N 3.572 124.053 120.570 -0.148 0.000 2.382 138 I HA 0.626 4.796 4.170 -0.000 0.000 0.286 138 I C -1.690 174.388 176.117 -0.065 0.000 1.002 138 I CA -0.930 60.337 61.300 -0.055 0.000 1.135 138 I CB 1.485 39.447 38.000 -0.063 0.000 1.288 138 I HN 0.716 8.777 8.210 -0.249 0.000 0.448 139 Y N 6.072 126.436 120.300 0.107 0.000 2.596 139 Y HA 0.293 4.843 4.550 -0.000 0.000 0.326 139 Y C -1.385 174.655 175.900 0.233 0.000 1.167 139 Y CA -2.161 56.010 58.100 0.118 0.000 1.246 139 Y CB 3.169 41.675 38.460 0.078 0.000 1.347 139 Y HN 0.837 9.168 8.280 0.255 0.102 0.515 140 R N -0.250 120.465 120.500 0.358 0.000 2.445 140 R HA 0.430 4.770 4.340 -0.000 0.000 0.308 140 R C -1.307 175.042 176.300 0.081 0.000 0.961 140 R CA -1.465 54.761 56.100 0.210 0.000 0.862 140 R CB 2.070 32.475 30.300 0.176 0.000 1.144 140 R HN 0.345 8.813 8.270 0.330 0.000 0.447 141 K N 7.453 127.856 120.400 0.006 0.000 2.294 141 K HA -0.122 4.198 4.320 -0.000 0.000 0.288 141 K C -0.580 176.003 176.600 -0.029 0.000 1.072 141 K CA 0.519 56.800 56.287 -0.010 0.000 0.960 141 K CB -0.321 32.169 32.500 -0.017 0.000 1.043 141 K HN 0.323 8.545 8.250 -0.048 0.000 0.455 142 N N 5.655 124.344 118.700 -0.017 0.000 2.290 142 N HA -0.076 4.664 4.740 -0.000 0.000 0.179 142 N C 0.682 176.180 175.510 -0.019 0.000 1.016 142 N CA 1.147 54.187 53.050 -0.017 0.000 0.871 142 N CB 0.211 38.693 38.487 -0.008 0.000 0.987 142 N HN 0.384 8.755 8.380 -0.014 0.000 0.431 143 S N -0.001 115.687 115.700 -0.020 0.000 2.585 143 S HA 0.162 4.632 4.470 -0.000 0.000 0.273 143 S C 0.630 175.220 174.600 -0.017 0.000 1.339 143 S CA -0.207 57.982 58.200 -0.018 0.000 1.028 143 S CB 0.979 64.167 63.200 -0.019 0.000 0.906 143 S HN -0.299 7.997 8.310 -0.023 0.000 0.528 144 T N -4.316 110.230 114.554 -0.014 0.000 3.072 144 T HA -0.032 4.318 4.350 -0.000 0.000 0.266 144 T C -0.334 174.360 174.700 -0.011 0.000 1.127 144 T CA 0.857 62.949 62.100 -0.012 0.000 1.107 144 T CB -0.521 68.341 68.868 -0.010 0.000 0.910 144 T HN 0.324 8.556 8.240 -0.013 0.000 0.513 145 D N 1.498 121.892 120.400 -0.010 0.000 2.588 145 D HA 0.091 4.731 4.640 -0.000 0.000 0.268 145 D C -0.896 175.400 176.300 -0.007 0.000 1.176 145 D CA -1.859 52.136 54.000 -0.008 0.000 1.080 145 D CB 1.199 41.994 40.800 -0.008 0.000 1.186 145 D HN -0.706 7.597 8.370 -0.012 0.060 0.619 146 E N -0.784 119.413 120.200 -0.005 0.000 2.585 146 E HA 0.017 4.367 4.350 -0.000 0.000 0.252 146 E C -1.793 174.805 176.600 -0.003 0.000 0.981 146 E CA -0.887 55.511 56.400 -0.003 0.000 0.943 146 E CB -0.015 29.683 29.700 -0.003 0.000 0.923 146 E HN 0.107 8.463 8.360 -0.005 0.000 0.486 147 P HA -0.041 4.379 4.420 -0.000 0.000 0.267 147 P C -1.553 175.749 177.300 0.003 0.000 1.200 147 P CA 0.413 63.515 63.100 0.003 0.000 0.772 147 P CB 0.467 32.173 31.700 0.010 0.000 0.855 148 S N 1.314 117.016 115.700 0.003 0.000 2.587 148 S HA 0.116 4.586 4.470 -0.000 0.000 0.269 148 S C 0.351 174.950 174.600 -0.002 0.000 1.154 148 S CA -1.182 57.017 58.200 -0.002 0.000 0.824 148 S CB 2.395 65.591 63.200 -0.007 0.000 1.118 148 S HN -0.016 8.504 8.310 0.005 -0.207 0.462 149 E N 1.680 121.876 120.200 -0.007 0.000 2.187 149 E HA -0.364 3.986 4.350 -0.000 0.000 0.199 149 E C 1.854 178.444 176.600 -0.016 0.000 1.004 149 E CA 3.440 59.834 56.400 -0.010 0.000 0.813 149 E CB -0.342 29.341 29.700 -0.028 0.000 0.736 149 E HN 0.544 8.898 8.360 -0.011 0.000 0.468 150 K N -0.809 119.577 120.400 -0.023 0.000 2.152 150 K HA -0.289 4.031 4.320 -0.000 0.000 0.206 150 K C 2.326 178.896 176.600 -0.049 0.000 1.048 150 K CA 2.944 59.210 56.287 -0.034 0.000 0.933 150 K CB -0.533 31.949 32.500 -0.031 0.000 0.721 150 K HN 0.023 8.237 8.250 -0.021 0.024 0.447 151 D N -0.876 119.502 120.400 -0.037 0.000 2.182 151 D HA -0.203 4.437 4.640 -0.000 0.000 0.201 151 D C 0.566 176.822 176.300 -0.073 0.000 0.986 151 D CA 2.727 56.700 54.000 -0.045 0.000 0.847 151 D CB -0.279 40.515 40.800 -0.010 0.000 0.942 151 D HN -0.177 8.059 8.370 -0.022 0.120 0.467 152 A N -3.705 119.095 122.820 -0.033 0.000 2.251 152 A HA 0.068 4.388 4.320 -0.000 0.000 0.209 152 A C 0.402 177.943 177.584 -0.071 0.000 1.187 152 A CA 0.439 52.473 52.037 -0.005 0.000 0.823 152 A CB 0.594 19.645 19.000 0.085 0.000 0.846 152 A HN -0.236 7.754 8.150 -0.012 0.153 0.486 153 L N -0.600 120.557 121.223 -0.111 0.000 2.657 153 L HA 0.084 4.424 4.340 -0.000 0.000 0.239 153 L C -1.320 175.444 176.870 -0.176 0.000 1.215 153 L CA -0.598 54.182 54.840 -0.101 0.000 1.161 153 L CB -1.205 40.818 42.059 -0.060 0.000 1.436 153 L HN 0.091 8.044 8.230 -0.108 0.212 0.414 154 Q N 1.135 120.728 119.800 -0.344 0.000 2.375 154 Q HA 0.369 4.709 4.340 -0.000 0.000 0.271 154 Q C -2.557 173.294 176.000 -0.247 0.000 1.074 154 Q CA -3.779 51.781 55.803 -0.405 0.000 0.808 154 Q CB 2.210 30.505 28.738 -0.738 0.000 1.327 154 Q HN -0.634 7.351 8.270 -0.402 0.045 0.441 155 P HA 0.015 4.435 4.420 -0.000 0.000 0.271 155 P C 0.569 178.011 177.300 0.237 0.000 1.216 155 P CA -0.467 62.679 63.100 0.077 0.000 0.776 155 P CB 1.040 32.772 31.700 0.053 0.000 0.881 156 G N 2.178 111.135 108.800 0.263 0.000 2.532 156 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.222 156 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.222 156 G C 1.758 176.791 174.900 0.221 0.000 1.102 156 G CA 1.875 47.118 45.100 0.239 0.000 0.742 156 G HN 0.322 8.863 8.290 0.199 -0.132 0.577 157 R N 1.135 121.757 120.500 0.203 0.000 2.159 157 R HA -0.259 4.081 4.340 -0.000 0.000 0.237 157 R C 1.078 177.513 176.300 0.225 0.000 1.131 157 R CA 2.095 58.313 56.100 0.198 0.000 0.982 157 R CB -0.403 29.974 30.300 0.130 0.000 0.868 157 R HN -0.352 7.969 8.270 0.168 0.049 0.453 158 N N -3.884 114.963 118.700 0.244 0.000 2.463 158 N HA -0.003 4.737 4.740 -0.000 0.000 0.181 158 N C 0.367 176.043 175.510 0.278 0.000 1.078 158 N CA 0.335 53.531 53.050 0.243 0.000 0.902 158 N CB 0.557 39.157 38.487 0.188 0.000 0.970 158 N HN -0.192 8.200 8.380 0.269 0.150 0.451 159 L N -0.434 120.889 121.223 0.167 0.000 2.593 159 L HA -0.271 4.069 4.340 -0.000 0.000 0.287 159 L C 0.195 177.014 176.870 -0.086 0.000 1.243 159 L CA 1.269 55.996 54.840 -0.188 0.000 0.890 159 L CB 0.173 41.760 42.059 -0.787 0.000 1.134 159 L HN -0.686 7.479 8.230 0.163 0.163 0.502 160 V N 1.080 120.963 119.914 -0.052 0.000 2.685 160 V HA 0.239 4.359 4.120 -0.000 0.000 0.244 160 V C -1.094 174.998 176.094 -0.003 0.000 1.054 160 V CA 0.265 62.597 62.300 0.054 0.000 1.076 160 V CB 1.799 33.700 31.823 0.130 0.000 0.725 160 V HN 0.011 8.155 8.190 -0.076 0.000 0.467 161 A N -2.539 120.185 122.820 -0.161 0.000 2.549 161 A HA 0.636 4.956 4.320 -0.000 0.000 0.297 161 A C -3.035 174.395 177.584 -0.256 0.000 1.061 161 A CA -0.575 51.396 52.037 -0.111 0.000 0.690 161 A CB 3.229 22.204 19.000 -0.043 0.000 1.287 161 A HN -0.688 7.323 8.150 -0.233 0.000 0.402 162 A N -0.126 122.580 122.820 -0.190 0.000 2.568 162 A HA 1.040 5.360 4.320 -0.000 0.000 0.291 162 A C -2.007 175.344 177.584 -0.387 0.000 1.159 162 A CA -1.393 50.428 52.037 -0.359 0.000 0.679 162 A CB 3.133 21.934 19.000 -0.332 0.000 1.285 162 A HN 0.565 8.707 