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 3f92_1_A DATA FIRST_RESID -1 DATA SEQUENCE FDMANIAVQR IKREFKEVLK SEETSKNQIK VDLVDENFTE LRGEIAGPPD DATA SEQUENCE TPYEGGRYQL EIKIPETYPF NPPKVRFITK IWHPNISSVT GAICLDILKD DATA SEQUENCE QWAAAMTLRT VLLSLQALLA AAEPDDPQDA VVANQYKQNP EMFKQTARLW DATA SEQUENCE AHVYAGAPVS SPEYTKKIEN LCAAGFDRNA VIVALSSKSW DVETATELLL DATA SEQUENCE SN 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 F HA 0.000 4.527 4.527 0.000 0.000 0.279 -1 F C 0.000 175.802 175.800 0.003 0.000 0.967 -1 F CA 0.000 57.996 58.000 -0.007 0.000 1.383 -1 F CB 0.000 39.000 39.000 0.000 0.000 1.145 0 D N 1.353 121.764 120.400 0.017 0.000 2.269 0 D HA 0.668 5.307 4.640 -0.002 0.000 0.244 0 D C -0.419 175.906 176.300 0.042 0.000 0.992 0 D CA -0.049 53.974 54.000 0.038 0.000 0.894 0 D CB 2.222 43.047 40.800 0.042 0.000 1.248 0 D HN 0.638 9.008 8.370 0.000 0.000 0.468 1 M N 0.742 120.378 119.600 0.061 0.000 2.267 1 M HA 0.382 4.861 4.480 -0.002 0.000 0.303 1 M C 0.470 176.800 176.300 0.051 0.000 1.164 1 M CA -0.605 54.728 55.300 0.055 0.000 1.060 1 M CB 1.115 33.754 32.600 0.066 0.000 1.455 1 M HN 0.376 8.666 8.290 0.000 0.000 0.483 2 A N 1.221 124.071 122.820 0.051 0.000 2.520 2 A HA -0.035 4.284 4.320 -0.002 0.000 0.235 2 A C 0.768 178.376 177.584 0.040 0.000 1.065 2 A CA 0.119 52.186 52.037 0.049 0.000 0.764 2 A CB -0.250 18.788 19.000 0.063 0.000 1.002 2 A HN 0.993 9.143 8.150 0.000 0.000 0.502 3 N N 1.006 119.726 118.700 0.033 0.000 2.094 3 N HA -0.189 4.550 4.740 -0.002 0.000 0.191 3 N C 1.450 176.966 175.510 0.009 0.000 1.023 3 N CA 2.101 55.162 53.050 0.018 0.000 0.857 3 N CB -0.268 38.231 38.487 0.019 0.000 1.013 3 N HN 0.720 9.100 8.380 0.000 0.000 0.426 4 I N -0.373 120.211 120.570 0.025 0.000 2.315 4 I HA -0.204 3.965 4.170 -0.002 0.000 0.248 4 I C 1.920 178.032 176.117 -0.009 0.000 1.117 4 I CA 1.162 62.466 61.300 0.008 0.000 1.404 4 I CB -0.205 37.818 38.000 0.038 0.000 1.071 4 I HN 0.257 8.467 8.210 0.000 0.000 0.419 5 A N 0.069 122.906 122.820 0.028 0.000 1.873 5 A HA -0.148 4.170 4.320 -0.002 0.000 0.215 5 A C 2.272 179.870 177.584 0.024 0.000 1.186 5 A CA 1.886 53.975 52.037 0.088 0.000 0.616 5 A CB -1.069 17.993 19.000 0.103 0.000 0.823 5 A HN 0.321 8.471 8.150 0.000 0.000 0.442 6 V N 0.180 120.071 119.914 -0.039 0.000 2.287 6 V HA -0.281 3.838 4.120 -0.002 0.000 0.248 6 V C 2.729 178.662 176.094 -0.269 0.000 1.053 6 V CA 2.119 64.312 62.300 -0.178 0.000 1.027 6 V CB -0.817 30.953 31.823 -0.089 0.000 0.646 6 V HN 0.538 8.728 8.190 0.000 0.000 0.447 7 Q N -0.490 119.228 119.800 -0.137 0.000 2.123 7 Q HA -0.076 4.263 4.340 -0.002 0.000 0.199 7 Q C 2.435 178.383 176.000 -0.087 0.000 0.966 7 Q CA 1.077 56.811 55.803 -0.115 0.000 0.845 7 Q CB -0.410 28.293 28.738 -0.057 0.000 0.907 7 Q HN 0.516 8.786 8.270 0.000 0.000 0.439 8 R N 0.357 120.834 120.500 -0.038 0.000 2.066 8 R HA -0.018 4.321 4.340 -0.002 0.000 0.232 8 R C 2.249 178.587 176.300 0.063 0.000 1.131 8 R CA 0.731 56.848 56.100 0.028 0.000 0.955 8 R CB -0.473 29.862 30.300 0.059 0.000 0.851 8 R HN 0.262 8.532 8.270 0.000 0.000 0.432 9 I N 1.212 121.782 120.570 -0.000 0.000 2.226 9 I HA -0.239 3.930 4.170 -0.002 0.000 0.245 9 I C 2.137 178.167 176.117 -0.146 0.000 1.100 9 I CA 1.290 62.542 61.300 -0.081 0.000 1.374 9 I CB -0.692 37.184 38.000 -0.206 0.000 1.057 9 I HN 0.148 8.358 8.210 0.000 0.000 0.413 10 K N 0.290 120.474 120.400 -0.361 0.000 2.063 10 K HA -0.210 4.109 4.320 -0.002 0.000 0.208 10 K C 2.254 178.856 176.600 0.003 0.000 1.048 10 K CA 1.372 57.507 56.287 -0.253 0.000 0.928 10 K CB -0.175 32.143 32.500 -0.303 0.000 0.713 10 K HN 0.180 8.430 8.250 0.000 0.000 0.442 11 R N 1.423 121.914 120.500 -0.014 0.000 2.092 11 R HA -0.143 4.196 4.340 -0.002 0.000 0.231 11 R C 1.580 177.921 176.300 0.068 0.000 1.119 11 R CA 1.655 57.773 56.100 0.029 0.000 0.970 11 R CB 0.085 30.388 30.300 0.006 0.000 0.864 11 R HN 0.231 8.501 8.270 0.000 0.000 0.440 12 E N -0.512 119.745 120.200 0.094 0.000 2.152 12 E HA -0.164 4.185 4.350 -0.002 0.000 0.192 12 E C 1.601 178.279 176.600 0.130 0.000 0.983 12 E CA 0.938 57.404 56.400 0.111 0.000 0.818 12 E CB -0.145 29.643 29.700 0.148 0.000 0.758 12 E HN 0.324 8.684 8.360 0.000 0.000 0.467 13 F N 2.354 122.312 119.950 0.014 0.000 2.113 13 F HA -0.143 4.382 4.527 -0.002 0.000 0.297 13 F C 1.920 177.736 175.800 0.027 0.000 1.103 13 F CA 1.461 59.479 58.000 0.029 0.000 1.248 13 F CB 0.133 39.166 39.000 0.054 0.000 0.999 13 F HN -0.231 8.069 8.300 0.000 0.000 0.475 14 K N 0.142 120.619 120.400 0.127 0.000 2.063 14 K HA -0.261 4.058 4.320 -0.002 0.000 0.208 14 K C 2.145 178.720 176.600 -0.042 