8.150 -0.014 0.000 0.428 163 G N -3.588 104.827 108.800 -0.642 0.000 2.362 163 G HA2 0.182 4.142 3.960 -0.000 0.000 0.288 163 G HA3 0.182 4.142 3.960 -0.000 0.000 0.288 163 G C -3.183 171.329 174.900 -0.647 0.000 1.305 163 G CA 0.763 45.554 45.100 -0.515 0.000 0.910 163 G HN -0.453 7.384 8.290 -0.755 0.000 0.518 164 Y N -5.555 114.599 120.300 -0.243 0.000 2.689 164 Y HA 0.840 5.390 4.550 -0.000 0.000 0.333 164 Y C -3.022 172.875 175.900 -0.006 0.000 1.208 164 Y CA -2.336 55.706 58.100 -0.096 0.000 1.055 164 Y CB 2.232 40.615 38.460 -0.128 0.000 1.304 164 Y HN 0.315 8.111 8.280 -0.806 0.000 0.455 165 A N -1.890 120.992 122.820 0.103 0.000 2.330 165 A HA 0.743 5.063 4.320 -0.000 0.000 0.313 165 A C -2.891 174.524 177.584 -0.282 0.000 1.124 165 A CA -1.735 50.224 52.037 -0.130 0.000 0.774 165 A CB 2.264 21.170 19.000 -0.157 0.000 1.198 165 A HN 0.673 8.954 8.150 0.218 0.000 0.465 166 L N 3.720 124.763 121.223 -0.299 0.000 2.309 166 L HA 0.685 5.025 4.340 -0.000 0.000 0.282 166 L C -2.074 174.504 176.870 -0.486 0.000 1.036 166 L CA -1.730 52.930 54.840 -0.301 0.000 0.806 166 L CB 3.290 45.277 42.059 -0.120 0.000 1.220 166 L HN 0.709 8.689 8.230 -0.240 0.106 0.429 167 Y N 4.818 125.148 120.300 0.050 0.000 2.919 167 Y HA 0.361 4.911 4.550 -0.000 0.000 0.341 167 Y C -0.758 175.154 175.900 0.020 0.000 1.045 167 Y CA -1.657 56.464 58.100 0.035 0.000 1.218 167 Y CB -0.858 37.623 38.460 0.034 0.000 1.137 167 Y HN 0.958 9.203 8.280 -0.059 0.000 0.577 168 G N 0.861 109.717 108.800 0.095 0.000 3.286 168 G HA2 0.384 4.344 3.960 -0.000 0.000 0.166 168 G HA3 0.384 4.344 3.960 -0.000 0.000 0.166 168 G C -0.522 174.410 174.900 0.053 0.000 1.155 168 G CA -1.106 44.032 45.100 0.064 0.000 0.871 168 G HN -0.714 7.610 8.290 0.058 0.000 0.637 169 S N 0.216 115.936 115.700 0.034 0.000 2.469 169 S HA -0.140 4.330 4.470 -0.000 0.000 0.238 169 S C -0.191 174.420 174.600 0.019 0.000 0.998 169 S CA 1.683 59.898 58.200 0.025 0.000 0.957 169 S CB 0.021 63.232 63.200 0.018 0.000 0.764 169 S HN 0.212 8.541 8.310 0.032 0.000 0.514 170 A N -0.095 122.736 122.820 0.018 0.000 2.572 170 A HA 0.209 4.529 4.320 -0.000 0.000 0.295 170 A C -1.627 175.958 177.584 0.002 0.000 1.072 170 A CA -0.389 51.650 52.037 0.003 0.000 0.691 170 A CB 2.019 21.015 19.000 -0.007 0.000 1.291 170 A HN -0.738 7.370 8.150 0.021 0.055 0.404 171 T N 2.385 116.934 114.554 -0.008 0.000 2.806 171 T HA 0.561 4.911 4.350 -0.000 0.000 0.290 171 T C -1.507 173.191 174.700 -0.003 0.000 0.966 171 T CA 0.398 62.497 62.100 -0.002 0.000 1.060 171 T CB 0.289 69.187 68.868 0.051 0.000 0.927 171 T HN 0.534 8.757 8.240 -0.030 0.000 0.485 172 M N 5.966 125.558 119.600 -0.013 0.000 2.518 172 M HA 0.941 5.421 4.480 -0.000 0.000 0.300 172 M C -2.763 173.530 176.300 -0.012 0.000 1.175 172 M CA -1.256 54.049 55.300 0.008 0.000 0.890 172 M CB 4.356 36.884 32.600 -0.119 0.000 1.710 172 M HN 0.597 8.826 8.290 -0.102 0.000 0.453 173 L N 4.730 125.973 121.223 0.033 0.000 2.446 173 L HA 0.725 5.065 4.340 -0.000 0.000 0.268 173 L C -2.801 173.995 176.870 -0.123 0.000 0.975 173 L CA -0.845 53.926 54.840 -0.116 0.000 0.848 173 L CB 3.109 45.051 42.059 -0.194 0.000 1.225 173 L HN 0.803 9.108 8.230 0.125 0.000 0.410 174 V N 7.147 126.819 119.914 -0.403 0.000 2.439 174 V HA 0.700 4.820 4.120 -0.000 0.000 0.282 174 V C -2.001 173.931 176.094 -0.270 0.000 1.039 174 V CA -0.928 61.170 62.300 -0.337 0.000 0.913 174 V CB 1.323 32.816 31.823 -0.548 0.000 0.983 174 V HN 0.451 8.225 8.190 -0.692 0.000 0.460 175 L N 7.653 128.840 121.223 -0.060 0.000 2.409 175 L HA 0.755 5.095 4.340 -0.000 0.000 0.272 175 L C -2.796 174.101 176.870 0.044 0.000 0.980 175 L CA -0.921 53.927 54.840 0.013 0.000 0.826 175 L CB 4.389 46.505 42.059 0.096 0.000 1.268 175 L HN 0.735 8.960 8.230 -0.009 0.000 0.407 176 A N 6.842 129.699 122.820 0.062 0.000 2.267 176 A HA 0.860 5.180 4.320 -0.000 0.000 0.315 176 A C -2.033 175.688 177.584 0.229 0.000 1.297 176 A CA -1.392 50.719 52.037 0.122 0.000 0.865 176 A CB 1.363 20.454 19.000 0.152 0.000 1.165 176 A HN 1.044 9.100 8.150 0.034 0.114 0.513 177 M N 3.837 123.554 119.600 0.195 0.000 2.852 177 M HA 0.588 5.068 4.480 -0.000 0.000 0.301 177 M C 1.075 177.480 176.300 0.175 0.000 1.229 177 M CA -1.394 54.040 55.300 0.223 0.000 0.832 177 M CB 3.540 36.249 32.600 0.181 0.000 1.726 177 M HN 0.544 8.923 8.290 0.149 0.000 0.497 178 V N 0.154 120.171 119.914 0.172 0.000 2.764 178 V HA -0.453 3.667 4.120 -0.000 0.000 0.261 178 V C -0.189 175.944 176.094 0.064 0.000 1.108 178 V CA 3.103 65.471 62.300 0.114 0.000 1.129 178 V CB -0.227 31.666 31.823 0.116 0.000 0.701 178 V HN 0.622 8.927 8.190 0.190 0.000 0.495 179 N N -6.051 112.697 118.700 0.080 0.000 2.250 179 N HA 0.034 4.774 4.740 -0.000 0.000 0.190 179 N C -0.103 175.438 175.510 0.051 0.000 1.116 179 N CA -0.260 52.829 53.050 0.065 0.000 0.881 179 N CB 1.139 39.681 38.487 0.091 0.000 1.006 179 N HN -0.155 8.230 8.380 0.110 0.061 0.491 180 G N -2.145 106.683 108.800 0.047 0.000 2.320 180 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.297 180 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.297 180 G C -3.409 171.499 174.900 0.014 0.000 1.344 180 G CA 0.223 45.333 45.100 0.017 0.000 0.851 180 G HN -0.506 7.716 8.290 0.065 0.107 0.567 181 V N -0.579 119.324 119.914 -0.019 0.000 2.483 181 V HA 0.677 4.797 4.120 -0.000 0.000 0.295 181 V C -1.220 174.831 176.094 -0.071 0.000 1.035 181 V CA -1.809 60.475 62.300 -0.026 0.000 0.896 181 V CB 1.528 33.337 31.823 -0.024 0.000 0.986 181 V HN 0.388 8.561 8.190 -0.028 0.000 0.447 182 N N 4.252 122.887 118.700 -0.109 0.000 2.331 182 N HA 0.627 5.367 4.740 -0.000 0.000 0.280 182 N C -2.288 173.070 175.510 -0.253 0.000 1.155 182 N CA -0.345 52.548 53.050 -0.260 0.000 0.822 182 N CB 4.692 42.888 38.487 -0.486 0.000 1.619 182 N HN 0.235 8.578 8.380 -0.061 0.000 0.476 183 C N 0.516 119.610 119.300 -0.343 0.000 2.322 183 C HA 0.800 5.260 4.460 -0.000 0.000 0.324 183 C C -1.221 173.570 174.990 -0.332 0.000 1.249 183 C CA -0.613 58.284 59.018 -0.201 0.000 1.453 183 C CB 0.581 28.274 27.740 -0.078 0.000 2.145 183 C HN 0.900 8.777 8.230 -0.406 0.109 0.466 184 F N 3.727 123.636 119.950 -0.069 0.000 2.425 184 F HA 0.757 5.284 4.527 -0.000 0.000 0.331 184 F C -1.740 174.128 175.800 0.113 0.000 1.085 184 F CA -1.716 56.301 58.000 0.028 0.000 1.028 184 F CB 2.704 41.751 39.000 0.078 0.000 1.177 184 F HN 1.007 9.487 8.300 0.300 0.000 0.487 185 M N 1.431 121.175 119.600 0.241 0.000 2.321 185 M HA 0.649 5.129 4.480 -0.000 0.000 0.315 185 M C -1.948 174.310 176.300 -0.070 0.000 1.052 185 M CA -1.589 53.765 55.300 0.090 0.000 0.936 185 M CB 3.756 36.364 32.600 0.013 0.000 1.639 185 M HN 0.888 9.202 8.290 0.214 0.105 0.433 186 L N 6.461 127.467 121.223 -0.361 0.000 2.418 186 L HA 0.109 4.449 4.340 -0.000 0.000 0.274 186 L C -1.585 175.074 176.870 -0.351 0.000 1.135 186 L CA 0.536 54.900 54.840 -0.794 0.000 0.870 186 L CB 0.534 41.955 42.059 -1.064 0.000 1.154 186 L HN 0.703 8.794 8.230 -0.232 0.000 0.462 187 D N 7.959 128.204 120.400 -0.258 0.000 2.365 187 D HA 0.263 4.902 4.640 -0.000 0.000 0.237 187 D C -0.284 175.933 176.300 -0.138 0.000 1.190 187 D CA -3.024 50.894 54.000 -0.137 0.000 0.867 187 D CB 1.511 42.265 40.800 -0.078 0.000 1.050 187 D HN 0.357 8.557 8.370 -0.283 0.000 0.491 188 P HA -0.010 4.410 4.420 -0.000 0.000 0.229 188 P C -0.361 176.903 177.300 -0.060 0.000 1.160 188 P CA 0.863 63.908 63.100 -0.091 0.000 0.777 188 P CB 0.114 31.773 31.700 -0.069 0.000 0.814 189 A N -0.791 121.999 122.820 -0.051 0.000 2.014 189 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 189 A C 0.940 178.505 177.584 -0.031 0.000 1.163 189 A CA 1.699 53.716 52.037 -0.034 0.000 0.652 189 A CB 0.363 19.347 19.000 -0.027 0.000 0.808 189 A HN -0.051 8.188 8.150 -0.055 -0.122 0.449 190 I N -10.314 110.233 120.570 -0.038 0.000 4.240 190 I HA 0.325 4.495 4.170 -0.000 0.000 0.331 190 I C 0.628 176.726 176.117 -0.030 0.000 1.381 190 I CA -1.106 60.178 61.300 -0.026 0.000 1.136 190 I CB 1.260 39.251 38.000 -0.015 0.000 1.137 190 I HN -0.559 7.605 8.210 -0.053 0.013 0.411 191 G N 1.144 109.910 108.800 -0.056 0.000 2.314 191 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.292 191 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.292 191 G C -1.258 173.624 174.900 -0.031 0.000 1.059 191 G CA 0.785 45.854 45.100 -0.052 0.000 0.982 191 G HN -0.150 8.096 8.290 -0.073 0.000 0.505 192 E N -1.586 118.568 120.200 -0.076 0.000 2.356 192 E HA 0.372 4.722 4.350 -0.000 0.000 0.275 192 E C -2.024 174.545 176.600 -0.051 0.000 0.904 192 E CA -2.060 54.349 56.400 0.014 0.000 0.757 192 E CB 4.645 34.370 29.700 0.041 0.000 1.232 192 E HN -0.777 7.500 8.360 -0.138 0.000 0.442 193 F N 1.210 121.163 119.950 0.005 0.000 2.404 193 F HA 0.352 4.879 4.527 -0.000 0.000 0.358 193 F C -0.564 175.323 175.800 0.145 0.000 1.120 193 F CA -0.192 57.833 58.000 0.042 0.000 1.144 193 F CB 0.730 39.704 39.000 -0.043 0.000 1.133 193 F HN 0.459 9.014 8.300 0.424 0.000 0.495 194 I N 3.511 124.255 120.570 0.290 0.000 2.359 194 I HA 0.442 4.612 4.170 -0.000 0.000 0.294 194 I C -1.103 175.155 176.117 0.234 0.000 0.987 194 I CA -2.663 58.784 61.300 0.245 0.000 1.225 194 I CB 0.660 38.717 38.000 0.095 0.000 1.366 194 I HN 0.589 8.896 8.210 0.161 0.000 0.466 195 L N 9.000 130.301 121.223 0.130 0.000 2.500 195 L HA -0.065 4.275 4.340 -0.000 0.000 0.272 195 L C -1.106 175.617 176.870 -0.245 0.000 1.149 195 L CA 1.300 55.907 54.840 -0.389 0.000 0.897 195 L CB -0.162 41.633 42.059 -0.440 0.000 1.178 195 L HN -0.265 8.100 8.230 0.225 0.000 0.473 196 V N 1.165 120.923 119.914 -0.261 0.000 3.371 196 V HA 0.397 4.517 4.120 -0.000 0.000 0.246 196 V C 0.064 176.059 176.094 -0.165 0.000 1.303 196 V CA -0.230 61.981 62.300 -0.149 0.000 1.156 196 V CB 1.061 32.837 31.823 -0.078 0.000 0.929 196 V HN 0.623 8.604 8.190 -0.348 0.000 0.459 197 D N 2.241 122.508 120.400 -0.221 0.000 2.505 197 D HA 0.341 4.981 4.640 -0.000 0.000 0.249 197 D C -1.643 174.519 176.300 -0.229 0.000 1.082 197 D CA -0.132 53.766 54.000 -0.171 0.000 0.839 197 D CB 3.301 44.038 40.800 -0.105 0.000 1.317 197 D HN 0.158 8.244 8.370 -0.297 0.106 0.497 198 R N 1.395 121.793 120.500 -0.170 0.000 2.664 198 R HA 0.259 4.599 4.340 -0.000 0.000 0.286 198 R C -0.985 175.254 176.300 -0.102 0.000 0.967 198 R CA -1.297 54.704 56.100 -0.166 0.000 0.933 198 R CB 1.532 31.762 30.300 -0.117 0.000 1.146 198 R HN 0.307 8.503 8.270 -0.123 0.000 0.468 199 N N -0.411 118.236 118.700 -0.089 0.000 2.689 199 N HA -0.395 4.345 4.740 -0.000 0.000 0.263 199 N C 0.546 176.027 175.510 -0.048 0.000 0.987 199 N CA 0.521 53.542 53.050 -0.048 0.000 0.782 199 N CB -0.342 38.133 38.487 -0.022 0.000 0.903 199 N HN 0.311 8.619 8.380 -0.119 0.000 0.547 200 V N -0.180 119.700 119.914 -0.057 0.000 2.673 200 V HA -0.168 3.952 4.120 -0.000 0.000 0.303 200 V C -0.853 175.218 176.094 -0.039 0.000 1.046 200 V CA 1.497 63.769 62.300 -0.048 0.000 1.126 200 V CB 0.111 31.907 31.823 -0.044 0.000 0.934 200 V HN -0.201 7.947 8.190 -0.070 0.000 0.487 201 K N 3.723 124.100 120.400 -0.038 0.000 2.468 201 K HA 0.401 4.721 4.320 -0.000 0.000 0.252 201 K C -1.258 175.319 176.600 -0.038 0.000 0.932 201 K CA -1.438 54.828 56.287 -0.035 0.000 0.794 201 K CB 3.152 35.632 32.500 -0.033 0.000 1.241 201 K HN -0.111 8.115 8.250 -0.040 0.000 0.428 202 I N 4.071 124.620 120.570 -0.034 0.000 2.662 202 I HA 0.047 4.217 4.170 -0.000 0.000 0.291 202 I C -1.111 174.981 176.117 -0.042 0.000 1.046 202 I CA -0.669 60.609 61.300 -0.037 0.000 1.361 202 I CB 1.841 39.827 38.000 -0.023 0.000 1.429 202 I HN 0.665 8.857 8.210 -0.030 0.000 0.558 203 K N 6.825 127.189 120.400 -0.060 0.000 2.355 203 K HA -0.066 4.254 4.320 -0.000 0.000 0.270 203 K C 0.345 176.921 176.600 -0.041 0.000 1.003 203 K CA 0.703 56.951 56.287 -0.066 0.000 0.957 203 K CB 0.226 32.661 32.500 -0.108 0.000 0.939 203 K HN 0.326 8.534 8.250 -0.070 0.000 0.482 204 K N 0.374 120.755 120.400 -0.030 0.000 2.009 204 K HA -0.285 4.035 4.320 -0.000 0.000 0.210 204 K C 0.471 177.075 176.600 0.007 0.000 1.049 204 K CA 2.995 59.277 56.287 -0.008 0.000 0.929 204 K CB 0.392 32.889 32.500 -0.004 0.000 0.714 204 K HN 0.209 8.437 8.250 -0.036 0.000 0.440 205 K N -2.858 117.538 120.400 -0.006 0.000 2.469 205 K HA 0.142 4.462 4.320 -0.000 0.000 0.254 205 K C -1.648 174.919 176.600 -0.055 0.000 0.939 205 K CA -1.458 54.835 56.287 0.011 0.000 0.812 205 K CB 2.631 35.155 32.500 0.039 0.000 1.301 205 K HN -0.628 7.605 8.250 -0.028 0.000 0.433 206 G N 0.249 108.991 108.800 -0.098 0.000 2.727 206 G HA2 0.442 4.402 3.960 -0.000 0.000 0.289 206 G HA3 0.442 4.402 3.960 -0.000 0.000 0.289 206 G C -1.840 172.811 174.900 -0.415 0.000 1.418 206 G CA -0.747 44.233 45.100 -0.200 0.000 0.818 206 G HN -0.489 8.084 8.290 -0.059 -0.319 0.486 207 S N -1.621 113.863 115.700 -0.360 0.000 2.552 207 S HA 0.170 4.640 4.470 -0.000 0.000 0.246 207 S C -0.737 173.644 174.600 -0.366 0.000 1.019 207 S CA -0.507 57.375 58.200 -0.530 0.000 1.045 207 S CB 0.520 63.621 63.200 -0.164 0.000 0.784 207 S HN 0.231 8.413 8.310 -0.213 0.000 0.453 208 I N 0.500 120.935 120.570 -0.224 0.000 2.656 208 I HA 0.506 4.676 4.170 -0.000 0.000 0.292 208 I C -2.392 173.902 176.117 0.295 0.000 1.144 208 I CA -0.847 60.498 61.300 0.075 0.000 1.038 208 I CB 3.242 41.296 38.000 0.090 0.000 1.244 208 I HN -0.615 7.372 8.210 -0.281 0.054 0.420 209 Y N 3.401 123.869 120.300 0.281 0.000 2.509 209 Y HA 0.719 5.269 4.550 -0.000 0.000 0.341 209 Y C -2.487 173.524 175.900 0.186 0.000 1.038 209 Y CA -3.393 54.868 58.100 0.269 0.000 1.089 209 Y CB 2.804 41.456 38.460 0.319 0.000 1.241 209 Y HN 0.769 9.086 8.280 0.061 0.000 0.468 210 S N 0.946 116.766 115.700 0.200 0.000 2.672 210 S HA 0.724 5.194 4.470 -0.000 0.000 0.291 210 S C -2.300 172.306 174.600 0.011 0.000 1.145 210 S CA -1.248 57.049 58.200 0.162 0.000 1.013 210 S CB 1.883 65.297 63.200 0.357 0.000 1.017 210 S HN 0.111 8.587 8.310 0.277 0.000 0.487 211 I N 2.850 123.362 120.570 -0.098 0.000 2.842 211 I HA 0.084 4.254 4.170 -0.000 0.000 0.296 211 I C -2.747 172.782 176.117 -0.981 0.000 1.538 211 I CA -0.639 60.392 61.300 -0.448 0.000 0.994 211 I CB 4.290 