0.000 1.048 14 K CA 1.820 58.118 56.287 0.018 0.000 0.928 14 K CB -0.450 32.100 32.500 0.083 0.000 0.713 14 K HN 0.456 8.706 8.250 0.000 0.000 0.442 15 E N 0.962 121.155 120.200 -0.011 0.000 2.077 15 E HA -0.184 4.165 4.350 -0.002 0.000 0.193 15 E C 1.959 178.528 176.600 -0.050 0.000 0.989 15 E CA 1.188 57.577 56.400 -0.019 0.000 0.800 15 E CB 0.141 29.844 29.700 0.006 0.000 0.746 15 E HN 0.038 8.398 8.360 0.000 0.000 0.452 16 V N 1.530 121.396 119.914 -0.080 0.000 2.295 16 V HA -0.277 3.841 4.120 -0.002 0.000 0.246 16 V C 2.556 178.561 176.094 -0.149 0.000 1.049 16 V CA 1.562 63.799 62.300 -0.105 0.000 1.024 16 V CB -0.508 31.242 31.823 -0.122 0.000 0.648 16 V HN 0.348 8.538 8.190 0.000 0.000 0.447 17 L N -0.273 120.806 121.223 -0.241 0.000 2.021 17 L HA -0.270 4.069 4.340 -0.002 0.000 0.215 17 L C 2.393 179.199 176.870 -0.106 0.000 1.074 17 L CA 1.923 56.638 54.840 -0.209 0.000 0.760 17 L CB -0.604 41.307 42.059 -0.247 0.000 0.889 17 L HN 0.325 8.555 8.230 0.000 0.000 0.433 18 K N -0.248 120.106 120.400 -0.077 0.000 2.487 18 K HA 0.039 4.358 4.320 -0.002 0.000 0.192 18 K C 0.891 177.472 176.600 -0.033 0.000 1.027 18 K CA 0.075 56.336 56.287 -0.043 0.000 1.054 18 K CB 0.079 32.562 32.500 -0.028 0.000 0.824 18 K HN 0.349 8.599 8.250 0.000 0.000 0.510 19 S N 0.707 116.383 115.700 -0.039 0.000 2.592 19 S HA 0.093 4.562 4.470 -0.002 0.000 0.271 19 S C 0.987 175.576 174.600 -0.017 0.000 1.326 19 S CA -0.695 57.490 58.200 -0.024 0.000 1.024 19 S CB 1.405 64.591 63.200 -0.024 0.000 0.921 19 S HN 0.116 8.426 8.310 0.000 0.000 0.527 20 E N 1.549 121.743 120.200 -0.009 0.000 2.051 20 E HA -0.205 4.144 4.350 -0.002 0.000 0.192 20 E C 1.757 178.357 176.600 -0.000 0.000 0.991 20 E CA 1.638 58.036 56.400 -0.003 0.000 0.799 20 E CB -0.278 29.423 29.700 0.001 0.000 0.748 20 E HN 0.799 9.159 8.360 0.000 0.000 0.449 21 E N 0.294 120.494 120.200 0.001 0.000 2.114 21 E HA -0.179 4.170 4.350 -0.002 0.000 0.199 21 E C 2.110 178.712 176.600 0.002 0.000 1.008 21 E CA 1.839 58.243 56.400 0.006 0.000 0.810 21 E CB -0.328 29.377 29.700 0.008 0.000 0.739 21 E HN 0.126 8.486 8.360 0.000 0.000 0.456 22 T N -0.288 114.259 114.554 -0.011 0.000 2.857 22 T HA -0.140 4.208 4.350 -0.002 0.000 0.266 22 T C 2.002 176.695 174.700 -0.012 0.000 1.048 22 T CA 1.383 63.472 62.100 -0.019 0.000 1.139 22 T CB -0.319 68.523 68.868 -0.044 0.000 0.874 22 T HN 0.331 8.571 8.240 0.000 0.000 0.455 23 S N 1.298 116.992 115.700 -0.011 0.000 2.453 23 S HA 0.019 4.487 4.470 -0.002 0.000 0.231 23 S C 1.651 176.252 174.600 0.003 0.000 1.005 23 S CA 0.642 58.839 58.200 -0.005 0.000 0.949 23 S CB -0.305 62.891 63.200 -0.006 0.000 0.774 23 S HN 0.413 8.723 8.310 0.000 0.000 0.510 24 K N 0.950 121.355 120.400 0.008 0.000 2.505 24 K HA 0.205 4.524 4.320 -0.002 0.000 0.192 24 K C -0.047 176.566 176.600 0.021 0.000 1.025 24 K CA 0.189 56.486 56.287 0.015 0.000 1.086 24 K CB -0.365 32.146 32.500 0.019 0.000 0.840 24 K HN 0.430 8.680 8.250 0.000 0.000 0.514 25 N N 1.068 119.777 118.700 0.016 0.000 2.714 25 N HA -0.234 4.505 4.740 -0.002 0.000 0.250 25 N C 0.412 175.942 175.510 0.034 0.000 1.117 25 N CA 0.728 53.791 53.050 0.022 0.000 0.719 25 N CB -0.642 37.860 38.487 0.025 0.000 1.081 25 N HN 0.366 8.746 8.380 0.000 0.000 0.557 26 Q N -0.505 119.315 119.800 0.034 0.000 2.212 26 Q HA 0.186 4.524 4.340 -0.002 0.000 0.199 26 Q C 0.929 176.956 176.000 0.046 0.000 0.950 26 Q CA 1.111 56.943 55.803 0.048 0.000 0.863 26 Q CB 0.470 29.235 28.738 0.045 0.000 0.944 26 Q HN 0.731 9.001 8.270 0.000 0.000 0.465 27 I N -2.184 118.401 120.570 0.026 0.000 2.913 27 I HA 0.591 4.760 4.170 -0.002 0.000 0.302 27 I C -1.693 174.422 176.117 -0.003 0.000 1.246 27 I CA -1.286 60.024 61.300 0.016 0.000 1.010 27 I CB 2.443 40.450 38.000 0.010 0.000 1.259 27 I HN -0.113 8.097 8.210 0.000 0.000 0.434 28 K N 3.234 123.629 120.400 -0.008 0.000 2.607 28 K HA 0.780 5.099 4.320 -0.002 0.000 0.287 28 K C -1.748 174.841 176.600 -0.019 0.000 0.996 28 K CA -0.893 55.377 56.287 -0.028 0.000 0.876 28 K CB 2.321 34.807 32.500 -0.024 0.000 1.496 28 K HN 0.708 8.958 8.250 0.000 0.000 0.415 29 V N -1.600 118.294 119.914 -0.034 0.000 2.789 29 V HA 0.681 4.800 4.120 -0.002 0.000 0.311 29 V C -1.525 174.628 176.094 0.097 0.000 1.073 29 V CA -0.533 61.786 62.300 0.032 0.000 0.921 29 V CB 1.719 33.580 31.823 0.062 0.000 1.009 29 V HN 0.923 9.113 8.190 0.000 0.000 0.426 30 D N 2.690 123.192 120.400 0.169 0.000 2.649 30 D HA 0.452 5.091 4.640 -0.002 0.000 0.249 30 D C -0.786 175.635 176.300 0.202 0.000 1.112 30 D CA -0.526 53.589 54.000 0.192 0.000 0.850 30 D CB 2.093 42.943 40.800 0.085 0.000 1.399 30 D HN 0.764 9.134 8.370 0.000 0.000 0.503 31 L N 4.254 125.589 121.223 0.186 0.000 2.361 31 L HA 0.148 4.487 4.340 -0.002 0.000 0.278 31 L C 1.119 177.962 176.870 -0.045 0.000 1.113 31 L CA -0.370 54.454 54.840 -0.027 0.000 0.849 31 L CB 1.518 43.454 42.059 -0.206 0.000 1.155 31 L HN 0.426 8.656 8.230 0.000 0.000 0.452 32 V N 1.952 121.827 119.914 -0.065 0.000 2.825 32 V HA 0.039 4.157 4.120 -0.002 0.000 0.246 32 V C 0.574 176.605 176.094 -0.105 0.000 1.068 32 V CA 0.989 63.252 62.300 -0.063 0.000 1.088 32 V CB 0.035 31.830 31.823 -0.047 0.000 0.733 32 V HN 0.731 8.921 8.190 0.000 0.000 0.468 33 D N -0.461 119.843 120.400 -0.160 0.000 2.593 33 D HA 0.364 5.002 4.640 -0.002 0.000 0.251 33 D C 1.015 177.109 176.300 -0.343 0.000 1.140 33 D CA 0.654 54.536 54.000 -0.196 0.000 0.855 33 D CB 2.427 43.132 40.800 -0.158 0.000 1.267 33 D HN 0.174 8.544 8.370 0.000 0.000 0.532 34 E N 1.686 121.693 120.200 -0.321 0.000 2.187 34 E HA -0.271 4.078 4.350 -0.002 0.000 0.199 34 E C 1.471 177.671 176.600 -0.668 0.000 1.004 34 E CA 1.778 57.914 56.400 -0.440 0.000 0.813 34 E CB -0.909 28.635 29.700 -0.261 0.000 0.736 34 E HN 0.481 8.841 8.360 0.000 0.000 0.468 35 N N -1.737 116.702 118.700 -0.434 0.000 2.453 35 N HA 0.001 4.740 4.740 -0.002 0.000 0.183 35 N C 0.374 175.775 175.510 -0.182 0.000 1.041 35 N CA 1.006 53.892 53.050 -0.273 0.000 0.900 35 N CB -0.736 37.676 38.487 -0.125 0.000 0.961 35 N HN 0.741 9.121 8.380 0.000 0.000 0.443 36 F N -2.214 117.658 119.950 -0.130 0.000 2.794 36 F HA -0.259 4.268 4.527 -0.001 0.000 0.335 36 F C 1.736 177.450 175.800 -0.144 0.000 0.653 36 F CA 1.157 59.063 58.000 -0.156 0.000 1.266 36 F CB -2.742 36.169 39.000 -0.148 0.000 1.666 36 F HN 0.392 8.692 8.300 0.000 0.000 0.314 37 T N -3.049 111.499 114.554 -0.010 0.000 3.067 37 T HA 0.205 4.554 4.350 -0.002 0.000 0.257 37 T C 0.443 175.102 174.700 -0.067 0.000 1.105 37 T CA 1.093 63.169 62.100 -0.040 0.000 1.104 37 T CB 0.466 69.311 68.868 -0.038 0.000 0.925 37 T HN 0.380 8.620 8.240 0.000 0.000 0.498 38 E N 0.274 120.432 120.200 -0.071 0.000 2.263 38 E HA 0.638 4.986 4.350 -0.002 0.000 0.268 38 E C -1.513 175.052 176.600 -0.059 0.000 0.884 38 E CA -0.812 55.548 56.400 -0.067 0.000 0.766 38 E CB 1.339 31.002 29.700 -0.063 0.000 1.196 38 E HN 0.375 8.735 8.360 0.000 0.000 0.416 39 L N 3.079 124.277 121.223 -0.042 0.000 2.350 39 L HA 0.664 5.003 4.340 -0.002 0.000 0.260 39 L C -0.286 176.579 176.870 -0.009 0.000 1.015 39 L CA -1.142 53.693 54.840 -0.008 0.000 0.821 39 L CB 2.237 44.312 42.059 0.026 0.000 1.370 39 L HN 0.446 8.676 8.230 0.000 0.000 0.416 40 R N 0.215 120.723 120.500 0.013 0.000 2.437 40 R HA 0.652 4.991 4.340 -0.002 0.000 0.310 40 R C -0.438 175.867 176.300 0.010 0.000 0.955 40 R CA -0.372 55.729 56.100 0.002 0.000 0.851 40 R CB 1.756 32.059 30.300 0.005 0.000 1.161 40 R HN 0.847 9.117 8.270 0.000 0.000 0.446 41 G N 1.800 110.588 108.800 -0.021 0.000 2.461 41 G HA2 0.331 4.290 3.960 -0.002 0.000 0.329 41 G HA3 0.331 4.290 3.960 -0.002 0.000 0.329 41 G C -1.235 173.648 174.900 -0.029 0.000 1.170 41 G CA -0.326 44.758 45.100 -0.026 0.000 0.935 41 G HN 0.600 8.890 8.290 0.000 0.000 0.492 42 E N -0.476 119.716 120.200 -0.013 0.000 2.304 42 E HA 0.459 4.808 4.350 -0.002 0.000 0.277 42 E C -0.894 175.724 176.600 0.030 0.000 0.898 42 E CA -0.701 55.706 56.400 0.012 0.000 0.764 42 E CB 1.900 31.612 29.700 0.020 0.000 1.216 42 E HN 0.596 8.956 8.360 0.000 0.000 0.419 43 I N 0.296 120.913 120.570 0.078 0.000 2.646 43 I HA 0.860 5.029 4.170 -0.002 0.000 0.299 43 I C -0.528 175.712 176.117 0.204 0.000 1.036 43 I CA -1.091 60.278 61.300 0.114 0.000 1.074 43 I CB 2.023 40.079 38.000 0.094 0.000 1.258 43 I HN 0.501 8.711 8.210 0.000 0.000 0.430 44 A N 3.321 126.246 122.820 0.174 0.000 2.310 44 A HA 0.708 5.027 4.320 -0.002 0.000 0.299 44 A C 0.485 178.232 177.584 0.271 0.000 1.147 44 A CA -0.192 51.969 52.037 0.207 0.000 0.818 44 A CB 0.573 19.654 19.000 0.134 0.000 1.096 44 A HN 1.086 9.236 8.150 0.000 0.000 0.495 45 G N 2.185 111.210 108.800 0.374 0.000 2.398 45 G HA2 0.463 4.421 3.960 -0.002 0.000 0.246 45 G HA3 0.463 4.421 3.960 -0.002 0.000 0.246 45 G C -2.528 172.529 174.900 0.263 0.000 1.289 45 G CA -0.737 44.593 45.100 0.384 0.000 0.869 45 G HN 0.539 8.829 8.290 0.000 0.000 0.543 46 P HA 0.211 4.631 4.420 0.000 0.000 0.272 46 P C -2.415 174.990 177.300 0.174 0.000 1.230 46 P CA -1.544 61.662 63.100 0.178 0.000 0.788 46 P CB 0.581 32.377 31.700 0.161 0.000 0.949 47 P HA 0.024 4.444 4.420 0.000 0.000 0.274 47 P C -0.368 176.993 177.300 0.102 0.000 1.231 47 P CA 0.386 63.550 63.100 0.107 0.000 0.790 47 P CB 0.231 31.979 