42.077 38.000 -0.355 0.000 1.372 211 I HN -0.232 7.940 8.210 -0.063 0.000 0.478 212 N N 5.205 123.202 118.700 -1.173 0.000 2.421 212 N HA -0.029 4.711 4.740 -0.000 0.000 0.260 212 N C 0.706 175.977 175.510 -0.398 0.000 1.173 212 N CA -0.391 51.972 53.050 -1.146 0.000 0.960 212 N CB -0.566 37.280 38.487 -1.068 0.000 1.273 212 N HN 0.467 8.311 8.380 -0.893 0.000 0.497 213 E N 7.124 127.171 120.200 -0.255 0.000 2.347 213 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 213 E C 1.739 178.304 176.600 -0.059 0.000 1.008 213 E CA 2.027 58.443 56.400 0.027 0.000 0.852 213 E CB -0.089 29.630 29.700 0.031 0.000 0.783 213 E HN -0.047 8.071 8.360 -0.403 0.000 0.505 214 G N -0.551 108.176 108.800 -0.120 0.000 2.470 214 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.220 214 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.220 214 G C 0.817 175.737 174.900 0.032 0.000 1.121 214 G CA 1.337 46.407 45.100 -0.050 0.000 0.766 214 G HN -0.290 8.053 8.290 -0.202 -0.174 0.553 215 Y N -0.179 119.972 120.300 -0.249 0.000 2.470 215 Y HA 0.068 4.618 4.550 -0.000 0.000 0.302 215 Y C 0.722 176.028 175.900 -0.990 0.000 1.194 215 Y CA -3.372 54.489 58.100 -0.398 0.000 1.271 215 Y CB -2.334 36.025 38.460 -0.170 0.000 1.092 215 Y HN -0.674 7.533 8.280 -0.062 0.036 0.513 216 A N 1.026 123.359 122.820 -0.812 0.000 1.927 216 A HA -0.430 3.890 4.320 -0.000 0.000 0.220 216 A C 1.964 179.173 177.584 -0.625 0.000 1.185 216 A CA 3.478 54.951 52.037 -0.941 0.000 0.639 216 A CB -0.888 17.907 19.000 -0.342 0.000 0.820 216 A HN -0.081 7.626 8.150 -0.433 0.183 0.451 217 K N -3.562 116.619 120.400 -0.364 0.000 2.103 217 K HA -0.282 4.038 4.320 -0.000 0.000 0.207 217 K C 1.446 177.929 176.600 -0.195 0.000 1.048 217 K CA 2.719 58.878 56.287 -0.214 0.000 0.930 217 K CB -0.392 32.020 32.500 -0.145 0.000 0.716 217 K HN 0.286 8.334 8.250 -0.315 0.013 0.444 218 E N -5.509 114.532 120.200 -0.266 0.000 2.442 218 E HA 0.056 4.406 4.350 -0.000 0.000 0.195 218 E C 0.361 176.952 176.600 -0.014 0.000 1.030 218 E CA -0.392 55.918 56.400 -0.150 0.000 0.869 218 E CB 0.455 30.047 29.700 -0.180 0.000 0.857 218 E HN -0.300 7.666 8.360 -0.391 0.160 0.505 219 F N 1.204 121.144 119.950 -0.017 0.000 2.484 219 F HA -0.085 4.442 4.527 -0.000 0.000 0.360 219 F C 0.880 176.661 175.800 -0.031 0.000 1.101 219 F CA -1.562 56.425 58.000 -0.022 0.000 1.251 219 F CB 0.050 39.032 39.000 -0.030 0.000 1.132 219 F HN -0.697 7.217 8.300 -0.391 0.152 0.570 220 D N 3.668 124.174 120.400 0.176 0.000 2.368 220 D HA 0.182 4.822 4.640 -0.000 0.000 0.240 220 D C -0.867 175.418 176.300 -0.024 0.000 1.169 220 D CA -1.218 52.819 54.000 0.061 0.000 0.906 220 D CB -0.560 40.274 40.800 0.057 0.000 1.187 220 D HN 0.102 8.589 8.370 0.194 0.000 0.435 221 P HA -0.325 4.095 4.420 -0.000 0.000 0.216 221 P C 0.429 177.521 177.300 -0.347 0.000 1.154 221 P CA 2.776 65.820 63.100 -0.094 0.000 0.865 221 P CB -0.074 31.651 31.700 0.043 0.000 0.789 222 A N -2.946 119.468 122.820 -0.676 0.000 1.908 222 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 222 A C 2.247 179.519 177.584 -0.519 0.000 1.181 222 A CA 3.085 54.544 52.037 -0.962 0.000 0.627 222 A CB -0.899 17.197 19.000 -1.506 0.000 0.818 222 A HN 0.010 7.814 8.150 -0.577 0.000 0.445 223 I N -2.394 117.945 120.570 -0.385 0.000 2.133 223 I HA -0.443 3.727 4.170 -0.000 0.000 0.238 223 I C 1.999 178.061 176.117 -0.090 0.000 1.074 223 I CA 3.019 64.192 61.300 -0.211 0.000 1.342 223 I CB -1.349 36.511 38.000 -0.233 0.000 1.053 223 I HN -0.456 7.497 8.210 -0.409 0.012 0.404 224 T N 1.213 115.751 114.554 -0.027 0.000 2.788 224 T HA -0.357 3.993 4.350 -0.000 0.000 0.268 224 T C 1.827 176.530 174.700 0.005 0.000 1.044 224 T CA 5.012 67.149 62.100 0.062 0.000 1.139 224 T CB -0.661 68.274 68.868 0.111 0.000 0.867 224 T HN -0.493 7.721 8.240 -0.044 0.000 0.454 225 E N 1.853 122.039 120.200 -0.022 0.000 2.031 225 E HA -0.357 3.993 4.350 -0.000 0.000 0.193 225 E C 1.412 177.986 176.600 -0.043 0.000 0.994 225 E CA 3.622 60.019 56.400 -0.006 0.000 0.800 225 E CB -0.032 29.707 29.700 0.066 0.000 0.752 225 E HN -0.201 8.115 8.360 -0.066 0.004 0.447 226 Y N 0.523 120.728 120.300 -0.160 0.000 2.207 226 Y HA -0.400 4.150 4.550 -0.000 0.000 0.287 226 Y C 2.182 177.940 175.900 -0.237 0.000 1.156 226 Y CA 3.477 61.468 58.100 -0.183 0.000 1.182 226 Y CB 0.019 38.370 38.460 -0.182 0.000 0.979 226 Y HN -0.314 7.987 8.280 0.036 0.000 0.521 227 I N -1.652 118.854 120.570 -0.106 0.000 2.163 227 I HA -0.706 3.464 4.170 -0.000 0.000 0.243 227 I C 1.853 177.816 176.117 -0.258 0.000 1.085 227 I CA 3.894 65.059 61.300 -0.225 0.000 1.347 227 I CB -0.424 37.533 38.000 -0.072 0.000 1.044 227 I HN 0.393 8.489 8.210 -0.016 0.104 0.408 228 Q N -0.391 119.323 119.800 -0.143 0.000 2.002 228 Q HA -0.377 3.963 4.340 -0.000 0.000 0.204 228 Q C 1.889 177.796 176.000 -0.154 0.000 0.988 228 Q CA 3.170 58.915 55.803 -0.096 0.000 0.843 228 Q CB -0.451 28.236 28.738 -0.085 0.000 0.908 228 Q HN -0.295 7.843 8.270 -0.101 0.072 0.420 229 R N -1.927 118.426 120.500 -0.244 0.000 2.185 229 R HA -0.400 3.940 4.340 -0.000 0.000 0.247 229 R C 1.542 177.596 176.300 -0.410 0.000 1.159 229 R CA 2.604 58.519 56.100 -0.307 0.000 0.988 229 R CB -0.300 29.770 30.300 -0.384 0.000 0.871 229 R HN 0.111 8.135 8.270 -0.231 0.107 0.458 230 K N -3.920 116.155 120.400 -0.541 0.000 2.244 230 K HA 0.071 4.391 4.320 -0.000 0.000 0.200 230 K C 2.129 178.533 176.600 -0.325 0.000 1.052 230 K CA 1.571 57.468 56.287 -0.652 0.000 0.980 230 K CB 0.078 31.977 32.500 -1.002 0.000 0.838 230 K HN -0.474 7.300 8.250 -0.538 0.153 0.481 231 K N -0.531 119.746 120.400 -0.205 0.000 2.031 231 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 231 K C 1.054 177.660 176.600 0.010 0.000 1.049 231 K CA 3.289 59.558 56.287 -0.031 0.000 0.939 231 K CB 0.725 33.281 32.500 0.092 0.000 0.717 231 K HN -0.446 7.555 8.250 -0.247 0.100 0.438 232 F N -0.879 119.011 119.950 -0.101 0.000 2.451 232 F HA 0.335 4.862 4.527 -0.000 0.000 0.367 232 F C -2.305 173.437 175.800 -0.097 0.000 1.100 232 F CA -3.012 54.947 58.000 -0.069 0.000 1.171 232 F CB 0.545 39.511 39.000 -0.055 0.000 1.405 232 F HN -0.412 8.010 8.300 0.202 0.000 0.482 233 P HA 0.238 4.658 4.420 -0.000 0.000 0.271 233 P C -1.286 176.018 177.300 0.006 0.000 1.233 233 P CA -1.816 61.267 63.100 -0.028 0.000 0.764 233 P CB -0.129 31.550 31.700 -0.034 0.000 0.825 234 P HA -0.135 4.285 4.420 -0.000 0.000 0.242 234 P C -0.907 176.390 177.300 -0.005 0.000 1.198 234 P CA 1.698 64.793 63.100 -0.010 0.000 0.756 234 P CB -0.422 31.261 31.700 -0.030 0.000 0.911 235 D N -1.790 118.608 120.400 -0.003 0.000 2.363 235 D HA 0.043 4.683 4.640 -0.000 0.000 0.214 235 D C 0.073 176.381 176.300 0.012 0.000 1.093 235 D CA -0.517 53.485 54.000 0.003 0.000 0.837 235 D CB -0.382 40.420 40.800 0.004 0.000 0.948 235 D HN -0.126 8.141 8.370 -0.007 0.099 0.507 236 N N -1.192 117.518 118.700 0.017 0.000 2.708 236 N HA -0.354 4.386 4.740 -0.000 0.000 0.249 236 N C -0.959 174.563 175.510 0.020 0.000 1.097 236 N CA 0.991 54.053 53.050 0.019 0.000 0.710 236 N CB -0.348 