31.700 0.081 0.000 0.951 48 D N -1.776 118.674 120.400 0.083 0.000 2.907 48 D HA -0.105 4.534 4.640 -0.002 0.000 0.226 48 D C 0.216 176.566 176.300 0.085 0.000 1.141 48 D CA 1.380 55.422 54.000 0.069 0.000 0.779 48 D CB -2.083 38.754 40.800 0.061 0.000 1.095 48 D HN 0.648 9.018 8.370 0.000 0.000 0.430 49 T N -4.875 109.740 114.554 0.101 0.000 2.901 49 T HA 0.593 4.942 4.350 -0.002 0.000 0.293 49 T C -2.299 172.391 174.700 -0.016 0.000 1.084 49 T CA -1.514 60.646 62.100 0.100 0.000 1.008 49 T CB 3.121 72.148 68.868 0.265 0.000 1.170 49 T HN -0.381 7.859 8.240 0.000 0.000 0.509 50 P HA -0.012 4.408 4.420 0.000 0.000 0.223 50 P C 0.597 177.729 177.300 -0.279 0.000 1.144 50 P CA 1.042 63.946 63.100 -0.327 0.000 0.783 50 P CB -0.330 31.052 31.700 -0.530 0.000 0.771 51 Y N -0.360 120.057 120.300 0.194 0.000 2.511 51 Y HA 0.098 4.647 4.550 -0.002 0.000 0.279 51 Y C 1.286 177.349 175.900 0.270 0.000 1.157 51 Y CA -0.516 57.749 58.100 0.274 0.000 1.300 51 Y CB -0.576 38.009 38.460 0.209 0.000 1.052 51 Y HN 0.002 8.282 8.280 0.000 0.000 0.529 52 E N 1.063 121.420 120.200 0.262 0.000 2.529 52 E HA 0.094 4.443 4.350 -0.002 0.000 0.259 52 E C 1.249 177.958 176.600 0.181 0.000 0.966 52 E CA 1.103 57.623 56.400 0.200 0.000 0.937 52 E CB 0.105 29.881 29.700 0.127 0.000 0.923 52 E HN 0.589 8.949 8.360 0.000 0.000 0.468 53 G N 2.705 111.604 108.800 0.166 0.000 2.241 53 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.244 53 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.244 53 G C 0.462 175.440 174.900 0.130 0.000 0.998 53 G CA -0.014 45.162 45.100 0.128 0.000 0.621 53 G HN 0.930 9.220 8.290 0.000 0.000 0.519 54 G N -0.309 108.609 108.800 0.197 0.000 2.476 54 G HA2 0.618 4.577 3.960 -0.002 0.000 0.286 54 G HA3 0.618 4.577 3.960 -0.002 0.000 0.286 54 G C -0.184 174.721 174.900 0.008 0.000 1.177 54 G CA -0.566 44.586 45.100 0.087 0.000 0.870 54 G HN 0.479 8.769 8.290 0.000 0.000 0.528 55 R N -0.059 120.290 120.500 -0.251 0.000 2.513 55 R HA 0.319 4.657 4.340 -0.002 0.000 0.301 55 R C -1.740 174.316 176.300 -0.407 0.000 0.968 55 R CA -0.600 55.406 56.100 -0.157 0.000 0.872 55 R CB 2.144 32.414 30.300 -0.051 0.000 1.177 55 R HN 0.562 8.832 8.270 0.000 0.000 0.444 56 Y N 1.598 121.989 120.300 0.151 0.000 2.328 56 Y HA 0.236 4.785 4.550 -0.001 0.000 0.333 56 Y C 0.257 176.197 175.900 0.068 0.000 0.958 56 Y CA -0.774 57.442 58.100 0.194 0.000 1.167 56 Y CB 1.869 40.550 38.460 0.369 0.000 1.151 56 Y HN 0.265 8.545 8.280 0.000 0.000 0.470 57 Q N 3.962 123.851 119.800 0.148 0.000 2.259 57 Q HA 0.615 4.954 4.340 -0.002 0.000 0.249 57 Q C -1.129 174.857 176.000 -0.024 0.000 0.914 57 Q CA -0.600 55.230 55.803 0.046 0.000 0.904 57 Q CB 1.791 30.555 28.738 0.043 0.000 1.213 57 Q HN 0.613 8.883 8.270 0.000 0.000 0.428 58 L N 1.115 122.275 121.223 -0.106 0.000 2.381 58 L HA 0.426 4.765 4.340 -0.002 0.000 0.268 58 L C -0.321 176.491 176.870 -0.097 0.000 0.997 58 L CA -0.629 54.096 54.840 -0.191 0.000 0.818 58 L CB 2.161 44.035 42.059 -0.308 0.000 1.310 58 L HN 0.583 8.813 8.230 0.000 0.000 0.416 59 E N 3.389 123.541 120.200 -0.081 0.000 2.115 59 E HA 0.504 4.852 4.350 -0.002 0.000 0.282 59 E C -1.355 175.203 176.600 -0.069 0.000 0.987 59 E CA -0.513 55.855 56.400 -0.053 0.000 0.797 59 E CB 1.074 30.756 29.700 -0.029 0.000 1.086 59 E HN 0.463 8.823 8.360 0.000 0.000 0.397 60 I N 4.792 125.322 120.570 -0.067 0.000 2.382 60 I HA 0.288 4.456 4.170 -0.002 0.000 0.286 60 I C -0.434 175.632 176.117 -0.086 0.000 1.002 60 I CA -0.638 60.613 61.300 -0.082 0.000 1.135 60 I CB 1.603 39.557 38.000 -0.077 0.000 1.288 60 I HN 0.260 8.470 8.210 0.000 0.000 0.448 61 K N 6.521 126.862 120.400 -0.098 0.000 2.274 61 K HA 0.572 4.891 4.320 -0.002 0.000 0.262 61 K C -0.878 175.634 176.600 -0.147 0.000 0.961 61 K CA -0.687 55.539 56.287 -0.102 0.000 0.833 61 K CB 1.921 34.376 32.500 -0.076 0.000 1.102 61 K HN 0.379 8.629 8.250 0.000 0.000 0.436 62 I N 5.581 126.051 120.570 -0.166 0.000 2.342 62 I HA 0.227 4.396 4.170 -0.002 0.000 0.291 62 I C -1.833 174.197 176.117 -0.146 0.000 1.010 62 I CA -2.774 58.374 61.300 -0.254 0.000 1.308 62 I CB 0.571 38.372 38.000 -0.332 0.000 1.400 62 I HN 0.436 8.646 8.210 0.000 0.000 0.488 63 P HA 0.172 4.592 4.420 0.000 0.000 0.274 63 P C 0.442 177.756 177.300 0.023 0.000 1.231 63 P CA -0.319 62.761 63.100 -0.033 0.000 0.790 63 P CB 1.356 33.039 31.700 -0.027 0.000 0.951 64 E N 0.813 121.030 120.200 0.029 0.000 2.209 64 E HA -0.112 4.237 4.350 -0.002 0.000 0.196 64 E C 1.399 178.054 176.600 0.091 0.000 0.993 64 E CA 1.792 58.222 56.400 0.051 0.000 0.819 64 E CB -0.632 29.091 29.700 0.039 0.000 0.745 64 