38.148 38.487 0.016 0.000 1.032 236 N HN -0.001 8.390 8.380 0.019 0.000 0.551 237 S N -1.182 114.533 115.700 0.024 0.000 2.767 237 S HA 0.242 4.712 4.470 -0.000 0.000 0.300 237 S C -0.489 174.134 174.600 0.038 0.000 1.123 237 S CA -0.583 57.637 58.200 0.032 0.000 0.992 237 S CB 1.649 64.873 63.200 0.040 0.000 1.138 237 S HN -0.226 8.072 8.310 0.023 0.026 0.550 238 A N 0.141 122.992 122.820 0.051 0.000 2.407 238 A HA 0.421 4.741 4.320 -0.000 0.000 0.248 238 A C -2.288 175.351 177.584 0.092 0.000 1.082 238 A CA -0.927 51.146 52.037 0.059 0.000 0.785 238 A CB -1.273 17.765 19.000 0.064 0.000 1.020 238 A HN 0.356 8.538 8.150 0.054 0.000 0.489 239 P HA 0.205 4.625 4.420 -0.000 0.000 0.274 239 P C -1.701 175.759 177.300 0.268 0.000 1.246 239 P CA -0.458 62.707 63.100 0.109 0.000 0.795 239 P CB 0.500 32.218 31.700 0.030 0.000 1.006 240 Y N 0.334 120.692 120.300 0.096 0.000 2.385 240 Y HA 0.062 4.612 4.550 -0.000 0.000 0.346 240 Y C 1.075 177.109 175.900 0.222 0.000 1.270 240 Y CA -0.326 57.889 58.100 0.193 0.000 1.472 240 Y CB 0.852 39.513 38.460 0.335 0.000 1.354 240 Y HN -0.051 8.371 8.280 0.237 0.000 0.611 241 G N -1.564 107.416 108.800 0.299 0.000 2.451 241 G HA2 0.155 4.115 3.960 -0.000 0.000 0.303 241 G HA3 0.155 4.115 3.960 -0.000 0.000 0.303 241 G C -2.627 172.211 174.900 -0.102 0.000 1.166 241 G CA -1.184 43.980 45.100 0.108 0.000 0.884 241 G HN 0.451 8.770 8.290 0.227 0.107 0.514 242 A N 1.123 123.758 122.820 -0.308 0.000 2.365 242 A HA 0.954 5.274 4.320 -0.000 0.000 0.318 242 A C -1.437 175.976 177.584 -0.286 0.000 1.091 242 A CA -0.741 50.876 52.037 -0.700 0.000 0.763 242 A CB 2.298 20.867 19.000 -0.719 0.000 1.248 242 A HN 0.093 8.154 8.150 -0.148 0.000 0.442 243 R N 0.396 120.769 120.500 -0.212 0.000 2.774 243 R HA 0.347 4.687 4.340 -0.000 0.000 0.272 243 R C -2.580 173.788 176.300 0.112 0.000 1.000 243 R CA -1.782 54.296 56.100 -0.037 0.000 0.906 243 R CB 4.663 34.949 30.300 -0.023 0.000 1.227 243 R HN 0.408 8.503 8.270 -0.292 0.000 0.468 244 Y N -0.754 119.534 120.300 -0.020 0.000 2.234 244 Y HA -0.073 4.477 4.550 -0.000 0.000 0.317 244 Y C -1.337 174.590 175.900 0.044 0.000 1.220 244 Y CA 0.115 58.238 58.100 0.038 0.000 1.311 244 Y CB 0.686 39.152 38.460 0.010 0.000 1.266 244 Y HN -0.249 8.106 8.280 0.125 0.000 0.396 245 V N 5.962 125.820 119.914 -0.093 0.000 2.871 245 V HA 0.022 4.142 4.120 -0.000 0.000 0.256 245 V C 0.484 176.486 176.094 -0.153 0.000 1.082 245 V CA 1.230 63.480 62.300 -0.084 0.000 1.105 245 V CB 0.103 31.882 31.823 -0.074 0.000 0.713 245 V HN 0.479 9.096 8.190 -0.108 -0.492 0.473 246 G N -0.523 108.007 108.800 -0.451 0.000 2.137 246 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.237 246 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.237 246 G C -1.217 173.585 174.900 -0.163 0.000 1.002 246 G CA 0.098 44.999 45.100 -0.331 0.000 0.702 246 G HN -0.349 7.566 8.290 -0.825 -0.119 0.515 247 S N -0.148 115.439 115.700 -0.187 0.000 2.721 247 S HA 0.231 4.701 4.470 -0.000 0.000 0.264 247 S C 0.099 174.591 174.600 -0.180 0.000 1.161 247 S CA -2.041 56.087 58.200 -0.119 0.000 1.113 247 S CB 0.600 63.755 63.200 -0.075 0.000 1.079 247 S HN -0.964 7.319 8.310 -0.258 -0.129 0.479 248 M N 7.805 127.294 119.600 -0.185 0.000 2.146 248 M HA -0.443 4.037 4.480 -0.000 0.000 0.256 248 M C 0.447 176.494 176.300 -0.421 0.000 1.075 248 M CA 4.145 59.250 55.300 -0.325 0.000 1.082 248 M CB 0.017 32.463 32.600 -0.257 0.000 1.355 248 M HN 0.639 8.852 8.290 -0.129 0.000 0.402 249 V N -2.393 117.332 119.914 -0.315 0.000 2.295 249 V HA -0.464 3.656 4.120 -0.000 0.000 0.246 249 V C 1.558 177.466 176.094 -0.311 0.000 1.049 249 V CA 4.017 66.084 62.300 -0.389 0.000 1.024 249 V CB -1.594 30.078 31.823 -0.253 0.000 0.648 249 V HN -0.145 7.897 8.190 -0.223 0.014 0.447 250 A N -1.233 121.475 122.820 -0.186 0.000 1.930 250 A HA -0.346 3.974 4.320 -0.000 0.000 0.217 250 A C 1.899 179.421 177.584 -0.103 0.000 1.175 250 A CA 3.382 55.364 52.037 -0.093 0.000 0.627 250 A CB -0.838 18.125 19.000 -0.061 0.000 0.815 250 A HN -0.132 7.913 8.150 -0.175 0.000 0.443 251 D N -1.205 119.080 120.400 -0.192 0.000 2.149 251 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 251 D C 2.548 178.712 176.300 -0.226 0.000 0.972 251 D CA 3.813 57.722 54.000 -0.152 0.000 0.835 251 D CB 0.092 40.838 40.800 -0.090 0.000 0.966 251 D HN -0.577 7.630 8.370 -0.249 0.014 0.476 252 V N 0.753 120.415 119.914 -0.420 0.000 2.358 252 V HA -0.384 3.736 4.120 -0.000 0.000 0.246 252 V C 1.718 177.716 176.094 -0.160 0.000 1.047 252 V CA 4.771 66.861 62.300 -0.350 0.000 1.035 252 V CB -0.754 30.788 31.823 -0.469 0.000 0.658 252 V HN 0.321 8.197 8.190 -0.524 0.000 0.452 253 H N 0.213 119.150 119.070 -0.222 0.000 2.321 253 H HA -0.313 4.243 4.556 -0.000 0.000 0.300 253 H C 1.855 177.185 175.328 0.004 0.000 1.087 253 H CA 3.652 59.677 56.048 -0.039 0.000 1.319 253 H CB 0.105 29.880 29.762 0.021 0.000 1.379 253 H HN 0.110 8.301 8.280 -0.148 0.000 0.501 254 R N -1.503 118.941 120.500 -0.093 0.000 2.097 254 R HA -0.467 3.873 4.340 -0.000 0.000 0.236 254 R C 2.187 178.464 176.300 -0.039 0.000 1.135 254 R CA 4.114 60.171 56.100 -0.072 0.000 0.934 254 R CB -0.083 30.207 30.300 -0.017 0.000 0.846 254 R HN -0.016 8.247 8.270 -0.011 0.000 0.431 255 T N 2.030 116.577 114.554 -0.012 0.000 2.624 255 T HA -0.331 4.019 4.350 -0.000 0.000 0.268 255 T C 2.471 177.163 174.700 -0.015 0.000 1.041 255 T CA 4.355 66.470 62.100 0.024 0.000 1.159 255 T CB -0.602 68.291 68.868 0.042 0.000 0.863 255 T HN 0.044 8.272 8.240 -0.020 0.000 0.434 256 L N 0.203 121.392 121.223 -0.057 0.000 2.079 256 L HA -0.328 4.012 4.340 -0.000 0.000 0.210 256 L C 1.197 178.012 176.870 -0.091 0.000 1.081 256 L CA 3.292 58.098 54.840 -0.057 0.000 0.752 256 L CB 0.091 42.135 42.059 -0.025 0.000 0.896 256 L HN -0.023 8.164 8.230 -0.072 0.000 0.433 257 V N -6.196 113.626 119.914 -0.153 0.000 2.492 257 V HA -0.075 4.045 4.120 -0.000 0.000 0.241 257 V C 1.252 177.327 176.094 -0.032 0.000 1.041 257 V CA 1.822 64.052 62.300 -0.117 0.000 1.057 257 V CB -0.533 31.172 31.823 -0.197 0.000 0.711 257 V HN -0.502 7.444 8.190 -0.202 0.123 0.468 258 Y N 1.617 121.855 120.300 -0.104 0.000 2.475 258 Y HA -0.045 4.505 4.550 -0.000 0.000 0.289 258 Y C -0.152 175.712 175.900 -0.061 0.000 1.121 258 Y CA 1.151 59.208 58.100 -0.072 0.000 1.257 258 Y CB 2.121 40.543 38.460 -0.064 0.000 1.026 258 Y HN -0.012 8.323 8.280 0.092 0.000 0.555 259 G N -3.843 104.938 108.800 -0.032 0.000 2.699 259 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.686 259 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.686 259 G C -1.286 173.623 174.900 0.015 0.000 1.301 259 G CA -0.551 44.515 45.100 -0.057 0.000 0.816 259 G HN -0.599 7.585 8.290 0.020 0.118 0.595 260 G N -1.103 107.715 108.800 0.029 0.000 2.247 260 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.229 260 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.229 260 G C -2.870 172.121 174.900 0.153 0.000 1.345 260 G CA -0.252 44.897 45.100 0.082 0.000 1.100 260 G HN 0.161 8.464 8.290 0.022 0.000 0.473 261 I N -0.236 120.470 120.570 0.226 0.000 2.918 261 I HA 0.927 5.097 4.170 -0.000 0.000 0.301 261 I C -2.879 173.416 176.117 0.297 0.000 1.312 261 I CA -2.211 59.236 61.300 0.246 0.000 1.007 261 I CB 3.974 42.133 38.000 0.266 0.000 1.281 261 I HN 0.192 8.548 8.210 0.243 0.000 0.440 262 F N 6.763 126.783 119.950 0.117 0.000 2.591 262 F HA 0.663 5.190 4.527 -0.000 0.000 0.309 262 F C -2.850 173.014 175.800 0.107 0.000 1.098 262 F CA -1.312 56.765 58.000 0.128 0.000 0.937 262 F CB 4.602 43.659 39.000 0.096 0.000 1.250 262 F HN 0.195 8.666 8.300 0.284 0.000 0.447 263 M N 4.685 123.893 119.600 -0.652 0.000 2.378 263 M HA 0.446 4.926 4.480 -0.000 0.000 0.289 263 M C -2.674 173.302 176.300 -0.539 0.000 1.136 263 M CA -0.295 54.760 55.300 -0.408 0.000 0.917 263 M CB 4.739 37.164 32.600 -0.291 0.000 1.669 263 M HN 0.506 8.129 8.290 -1.111 0.000 0.461 264 Y N 2.384 122.531 120.300 -0.255 0.000 2.422 264 Y HA 0.414 4.964 4.550 -0.000 0.000 0.344 264 Y C -3.403 172.496 175.900 -0.001 0.000 1.097 264 Y CA -2.174 55.872 58.100 -0.090 0.000 1.307 264 Y CB 2.987 41.506 38.460 0.099 0.000 1.102 264 Y HN 0.964 9.165 8.280 0.038 0.102 0.520 265 P HA 0.203 4.623 4.420 -0.000 0.000 0.284 265 P C -2.166 175.196 177.300 0.105 0.000 1.258 265 P CA -1.358 61.750 63.100 0.014 0.000 0.824 265 P CB 1.551 33.195 31.700 -0.093 0.000 1.038 266 A N 0.605 123.489 122.820 0.106 0.000 2.488 266 A HA -0.036 4.284 4.320 -0.000 0.000 0.249 266 A C -1.080 176.566 177.584 0.105 0.000 1.083 266 A CA 0.405 52.507 52.037 0.109 0.000 0.768 266 A CB 0.396 19.443 19.000 0.079 0.000 1.017 266 A HN 0.283 8.481 8.150 0.081 0.000 0.496 267 N N 2.668 121.421 118.700 0.089 0.000 3.600 267 N HA 0.218 4.958 4.740 -0.000 0.000 0.348 267 N C -0.491 175.029 175.510 0.016 0.000 1.649 267 N CA -0.816 52.276 53.050 0.070 0.000 0.710 267 N CB 1.009 39.552 38.487 0.094 0.000 2.380 267 N HN 0.254 8.569 8.380 0.082 0.114 0.631 268 K N -0.762 119.621 120.400 -0.028 0.000 2.031 268 K HA -0.103 4.217 4.320 -0.000 0.000 0.205 268 K C 1.402 177.968 176.600 -0.056 0.000 1.049 268 K CA 2.191 58.453 56.287 -0.041 0.000 0.939 268 K CB 0.407 32.871 32.500 -0.059 0.000 0.717 268 K HN 0.104 8.328 8.250 -0.043 0.000 0.438 269 K N -0.763 119.569 120.400 -0.113 0.000 2.001 269 K HA -0.183 4.137 4.320 -0.000 0.000 0.214 269 K C 0.605 177.178 176.600 -0.044 0.000 1.050 269 K CA 1.929 58.146 56.287 -0.117 0.000 0.934 269 K CB 0.544 32.890 32.500 -0.257 0.000 0.718 269 K HN -0.418 7.839 8.250 -0.162 -0.105 0.443 270 S N -1.485 114.205 115.700 -0.016 0.000 2.653 270 S HA 0.487 4.957 4.470 -0.000 0.000 0.272 270 S C -1.732 172.901 174.600 0.054 0.000 1.221 270 S CA -2.879 55.347 58.200 0.042 0.000 1.149 270 S CB 0.856 64.117 63.200 0.102 0.000 1.029 270 S HN -0.282 8.366 8.310 -0.042 -0.363 0.481 271 P HA -0.111 4.309 4.420 -0.000 0.000 0.231 271 P C -0.772 176.559 177.300 0.052 0.000 1.158 271 P CA 1.373 64.499 63.100 0.043 0.000 0.763 271 P CB 0.172 31.890 31.700 0.029 0.000 0.805 272 K N -4.197 116.239 120.400 0.059 0.000 2.387 272 K HA 0.085 4.405 4.320 -0.000 0.000 0.203 272 K C 0.216 176.862 176.600 0.077 0.000 1.030 272 K CA -0.999 55.322 56.287 0.055 0.000 1.099 272 K CB -0.476 32.049 32.500 0.042 0.000 0.863 272 K HN -0.361 7.852 8.250 0.062 0.074 0.529 273 G N 0.910 109.783 108.800 0.122 0.000 2.733 273 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.686 273 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.686 273 G C -1.350 173.650 174.900 0.167 0.000 1.373 273 G CA -0.078 45.139 45.100 0.194 0.000 0.838 273 G HN -0.660 7.641 8.290 0.120 0.061 0.588 274 K N 1.007 121.529 120.400 0.204 0.000 2.128 274 K HA -0.032 4.288 4.320 -0.000 0.000 0.202 274 K C 0.427 177.003 176.600 -0.039 0.000 1.050 274 K CA 0.852 57.185 56.287 0.077 0.000 0.966 274 K CB 0.604 33.142 32.500 0.064 0.000 0.759 274 K HN 0.217 8.681 8.250 0.357 0.000 0.454 275 L N 0.047 121.204 121.223 -0.110 0.000 2.410 275 L HA 0.048 4.388 4.340 -0.000 0.000 0.273 275 L C -0.573 176.246 176.870 -0.085 0.000 1.152 275 L CA -0.171 54.602 54.840 -0.112 0.000 0.855 275 L CB -0.158 41.828 42.059 -0.121 0.000 1.129 275 L HN -0.222 7.951 8.230 -0.094 0.000 0.463 276 R N 2.268 122.694 120.500 -0.125 0.000 2.594 276 R HA 0.096 4.436 4.340 -0.000 0.000 0.272 276 R C 0.298 176.423 176.300 -0.291 0.000 1.074 276 R CA 0.084 56.042 56.100 -0.236 0.000 1.105 276 R CB -0.200 29.882 30.300 -0.363 0.000 1.008 276 R HN 0.359 8.936 8.270 -0.100 -0.367 0.472 277 L N 4.077 125.138 121.223 -0.270 0.000 1.960 277 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 277 L C 1.414 178.148 176.870 -0.228 0.000 1.090 277 L CA 3.005 57.738 54.840 -0.178 0.000 0.759 277 L CB 0.096 42.099 42.059 -0.093 0.000 0.892 277 L HN 0.687 8.657 8.230 -0.249 0.110 0.436 278 L N -3.005 118.069 121.223 -0.248 0.000 2.089 278 L HA -0.446 3.894 4.340 -0.000 0.000 0.213 278 L C 0.991 177.830 176.870 -0.052 0.000 1.079 278 L CA 2.836 57.619 54.840 -0.095 0.000 0.758 278 L CB -0.122 41.958 42.059 0.035 0.000 0.891 278 L HN 0.110 8.190 8.230 -0.251 0.000 0.433 279 Y N -10.932 109.382 120.300 0.023 0.000 2.558 279 Y HA 0.043 4.593 4.550 -0.000 0.000 0.273 279 Y C 0.325 176.216 175.900 -0.013 0.000 1.100 279 Y CA -0.880 57.225 58.100 0.009 0.000 1.276 279 Y CB 0.099 38.561 38.460 0.003 0.000 1.196 279 Y HN -0.494 7.167 8.280 -0.987 0.027 0.527 280 E N -0.243 119.922 120.200 -0.059 0.000 2.075 280 E HA -0.011 4.339 4.350 -0.000 0.000 0.193 280 E C 1.480 178.038 176.600 -0.070 0.000 0.950 280 E CA 2.018 58.395 56.400 -0.038 0.000 0.859 280 E CB 1.363 31.032 29.700 -0.052 0.000 0.846 280 E HN -0.715 7.494 8.360 -0.251 0.000 0.467 281 C N -0.337 118.915 119.300 -0.081 0.000 2.436 281 C HA -0.299 4.161 4.460 -0.000 0.000 0.277 281 C C 1.900 176.871 174.990 -0.032 0.000 1.241 281 C CA 4.538 63.529 59.018 -0.046 0.000 1.721 281 C CB -1.335 26.385 27.740 -0.033 0.000 2.043 281 C HN 0.402 8.564 8.230 -0.113 0.000 0.472 282 N N -0.097 118.582 118.700 -0.036 0.000 2.069 282 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 282 N C -1.127 174.363 175.510 -0.034 0.000 1.031 282 N CA 4.689 57.729 53.050 -0.017 0.000 0.852 282 N CB -1.684 36.794 38.487 -0.016 0.000 1.018 282 N HN -0.344 8.001 8.380 -0.058 0.000 0.423 283 P HA -0.332 4.088 4.420 -0.000 0.000 0.216 283 P C 1.435 178.735 177.300 0.001 0.000 1.167 283 P CA 3.015 66.052 63.100 -0.104 0.000 0.914 283 P CB -0.249 31.358 31.700 -0.155 0.000 0.793 284 M N -3.504 116.087 119.600 -0.015 0.000 2.065 284 M HA -0.376 4.104 4.480 -0.000 0.000 0.259 284 M C 2.210 178.531 176.300 0.034 0.000 1.069 284 M CA 1.715 57.010 55.300 -0.008 0.000 1.110 284 M CB -1.589 30.957 32.600 -0.090 0.000 1.328 284 M HN -0.863 7.399 8.290 -0.047 0.000 0.405 285 A N -0.539 122.304 122.820 0.038 0.000 1.903 285 A HA -0.373 3.947 4.320 -0.000 0.000 0.219 285 A C 1.815 179.459 177.584 0.100 0.000 1.191 285 A CA 3.233 55.305 52.037 0.059 0.000 0.638 285 A CB -1.140 17.895 19.000 0.058 0.000 0.823 285 A HN 0.403 8.563 8.150 0.018 0.000 0.451 286 Y N -1.100 119.185 120.300 -0.026 0.000 2.145 286 Y HA -0.501 4.049 4.550 -0.000 0.000 0.286 286 Y C 2.145 178.035 175.900 -0.017 0.000 1.145 286 Y CA 4.375 62.460 58.100 -0.025 0.000 1.148 286 Y CB 0.252 38.681 38.460 -0.052 0.000 0.981 286 Y HN 0.007 8.397 8.280 0.197 0.008 0.507 287 V N 0.120 120.144 119.914 0.183 0.000 2.287 287 V HA -0.569 3.551 4.120 -0.000 0.000 0.248 287 V C 2.318 178.423 176.094 0.018 0.000 1.053 287 V CA 4.804 67.161 62.300 0.095 0.000 1.027 287 V CB -0.885 31.029 31.823 0.151 0.000 0.646 287 V HN 0.197 8.519 8.190 0.220 0.000 0.447 288 M N -1.652 117.964 119.600 0.027 0.000 2.067 288 M HA -0.439 4.041 4.480 -0.000 0.000 0.260 288 M C 2.375 178.659 176.300 -0.026 0.000 1.069 288 M CA 2.587 57.891 55.300 0.006 0.000 1.117 288 M CB -1.315 31.294 32.600 0.016 0.000 1.334 288 M HN 0.322 8.636 8.290 0.051 0.006 0.407 289 E N -0.582 119.590 120.200 -0.046 0.000 2.110 289 E HA -0.345 4.005 4.350 -0.000 0.000 0.193 289 E C 3.107 179.639 176.600 -0.113 0.000 0.988 289 E CA 3.117 59.475 56.400 -0.070 0.000 0.804 289 E CB -0.204 29.454 29.700 -0.070 0.000 0.745 289 E HN 0.199 8.541 8.360 -0.030 0.000 0.458 290 K N -1.175 119.111 120.400 -0.190 0.000 2.209 290 K HA -0.210 4.110 4.320 -0.000 0.000 0.204 290 K C 1.812 178.349 176.600 -0.104 0.000 1.048 290 K CA 2.028 58.197 56.287 -0.198 0.000 0.940 290 K CB -0.494 31.839 32.500 -0.278 0.000 0.729 290 K HN -0.108 8.005 8.250 -0.229 0.000 0.451 291 A N -5.050 117.726 122.820 -0.073 0.000 2.169 291 A HA 0.068 4.388 4.320 -0.000 0.000 0.212 291 A C 0.069 177.630 177.584 -0.038 0.000 1.153 291 A CA 0.799 52.809 52.037 -0.044 0.000 0.756 291 A CB 0.189 19.175 19.000 -0.024 0.000 0.813 291 A HN -0.304 7.674 8.150 -0.075 0.127 0.471 292 G N -4.286 104.489 108.800 -0.041 0.000 2.163 292 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.213 292 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.213 292 G C -0.381 174.508 174.900 -0.019 0.000 0.991 292 G CA -0.317 44.765 45.100 -0.030 0.000 0.653 292 G HN 0.042 8.088 8.290 -0.054 0.212 0.518 293 G N -1.353 107.438 108.800 -0.016 0.000 2.543 293 G HA2 0.509 4.469 3.960 -0.000 0.000 0.290 293 G HA3 0.509 4.469 3.960 -0.000 0.000 0.290 293 G C -1.726 173.174 174.900 -0.001 0.000 1.310 293 G CA -1.609 43.490 45.100 -0.001 0.000 1.025 293 G HN -0.142 8.003 8.290 -0.023 0.132 0.502 294 L N -1.888 119.341 121.223 0.010 0.000 2.309 294 L HA 0.517 4.857 4.340 -0.000 0.000 0.261 294 L C -2.235 174.645 176.870 0.016 0.000 1.021 294 L CA -1.246 53.599 54.840 0.008 0.000 0.823 294 L CB 4.374 46.437 42.059 0.007 0.000 1.366 294 L HN 0.186 8.428 8.230 0.019 0.000 0.423 295 A N -1.948 120.878 122.820 0.011 0.000 2.485 295 A HA 0.594 4.914 4.320 -0.000 0.000 0.285 295 A C -2.238 175.346 177.584 0.000 0.000 1.045 295 A CA 0.076 52.122 52.037 0.016 0.000 0.792 295 A CB 2.421 21.438 19.000 0.029 0.000 1.307 295 A HN 0.269 8.423 8.150 0.006 0.000 0.406 296 T N 3.955 118.498 114.554 -0.020 0.000 2.864 296 T HA 0.709 5.059 4.350 -0.000 0.000 0.289 296 T C -0.511 174.143 174.700 -0.076 0.000 1.082 296 T CA -1.837 60.231 62.100 -0.053 0.000 1.009 296 T CB 3.174 71.994 68.868 -0.081 0.000 1.234 296 T HN 0.348 8.580 8.240 -0.014 0.000 0.526 297 T N -0.889 113.596 114.554 -0.114 0.000 3.040 297 T HA 0.480 4.830 4.350 -0.000 0.000 0.250 297 T C 1.191 175.703 174.700 -0.313 0.000 1.058 297 T CA -1.270 60.746 62.100 -0.140 0.000 0.988 297 T CB 1.021 69.836 68.868 -0.088 0.000 0.993 297 T HN 0.698 8.873 8.240 -0.108 0.000 0.519 298 G N 1.569 110.121 108.800 -0.415 0.000 2.258 298 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.233 298 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.233 298 G C -0.201 174.389 174.900 -0.517 0.000 1.006 298 G CA 1.026 45.626 45.100 -0.834 0.000 0.620 298 G HN -0.061 7.996 8.290 -0.274 0.069 0.511 299 K N -0.818 119.412 120.400 -0.282 0.000 2.425 299 K HA 0.109 4.429 4.320 -0.000 0.000 0.201 299 K C -0.883 175.668 176.600 -0.082 0.000 1.128 299 K CA 0.329 56.537 56.287 -0.133 0.000 1.000 299 K CB 1.850 34.300 32.500 -0.083 0.000 0.961 299 K HN -0.427 7.571 8.250 -0.260 0.096 0.555 300 E N -3.364 116.783 120.200 -0.088 0.000 2.422 300 E HA 0.185 4.535 4.350 -0.000 0.000 0.280 300 E C -2.795 173.779 176.600 -0.044 0.000 1.091 300 E CA -1.547 54.824 56.400 -0.049 0.000 0.849 300 E CB 3.204 32.887 29.700 -0.030 0.000 1.353 300 E HN -0.534 7.753 8.360 -0.121 0.000 0.449 301 A N -1.429 121.379 122.820 -0.020 0.000 2.388 301 A HA 0.236 4.556 4.320 -0.000 0.000 0.257 301 A C 1.359 178.943 177.584 0.001 0.000 1.095 301 A CA -0.400 51.632 52.037 -0.009 0.000 0.791 301 A CB 0.703 19.706 19.000 0.006 0.000 1.029 301 A HN 0.407 8.549 8.150 -0.013 0.000 0.489 302 V N 3.058 122.977 119.914 0.007 0.000 2.295 302 V HA -0.390 3.730 4.120 -0.000 0.000 0.246 302 V C 1.925 178.040 176.094 0.035 0.000 1.049 302 V CA 3.969 66.278 62.300 0.016 0.000 1.024 302 V CB -0.581 31.255 31.823 0.021 0.000 0.648 302 V HN 0.021 8.214 8.190 0.004 0.000 0.447 303 L N -3.381 117.874 121.223 0.052 0.000 2.201 303 L HA -0.303 4.037 4.340 -0.000 0.000 0.212 303 L C 1.667 178.581 176.870 0.073 0.000 1.105 303 L CA 2.660 57.549 54.840 0.082 0.000 0.775 303 L CB -0.817 41.309 42.059 0.111 0.000 0.913 303 L HN -0.063 8.196 8.230 0.047 0.000 0.440 304 D N -2.373 118.056 120.400 0.048 0.000 2.363 304 D HA -0.087 4.553 4.640 -0.000 0.000 0.220 304 D C 0.115 176.433 176.300 0.030 0.000 0.994 304 D CA 1.491 55.514 54.000 0.039 0.000 0.890 304 D CB 0.089 40.904 40.800 0.025 0.000 0.906 304 D HN -0.662 7.587 8.370 0.038 0.144 0.530 305 I N 0.929 121.516 120.570 0.028 0.000 2.471 305 I HA -0.221 3.949 4.170 -0.000 0.000 0.286 305 I C -0.967 175.163 176.117 0.021 0.000 1.079 305 I CA 0.616 61.927 61.300 0.019 0.000 1.398 305 I CB 0.708 38.716 38.000 0.014 0.000 1.403 305 I HN -0.783 7.272 8.210 0.034 0.176 0.530 306 V N 7.411 127.331 119.914 0.010 0.000 2.427 306 V HA 0.044 4.164 4.120 -0.000 0.000 0.268 306 V C -1.253 174.840 176.094 -0.002 0.000 1.046 306 V CA -3.311 58.989 62.300 0.001 0.000 0.970 306 V CB -1.256 30.564 31.823 -0.005 0.000 1.001 306 V HN 0.155 8.349 8.190 0.007 0.000 0.476 307 P HA 0.126 4.546 4.420 -0.000 0.000 0.274 307 P C -1.306 175.988 177.300 -0.010 0.000 1.231 307 P CA -0.531 62.568 63.100 -0.002 0.000 0.790 307 P CB 0.987 32.692 31.700 0.008 0.000 0.951 308 T N -3.411 111.139 114.554 -0.006 0.000 3.138 308 T HA 0.030 4.380 4.350 -0.000 0.000 0.245 308 T C 0.170 174.864 174.700 -0.009 0.000 0.982 308 T CA -0.101 61.994 62.100 -0.009 0.000 1.134 308 T CB 1.172 70.038 68.868 -0.004 0.000 1.032 308 T HN 0.297 8.884 8.240 -0.001 -0.347 0.442 309 D N 2.059 122.458 120.400 -0.002 0.000 2.193 309 D HA 0.264 4.904 4.640 -0.000 0.000 0.249 309 D C 1.463 177.769 176.300 0.010 0.000 1.034 309 D CA -1.463 52.535 54.000 -0.003 0.000 0.902 309 D CB 2.436 43.246 40.800 0.017 0.000 1.182 309 D HN -0.153 8.563 8.370 0.003 -0.344 0.436 310 I N -1.384 119.180 120.570 -0.010 0.000 2.928 310 I HA -0.123 4.047 4.170 -0.000 0.000 0.266 310 I C -0.639 175.606 176.117 0.214 0.000 1.234 310 I CA 1.628 62.959 61.300 0.051 0.000 1.483 310 I CB 