E HN 0.619 8.979 8.360 0.000 0.000 0.477 65 T N -2.074 112.541 114.554 0.101 0.000 3.169 65 T HA -0.030 4.318 4.350 -0.002 0.000 0.250 65 T C 0.618 175.413 174.700 0.158 0.000 1.111 65 T CA -0.382 61.808 62.100 0.151 0.000 1.010 65 T CB -0.492 68.457 68.868 0.135 0.000 0.984 65 T HN -0.050 8.190 8.240 0.000 0.000 0.537 66 Y N 3.956 124.229 120.300 -0.045 0.000 2.497 66 Y HA 0.258 4.807 4.550 -0.001 0.000 0.334 66 Y C -1.628 174.132 175.900 -0.234 0.000 1.199 66 Y CA -2.028 55.996 58.100 -0.126 0.000 1.425 66 Y CB 1.186 39.579 38.460 -0.112 0.000 1.291 66 Y HN 0.011 8.291 8.280 0.000 0.000 0.562 67 P HA 0.047 4.467 4.420 0.000 0.000 0.257 67 P C 0.124 177.117 177.300 -0.512 0.000 1.325 67 P CA 0.718 63.086 63.100 -1.219 0.000 0.850 67 P CB -0.291 30.777 31.700 -1.053 0.000 1.324 68 F N -0.130 119.830 119.950 0.016 0.000 2.776 68 F HA 0.191 4.717 4.527 -0.002 0.000 0.300 68 F C 0.783 176.670 175.800 0.145 0.000 1.116 68 F CA -0.244 57.836 58.000 0.133 0.000 1.375 68 F CB -0.013 39.022 39.000 0.059 0.000 1.109 68 F HN -0.077 8.223 8.300 0.000 0.000 0.585 69 N N 0.081 118.817 118.700 0.060 0.000 2.262 69 N HA 0.310 5.049 4.740 -0.002 0.000 0.295 69 N C -2.730 172.317 175.510 -0.772 0.000 1.161 69 N CA -1.926 51.002 53.050 -0.203 0.000 0.767 69 N CB 2.043 40.492 38.487 -0.063 0.000 1.499 69 N HN -0.312 8.068 8.380 0.000 0.000 0.476 70 P HA 0.180 4.600 4.420 0.000 0.000 0.274 70 P C -2.712 174.212 177.300 -0.627 0.000 1.246 70 P CA -1.016 61.234 63.100 -1.417 0.000 0.795 70 P CB -0.129 31.124 31.700 -0.745 0.000 1.006 71 P HA 0.167 4.587 4.420 0.000 0.000 0.272 71 P C -0.526 176.654 177.300 -0.200 0.000 1.223 71 P CA -0.038 62.884 63.100 -0.297 0.000 0.784 71 P CB 0.604 32.150 31.700 -0.256 0.000 0.923 72 K N 1.205 121.517 120.400 -0.148 0.000 2.285 72 K HA 0.409 4.727 4.320 -0.002 0.000 0.286 72 K C -0.566 175.984 176.600 -0.082 0.000 1.072 72 K CA -0.579 55.650 56.287 -0.097 0.000 0.913 72 K CB 0.689 33.144 32.500 -0.076 0.000 1.067 72 K HN 0.230 8.480 8.250 0.000 0.000 0.479 73 V N 3.667 123.544 119.914 -0.063 0.000 2.656 73 V HA 0.513 4.631 4.120 -0.002 0.000 0.307 73 V C -0.347 175.725 176.094 -0.036 0.000 1.051 73 V CA -0.984 61.276 62.300 -0.066 0.000 0.893 73 V CB 1.830 33.605 31.823 -0.079 0.000 0.999 73 V HN 0.728 8.918 8.190 0.000 0.000 0.426 74 R N 2.520 122.994 120.500 -0.044 0.000 2.651 74 R HA 0.528 4.867 4.340 -0.002 0.000 0.278 74 R C -1.644 174.664 176.300 0.013 0.000 1.010 74 R CA -0.718 55.399 56.100 0.029 0.000 0.896 74 R CB 1.721 32.040 30.300 0.032 0.000 1.211 74 R HN 0.564 8.834 8.270 0.000 0.000 0.456 75 F N 4.537 124.486 119.950 -0.001 0.000 2.506 75 F HA 0.125 4.650 4.527 -0.002 0.000 0.371 75 F C 1.543 177.369 175.800 0.043 0.000 1.078 75 F CA 0.152 58.169 58.000 0.029 0.000 1.195 75 F CB 0.649 39.664 39.000 0.026 0.000 1.099 75 F HN 0.493 8.793 8.300 0.000 0.000 0.548 76 I N 1.061 121.739 120.570 0.181 0.000 2.400 76 I HA -0.084 4.085 4.170 -0.002 0.000 0.248 76 I C 1.017 177.234 176.117 0.166 0.000 1.109 76 I CA 0.664 62.040 61.300 0.127 0.000 1.425 76 I CB -0.174 37.868 38.000 0.070 0.000 1.094 76 I HN 0.417 8.627 8.210 0.000 0.000 0.425 77 T N 3.501 118.208 114.554 0.254 0.000 2.870 77 T HA 0.111 4.460 4.350 -0.002 0.000 0.300 77 T C 0.142 175.033 174.700 0.318 0.000 0.989 77 T CA -0.301 61.965 62.100 0.277 0.000 1.139 77 T CB 0.353 69.432 68.868 0.350 0.000 0.920 77 T HN 0.113 8.353 8.240 0.000 0.000 0.537 78 K N 2.828 123.303 120.400 0.124 0.000 2.382 78 K HA 0.501 4.819 4.320 -0.002 0.000 0.275 78 K C -0.258 176.617 176.600 0.459 0.000 1.009 78 K CA -0.155 56.199 56.287 0.112 0.000 0.970 78 K CB 0.798 33.005 32.500 -0.487 0.000 0.934 78 K HN 0.520 8.770 8.250 0.000 0.000 0.479 79 I N 1.323 122.168 120.570 0.458 0.000 2.775 79 I HA 0.230 4.399 4.170 -0.002 0.000 0.295 79 I C -1.670 174.499 176.117 0.087 0.000 1.287 79 I CA -0.759 60.750 61.300 0.348 0.000 1.029 79 I CB 1.657 39.558 38.000 -0.164 0.000 1.282 79 I HN 0.741 8.951 8.210 0.000 0.000 0.426 80 W N 8.238 129.420 121.300 -0.197 0.000 2.288 80 W HA 0.411 5.069 4.660 -0.002 0.000 0.325 80 W C -1.568 175.006 176.519 0.092 0.000 1.019 80 W CA -0.201 56.871 57.345 -0.455 0.000 1.403 80 W CB 0.601 29.525 29.460 -0.894 0.000 1.226 80 W HN 0.569 8.749 8.180 0.000 0.000 0.391 81 H N 7.212 126.131 119.070 -0.250 0.000 3.086 81 H HA 0.170 4.725 4.556 -0.002 0.000 0.353 81 H C -2.038 173.105 175.328 -0.308 0.000 1.134 81 H CA -1.325 54.673 56.048 -0.084 0.000 1.248 81 H CB 2.563 32.215 29.762 -0.183 0.000 1.878 81 H HN 0.047 8.327 8.280 0.000 0.000 0.527 82 P HA -0.094 4.326 4.420 0.000 0.000 0.218 82 P C 0.489 177.668 177.300 -0.203 0.000 1.146 82 P CA 1.194 64.026 63.100 -0.447 0.000 0.813 82 P CB 0.417 31.689 31.700 -0.713 0.000 0.778 83 N N -0.878 117.868 118.700 0.077 0.000 2.214 83 N HA 0.183 4.922 4.740 -0.002 0.000 0.214 83 N C 0.204 175.684 175.510 -0.050 0.000 1.132 83 N CA 0.155 53.216 53.050 0.018 0.000 0.856 83 N CB 0.991 39.507 38.487 0.049 0.000 1.020 83 N HN 0.255 8.635 8.380 0.000 0.000 0.509 84 I N 0.122 120.637 120.570 -0.092 0.000 2.582 84 I HA 0.112 4.280 4.170 -0.002 0.000 0.292 84 I C 0.130 176.150 176.117 -0.161 0.000 1.066 84 I CA -0.800 60.392 61.300 -0.180 0.000 1.053 84 I CB 2.304 40.050 38.000 -0.423 0.000 1.241 84 I HN -0.180 8.030 8.210 0.000 0.000 0.421 85 S N 3.032 118.670 115.700 -0.102 0.000 2.488 85 S HA 0.051 4.520 4.470 -0.002 0.000 0.278 85 S C 1.364 175.926 174.600 -0.063 0.000 1.259 85 S CA -0.131 58.019 58.200 -0.083 0.000 1.061 85 S CB 0.630 63.810 63.200 -0.032 0.000 0.910 85 S HN 0.760 9.070 8.310 0.000 0.000 0.491 86 S N 4.262 119.908 115.700 -0.091 0.000 2.442 86 S HA -0.085 4.384 4.470 -0.002 0.000 0.236 86 S C 1.450 176.159 174.600 0.182 0.000 1.007 86 S CA 1.112 59.331 58.200 0.031 0.000 0.965 86 S CB -0.395 62.806 63.200 0.001 0.000 0.773 86 S HN 0.591 8.901 8.310 0.000 0.000 0.504 87 V N 2.148 122.121 119.914 0.099 0.000 2.436 87 V HA -0.007 4.112 4.120 -0.002 0.000 0.240 87 V C 2.864 179.001 176.094 0.071 0.000 1.040 87 V CA 1.692 64.051 62.300 0.098 0.000 1.052 87 V CB -0.861 31.002 31.823 0.067 0.000 0.707 87 V HN 0.771 8.961 8.190 0.000 0.000 0.469 88 T N -2.827 111.757 114.554 0.050 0.000 3.037 88 T HA 0.299 4.648 4.350 -0.002 0.000 0.251 88 T C 1.625 176.364 174.700 0.065 0.000 1.079 88 T CA 0.959 63.087 62.100 0.047 0.000 1.067 88 T CB 0.695 69.582 68.868 0.031 0.000 0.948 88 T HN 0.961 9.201 8.240 0.000 0.000 0.496 89 G N 1.725 110.568 108.800 0.072 0.000 2.184 89 G HA2 -0.115 3.843 3.960 -0.002 0.000 0.264 89 G HA3 -0.115 3.843 3.960 -0.002 0.000 0.264 89 G C 0.394 175.368 174.900 0.124 0.000 0.975 89 G CA 0.044 45.218 45.100 0.123 0.000 0.642 89 G HN 1.235 9.525 8.290 0.000 0.000 0.536 90 A N -0.304 122.552 122.820 0.060 0.000 2.531 90 A HA 0.581 4.900 4.320 -0.002 0.000 0.236 90 A C 0.454 178.062 177.584 0.040 0.000 1.062 90 A CA 0.628 52.692 52.037 0.044 0.000 0.760 90 A CB 0.206 19.215 19.000 0.016 0.000 0.995 90 A HN 0.916 9.066 8.150 0.000 0.000 0.501 91 I N 1.480 122.079 120.570 0.048 0.000 2.433 91 I HA 0.253 4.421 4.170 -0.002 0.000 0.292 91 I C -0.246 175.879 176.117 0.013 0.000 1.001 91 I CA -0.366 60.961 61.300 0.045 0.000 1.119 91 I CB 1.825 39.886 38.000 0.102 0.000 1.289 91 I HN 0.658 8.868 8.210 0.000 0.000 0.438 92 C N 8.478 127.773 119.300 -0.009 0.000 2.168 92 C HA 0.726 5.185 4.460 -0.002 0.000 0.333 92 C C -0.690 174.298 174.990 -0.002 0.000 1.106 92 C CA -0.285 58.727 59.018 -0.010 0.000 1.574 92 C CB -0.946 26.777 27.740 -0.028 0.000 2.055 92 C HN 0.642 8.872 8.230 0.000 0.000 0.473 93 L N 7.084 128.316 121.223 0.015 0.000 2.505 93 L HA 0.476 4.815 4.340 -0.002 0.000 0.266 93 L C 0.787 177.684 176.870 0.045 0.000 0.954 93 L CA 0.142 54.998 54.840 0.028 0.000 0.852 93 L CB 1.577 43.658 42.059 0.037 0.000 1.282 93 L HN 0.738 8.968 8.230 0.000 0.000 0.403 94 D N 3.774 124.200 120.400 0.044 0.000 2.178 94 D HA -0.218 4.421 4.640 -0.002 0.000 0.202 94 D C 1.633 177.989 176.300 0.094 0.000 0.974 94 D CA 1.949 55.982 54.000 0.054 0.000 0.841 94 D CB -0.402 40.421 40.800 0.038 0.000 0.953 94 D HN 0.723 9.093 8.370 0.000 0.000 0.478 95 I N -2.259 118.380 120.570 0.115 0.000 2.614 95 I HA -0.071 4.098 4.170 -0.002 0.000 0.258 95 I C 1.880 178.175 176.117 0.297 0.000 1.189 95 I CA 0.872 62.295 61.300 0.205 0.000 1.462 95 I CB -0.289 37.819 38.000 0.180 0.000 1.092 95 I HN -0.099 8.111 8.210 0.000 0.000 0.442 96 L N 0.208 121.531 121.223 0.167 0.000 2.567 96 L HA 0.214 4.553 4.340 -0.002 0.000 0.225 96 L C 1.740 178.647 176.870 0.061 0.000 1.119 96 L CA 0.275 55.173 54.840 0.097 0.000 0.871 96 L CB -0.228 41.861 42.059 0.051 0.000 1.036 96 L HN 0.289 8.519 8.230 0.000 0.000 0.459 97 K N -0.034 120.418 120.400 0.087 0.000 4.450 97 K HA 0.109 4.428 4.320 -0.002 0.000 0.247 97 K C 0.705 177.361 176.600 0.094 0.000 1.242 97 K CA 0.101 56.426 56.287 0.063 0.000 1.820 97 K CB -0.117 32.409 32.500 0.043 0.000 2.701 97 K HN -0.043 8.207 8.250 0.000 0.000 0.569 98 D N 0.485 120.935 120.400 0.084 0.000 2.360 98 D HA -0.042 4.597 4.640 -0.002 0.000 0.210 98 D C 0.964 177.325 176.300 0.102 0.000 1.047 98 D CA 0.514 54.565 54.000 0.084 0.000 0.854 98 D CB 0.346 41.177 40.800 0.052 0.000 0.936 98 D HN 0.051 8.421 8.370 0.000 0.000 0.514 99 Q N -0.060 119.811 119.800 0.118 0.000 2.172 99 Q HA 0.072 4.411 4.340 -0.002 0.000 0.217 99 Q C -0.095 175.977 176.000 0.120 0.000 0.832 99 Q CA -0.492 55.367 55.803 0.092 0.000 1.010 99 Q CB 0.185 28.954 28.738 0.052 0.000 1.133 99 Q HN 0.448 8.718 8.270 0.000 0.000 0.489 100 W N 1.283 122.594 121.300 0.019 0.000 2.170 100 W HA 0.307 4.966 4.660 -0.001 0.000 0.342 100 W C -0.850 175.679 176.519 0.017 0.000 1.294 100 W CA 0.387 57.744 57.345 0.021 0.000 1.246 100 W CB 0.589 30.069 29.460 0.032 0.000 1.156 100 W HN 0.017 8.197 8.180 0.000 0.000 0.572 101 A N 3.779 126.037 122.820 -0.937 0.000 2.475 101 A HA 0.624 4.943 4.320 -0.002 0.000 0.301 101 A C 0.230 177.209 177.584 -1.009 0.000 1.059 101 A CA -0.009 51.630 52.037 -0.665 0.000 0.710 101 A CB 1.412 20.175 19.000 -0.394 0.000 1.288 101 A HN 0.995 9.145 8.150 0.000 0.000 0.408 102 A N 0.980 123.553 122.820 -0.413 0.000 2.067 102 A HA 0.284 4.603 4.320 -0.002 0.000 0.219 102 A C 1.996 179.389 177.584 -0.319 0.000 1.158 102 A CA 1.999 53.884 52.037 -0.253 0.000 0.661 102 A CB -0.575 18.422 19.000 -0.006 0.000 0.801 102 A HN 1.859 10.008 8.150 0.000 0.000 0.452 103 A N -0.665 121.972 122.820 -0.306 0.000 2.172 103 A HA 0.217 4.536 4.320 -0.002 0.000 0.216 103 A C 1.223 178.640 177.584 -0.278 0.000 1.154 103 A CA 0.363 52.258 52.037 -0.236 0.000 0.701 103 A CB -0.496 18.402 19.000 -0.170 0.000 0.789 103 A HN 0.575 8.725 8.150 0.000 0.000 0.465 104 M N 0.449 119.750 119.600 -0.499 0.000 2.226 104 M HA 0.315 4.794 4.480 -0.002 0.000 0.324 104 M C 0.547 176.782 176.300 -0.108 0.000 1.112 104 M CA 0.362 55.405 55.300 -0.428 0.000 1.176 104 M CB 0.855 32.959 32.600 -0.826 0.000 1.430 104 M HN 0.380 8.670 8.290 0.000 0.000 0.462 105 T N -1.895 112.699 114.554 0.067 0.000 2.901 105 T HA 0.488 4.837 4.350 -0.002 0.000 0.293 105 T C 0.805 175.645 174.700 0.233 0.000 1.084 105 T CA -1.065 61.148 62.100 0.189 0.000 1.008 105 T CB 1.012 69.934 68.868 0.090 0.000 1.170 105 T HN 0.635 8.875 8.240 0.000 0.000 0.509 106 L N 0.257 121.611 121.223 0.218 0.000 2.021 106 L HA -0.156 4.182 4.340 -0.002 0.000 0.215 106 L C 3.139 180.066 176.870 0.094 0.000 1.074 106 L CA 1.950 56.876 54.840 0.144 0.000 0.760 106 L CB -0.503 41.623 42.059 0.111 0.000 0.889 106 L HN 0.783 9.013 8.230 0.000 0.000 0.433 107 R N -0.013 120.531 120.500 0.072 0.000 2.073 107 R HA -0.189 4.150 4.340 -0.002 0.000 0.234 107 R C 2.391 178.716 176.300 0.042 0.000 1.134 107 R CA 2.205 58.329 56.100 0.039 0.000 0.952 107 R CB -0.371 29.943 30.300 0.023 0.000 0.850 107 R HN 0.519 8.789 8.270 0.000 0.000 0.433 108 T N -2.061 112.523 114.554 0.050 0.000 2.951 108 T HA -0.011 4.338 4.350 -0.002 0.000 0.268 108 T C 1.922 176.658 174.700 0.061 0.000 1.073 108 T CA 1.080 63.202 62.100 0.037 0.000 1.134 108 T CB -0.204 68.666 68.868 0.004 0.000 0.884 108 T HN 0.066 8.306 8.240 0.000 0.000 0.479 109 V N 1.542 121.519 119.914 0.106 0.000 2.358 109 V HA -0.023 4.096 4.120 -0.002 0.000 0.246 109 V C 2.742 178.868 176.094 0.053 0.000 1.047 109 V CA 1.384 63.753 62.300 0.114 0.000 1.035 109 V CB -0.714 31.210 31.823 0.168 0.000 0.658 109 V HN 0.445 8.635 8.190 0.000 0.000 0.452 110 L N -0.686 120.558 121.223 0.034 0.000 2.046 110 L HA -0.177 4.162 4.340 -0.002 0.000 0.208 110 L C 2.389 179.270 176.870 0.018 0.000 1.077 110 L CA 1.514 56.359 54.840 0.007 0.000 0.747 110 L CB -0.553 41.509 42.059 0.005 0.000 0.896 110 L HN 0.285 8.515 8.230 0.000 0.000 0.432 111 L N -1.062 120.177 121.223 0.027 0.000 2.141 111 L HA -0.160 4.179 4.340 -0.002 0.000 0.209 111 L C 2.606 179.494 176.870 0.030 0.000 1.094 111 L CA 0.863 55.720 54.840 0.029 0.000 0.763 111 L CB -0.420 41.654 42.059 0.025 0.000 0.908 111 L HN 0.197 8.427 8.230 0.000 0.000 0.437 112 S N -0.123 115.596 115.700 0.032 0.000 2.406 112 S HA -0.031 4.438 4.470 -0.002 0.000 0.228 112 S C 1.953 176.570 174.600 0.028 0.000 1.020 112 S CA 0.854 59.074 58.200 0.033 0.000 0.965 112 S CB -0.109 63.117 63.200 0.042 0.000 0.798 112 S HN 0.293 8.603 8.310 0.000 0.000 0.488 113 L N 1.274 122.512 121.223 0.025 0.000 2.109 113 L HA -0.099 4.240 4.340 -0.002 0.000 0.207 113 L C 2.801 179.682 176.870 0.019 0.000 1.086 113 L CA 1.145 55.999 54.840 0.024 0.000 0.760 113 L CB -0.444 41.618 42.059 0.006 0.000 0.910 113 L HN 0.361 8.591 8.230 0.000 0.000 0.437 114 Q N 0.194 120.011 119.800 0.029 0.000 2.084 114 Q HA -0.221 4.117 4.340 -0.002 0.000 0.202 114 Q C 2.282 178.306 176.000 0.040 0.000 0.978 114 Q CA 1.752 57.578 55.803 0.039 0.000 0.844 114 Q CB -0.056 28.716 28.738 0.058 0.000 0.898 114 Q HN 0.503 8.773 8.270 0.000 0.000 0.426 115 A N 0.746 123.590 122.820 0.040 0.000 