0.234 38.230 38.000 -0.007 0.000 1.097 310 I HN 0.161 8.335 8.210 -0.060 0.000 0.455 311 H N -2.364 116.747 119.070 0.069 0.000 2.469 311 H HA 0.312 4.868 4.556 -0.000 0.000 0.286 311 H C -0.501 174.822 175.328 -0.010 0.000 1.106 311 H CA -2.001 54.097 56.048 0.084 0.000 1.055 311 H CB -1.500 28.338 29.762 0.126 0.000 1.618 311 H HN -0.451 8.167 8.280 0.102 -0.276 0.559 312 Q N -0.273 119.559 119.800 0.054 0.000 2.306 312 Q HA 0.134 4.474 4.340 -0.000 0.000 0.241 312 Q C -0.760 175.215 176.000 -0.041 0.000 0.948 312 Q CA -0.727 55.084 55.803 0.013 0.000 0.886 312 Q CB 1.531 30.274 28.738 0.009 0.000 1.227 312 Q HN -0.699 7.529 8.270 0.037 0.064 0.457 313 R N 0.117 120.605 120.500 -0.020 0.000 2.700 313 R HA 0.810 5.150 4.340 -0.000 0.000 0.253 313 R C -1.211 175.083 176.300 -0.010 0.000 1.091 313 R CA -1.198 54.886 56.100 -0.027 0.000 1.104 313 R CB 2.088 32.390 30.300 0.004 0.000 1.202 313 R HN 0.270 8.542 8.270 0.002 0.000 0.532 314 A N -1.271 121.549 122.820 0.001 0.000 2.589 314 A HA 0.426 4.746 4.320 -0.000 0.000 0.296 314 A C -3.604 174.010 177.584 0.049 0.000 1.062 314 A CA -2.086 49.960 52.037 0.015 0.000 0.686 314 A CB 2.036 21.035 19.000 -0.001 0.000 1.282 314 A HN 0.383 8.532 8.150 -0.001 0.000 0.404 315 P HA 0.169 4.589 4.420 -0.000 0.000 0.271 315 P C -1.764 175.572 177.300 0.060 0.000 1.220 315 P CA 0.043 63.185 63.100 0.070 0.000 0.768 315 P CB 0.333 32.046 31.700 0.022 0.000 0.848 316 I N 5.398 126.038 120.570 0.117 0.000 2.468 316 I HA 0.358 4.528 4.170 -0.000 0.000 0.285 316 I C -2.246 173.950 176.117 0.132 0.000 1.039 316 I CA -1.165 60.209 61.300 0.123 0.000 1.074 316 I CB 3.718 41.823 38.000 0.175 0.000 1.228 316 I HN 0.787 9.001 8.210 0.179 0.103 0.436 317 I N 9.786 130.394 120.570 0.063 0.000 2.410 317 I HA 0.703 4.873 4.170 -0.000 0.000 0.286 317 I C -2.073 174.091 176.117 0.079 0.000 1.009 317 I CA -1.017 60.311 61.300 0.046 0.000 1.111 317 I CB 1.542 39.511 38.000 -0.052 0.000 1.262 317 I HN 0.796 9.021 8.210 0.026 0.000 0.443 318 L N 2.793 124.108 121.223 0.153 0.000 2.434 318 L HA 0.977 5.317 4.340 -0.000 0.000 0.260 318 L C -1.573 175.373 176.870 0.127 0.000 0.983 318 L CA -1.766 53.143 54.840 0.114 0.000 0.820 318 L CB 2.546 44.666 42.059 0.100 0.000 1.361 318 L HN 0.753 9.124 8.230 0.236 0.000 0.410 319 G N -1.453 107.396 108.800 0.082 0.000 2.345 319 G HA2 0.028 3.988 3.960 -0.000 0.000 0.285 319 G HA3 0.028 3.988 3.960 -0.000 0.000 0.285 319 G C -2.012 172.923 174.900 0.058 0.000 1.297 319 G CA 0.582 45.733 45.100 0.084 0.000 0.875 319 G HN 0.244 8.569 8.290 0.058 0.000 0.506 320 S N 2.803 118.538 115.700 0.058 0.000 2.629 320 S HA -0.046 4.424 4.470 -0.000 0.000 0.302 320 S C -0.400 174.229 174.600 0.048 0.000 1.244 320 S CA -0.671 57.552 58.200 0.038 0.000 1.098 320 S CB -0.231 62.986 63.200 0.028 0.000 0.858 320 S HN -0.049 8.303 8.310 0.071 0.000 0.502 321 P HA -0.319 4.101 4.420 -0.000 0.000 0.216 321 P C 1.456 178.788 177.300 0.052 0.000 1.167 321 P CA 2.744 65.865 63.100 0.034 0.000 0.914 321 P CB 0.161 31.873 31.700 0.020 0.000 0.793 322 E N -1.684 118.552 120.200 0.060 0.000 2.130 322 E HA -0.429 3.921 4.350 -0.000 0.000 0.196 322 E C 2.571 179.247 176.600 0.128 0.000 0.998 322 E CA 3.189 59.637 56.400 0.081 0.000 0.806 322 E CB -0.501 29.243 29.700 0.073 0.000 0.738 322 E HN -0.311 8.078 8.360 0.049 0.000 0.459 323 D N -0.549 119.948 120.400 0.161 0.000 2.084 323 D HA -0.228 4.412 4.640 -0.000 0.000 0.194 323 D C 2.365 178.759 176.300 0.157 0.000 0.990 323 D CA 3.601 57.755 54.000 0.257 0.000 0.826 323 D CB -0.344 40.640 40.800 0.307 0.000 0.971 323 D HN -0.387 8.041 8.370 0.132 0.022 0.453 324 V N -0.426 119.532 119.914 0.072 0.000 2.490 324 V HA -0.338 3.782 4.120 -0.000 0.000 0.250 324 V C 2.308 178.400 176.094 -0.004 0.000 1.061 324 V CA 3.757 66.051 62.300 -0.010 0.000 1.064 324 V CB -0.986 30.840 31.823 0.005 0.000 0.670 324 V HN -0.227 8.015 8.190 0.086 0.000 0.461 325 T N 0.997 115.576 114.554 0.042 0.000 2.821 325 T HA -0.335 4.015 4.350 -0.000 0.000 0.267 325 T C 1.553 176.301 174.700 0.079 0.000 1.046 325 T CA 4.429 66.559 62.100 0.050 0.000 1.139 325 T CB -0.775 68.126 68.868 0.053 0.000 0.871 325 T HN 0.198 8.465 8.240 0.056 0.007 0.454 326 E N 2.863 123.142 120.200 0.131 0.000 2.038 326 E HA -0.389 3.961 4.350 -0.000 0.000 0.195 326 E C 1.811 178.531 176.600 0.200 0.000 1.000 326 E CA 3.080 59.612 56.400 0.220 0.000 0.803 326 E CB -0.013 29.919 29.700 0.387 0.000 0.750 326 E HN -0.308 8.043 8.360 0.139 0.092 0.448 327 L N -0.192 121.025 121.223 -0.011 0.000 2.046 327 L HA -0.284 4.056 4.340 -0.000 0.000 0.208 327 L C 1.890 178.811 176.870 0.085 0.000 1.077 327 L CA 2.981 57.715 54.840 -0.177 0.000 0.747 327 L CB -0.180 41.564 42.059 -0.525 0.000 0.896 327 L HN -0.302 7.816 8.230 -0.078 0.065 0.432 328 L N -2.830 118.442 121.223 0.081 0.000 2.187 328 L HA -0.543 3.797 4.340 -0.000 0.000 0.213 328 L C 2.158 179.108 176.870 0.132 0.000 1.100 328 L CA 3.312 58.223 54.840 0.118 0.000 0.765 328 L CB -0.692 41.388 42.059 0.035 0.000 0.904 328 L HN 0.196 8.376 8.230 0.022 0.063 0.437 329 E N -0.030 120.233 120.200 0.104 0.000 2.015 329 E HA -0.360 3.990 4.350 -0.000 0.000 0.191 329 E C 2.659 179.321 176.600 0.103 0.000 0.991 329 E CA 3.093 59.550 56.400 0.094 0.000 0.802 329 E CB -0.130 29.622 29.700 0.086 0.000 0.759 329 E HN -0.199 8.198 8.360 0.096 0.021 0.447 330 I N -0.515 120.110 120.570 0.093 0.000 2.399 330 I HA -0.530 3.640 4.170 -0.000 0.000 0.254 330 I C 2.150 178.201 176.117 -0.110 0.000 1.146 330 I CA 3.620 64.941 61.300 0.036 0.000 1.412 330 I CB -0.356 37.654 38.000 0.016 0.000 1.076 330 I HN -0.390 7.885 8.210 0.109 0.000 0.432 331 Y N -2.014 118.257 120.300 -0.047 0.000 2.092 331 Y HA -0.413 4.137 4.550 -0.000 0.000 0.282 331 Y C 2.342 178.246 175.900 0.006 0.000 1.126 331 Y CA 4.002 62.064 58.100 -0.063 0.000 1.111 331 Y CB 0.361 38.784 38.460 -0.061 0.000 0.987 331 Y HN -0.083 8.150 8.280 0.158 0.142 0.489 332 Q N -3.580 116.324 119.800 0.174 0.000 2.365 332 Q HA -0.061 4.279 4.340 -0.000 0.000 0.203 332 Q C 1.932 177.994 176.000 0.103 0.000 0.929 332 Q CA 1.024 56.902 55.803 0.125 0.000 0.948 332 Q CB -0.377 28.420 28.738 0.098 0.000 1.043 332 Q HN -0.304 8.076 8.270 0.183 0.000 0.505 333 K N 0.955 121.427 120.400 0.120 0.000 2.426 333 K HA -0.083 4.237 4.320 -0.000 0.000 0.193 333 K C -0.074 176.614 176.600 0.146 0.000 1.028 333 K CA 0.726 57.080 56.287 0.112 0.000 1.047 333 K CB 0.217 32.789 32.500 0.120 0.000 0.821 333 K HN 0.146 8.309 8.250 0.124 0.161 0.513 334 H N -1.893 117.164 119.070 -0.021 0.000 2.467 334 H HA 0.144 4.700 4.556 -0.000 0.000 0.275 334 H C -1.759 173.564 175.328 -0.008 0.000 1.131 334 H CA -0.458 55.570 56.048 -0.033 0.000 0.989 334 H CB 0.587 30.301 29.762 -0.080 0.000 1.696 334 H HN -0.359 7.871 8.280 0.202 0.172 0.574 335 A N 0.000 122.885 122.820 0.108 0.000 2.254 335 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 335 A CA 0.000 52.084 52.037 0.078 0.000 0.836 335 A CB 0.000 19.052 19.000 0.088 0.000 0.831 335 A HN 0.000 8.138 8.150 0.095 0.069 0.486