1.933 115 A HA -0.175 4.144 4.320 -0.002 0.000 0.218 115 A C 1.984 179.597 177.584 0.049 0.000 1.175 115 A CA 1.302 53.368 52.037 0.048 0.000 0.628 115 A CB -0.740 18.284 19.000 0.040 0.000 0.814 115 A HN 0.511 8.661 8.150 0.000 0.000 0.444 116 L N -0.070 121.165 121.223 0.019 0.000 2.079 116 L HA -0.119 4.220 4.340 -0.002 0.000 0.210 116 L C 2.133 179.021 176.870 0.030 0.000 1.081 116 L CA 1.631 56.474 54.840 0.006 0.000 0.752 116 L CB -0.415 41.612 42.059 -0.054 0.000 0.896 116 L HN 0.408 8.638 8.230 0.000 0.000 0.433 117 L N -0.616 120.565 121.223 -0.070 0.000 2.191 117 L HA -0.129 4.209 4.340 -0.002 0.000 0.212 117 L C 2.365 179.388 176.870 0.255 0.000 1.103 117 L CA 1.054 55.842 54.840 -0.086 0.000 0.769 117 L CB -0.863 41.011 42.059 -0.308 0.000 0.908 117 L HN 0.426 8.656 8.230 0.000 0.000 0.438 118 A N -0.623 122.315 122.820 0.197 0.000 2.267 118 A HA 0.500 4.818 4.320 -0.002 0.000 0.213 118 A C 1.111 178.808 177.584 0.188 0.000 1.192 118 A CA 0.679 52.844 52.037 0.213 0.000 0.851 118 A CB 0.069 19.160 19.000 0.150 0.000 0.881 118 A HN 0.256 8.406 8.150 0.000 0.000 0.494 119 A N 0.013 122.937 122.820 0.173 0.000 3.156 119 A HA 0.660 4.978 4.320 -0.002 0.000 0.311 119 A C 0.171 177.808 177.584 0.088 0.000 1.129 119 A CA 0.193 52.303 52.037 0.122 0.000 0.809 119 A CB -0.461 18.587 19.000 0.080 0.000 1.257 119 A HN 1.044 9.194 8.150 0.000 0.000 0.491 120 A N 0.757 123.593 122.820 0.025 0.000 2.386 120 A HA 0.593 4.912 4.320 -0.002 0.000 0.248 120 A C 0.238 177.666 177.584 -0.260 0.000 1.082 120 A CA -0.002 51.909 52.037 -0.211 0.000 0.789 120 A CB 0.318 18.833 19.000 -0.808 0.000 1.025 120 A HN 0.675 8.825 8.150 0.000 0.000 0.490 121 E N 1.780 121.832 120.200 -0.247 0.000 2.489 121 E HA 0.340 4.689 4.350 -0.002 0.000 0.232 121 E C -2.101 174.326 176.600 -0.289 0.000 0.990 121 E CA -2.297 53.975 56.400 -0.213 0.000 0.768 121 E CB 1.015 30.652 29.700 -0.104 0.000 1.270 121 E HN 0.322 8.682 8.360 0.000 0.000 0.423 122 P HA -0.014 4.406 4.420 0.000 0.000 0.229 122 P C -0.028 177.148 177.300 -0.207 0.000 1.160 122 P CA 0.629 63.489 63.100 -0.399 0.000 0.777 122 P CB 0.536 31.953 31.700 -0.472 0.000 0.814 123 D N -0.376 119.938 120.400 -0.144 0.000 2.340 123 D HA -0.019 4.620 4.640 -0.002 0.000 0.220 123 D C 0.114 176.365 176.300 -0.082 0.000 1.039 123 D CA 0.834 54.779 54.000 -0.091 0.000 0.866 123 D CB 0.008 40.771 40.800 -0.060 0.000 0.913 123 D HN 0.190 8.560 8.370 0.000 0.000 0.523 124 D N 0.961 121.302 120.400 -0.097 0.000 2.513 124 D HA 0.172 4.811 4.640 -0.002 0.000 0.295 124 D C -2.622 173.622 176.300 -0.094 0.000 1.202 124 D CA -1.849 52.105 54.000 -0.078 0.000 0.849 124 D CB 1.416 42.182 40.800 -0.057 0.000 1.116 124 D HN -0.068 8.302 8.370 0.000 0.000 0.502 125 P HA 0.230 4.650 4.420 0.000 0.000 0.283 125 P C 0.208 177.447 177.300 -0.103 0.000 1.271 125 P CA -0.361 62.659 63.100 -0.133 0.000 0.841 125 P CB 2.200 33.804 31.700 -0.160 0.000 1.122 126 Q N 0.132 119.866 119.800 -0.109 0.000 2.259 126 Q HA 0.066 4.404 4.340 -0.002 0.000 0.201 126 Q C -0.032 175.903 176.000 -0.108 0.000 0.938 126 Q CA 1.286 57.036 55.803 -0.089 0.000 0.872 126 Q CB 0.056 28.747 28.738 -0.078 0.000 0.971 126 Q HN 0.382 8.652 8.270 0.000 0.000 0.494 127 D N -0.394 119.912 120.400 -0.157 0.000 2.461 127 D HA 0.331 4.970 4.640 -0.002 0.000 0.240 127 D C -0.087 176.095 176.300 -0.198 0.000 1.094 127 D CA 0.117 54.004 54.000 -0.188 0.000 0.868 127 D CB 1.540 42.172 40.800 -0.279 0.000 1.062 127 D HN 0.263 8.633 8.370 0.000 0.000 0.530 128 A N 3.284 126.023 122.820 -0.135 0.000 1.930 128 A HA -0.100 4.219 4.320 -0.002 0.000 0.217 128 A C 2.119 179.642 177.584 -0.101 0.000 1.175 128 A CA 1.124 53.097 52.037 -0.107 0.000 0.627 128 A CB -0.250 18.711 19.000 -0.065 0.000 0.815 128 A HN 0.485 8.635 8.150 0.000 0.000 0.443 129 V N -0.260 119.596 119.914 -0.097 0.000 2.295 129 V HA -0.238 3.881 4.120 -0.002 0.000 0.246 129 V C 2.565 178.593 176.094 -0.110 0.000 1.049 129 V CA 2.046 64.315 62.300 -0.052 0.000 1.024 129 V CB -0.960 30.866 31.823 0.004 0.000 0.648 129 V HN 0.370 8.560 8.190 0.000 0.000 0.447 130 V N 0.481 120.180 119.914 -0.357 0.000 2.343 130 V HA -0.255 3.864 4.120 -0.002 0.000 0.247 130 V C 2.743 178.688 176.094 -0.248 0.000 1.051 130 V CA 2.023 63.998 62.300 -0.541 0.000 1.036 130 V CB -1.279 29.919 31.823 -1.042 0.000 0.654 130 V HN 0.552 8.742 8.190 0.000 0.000 0.451 131 A N 0.370 123.033 122.820 -0.262 0.000 1.902 131 A HA -0.276 4.043 4.320 -0.002 0.000 0.217 131 A C 2.064 179.597 177.584 -0.087 0.000 1.181 131 A CA 2.305 54.204 52.037 -0.231 0.000 0.623 131 A CB -0.875 17.989 19.000 -0.227 0.000 0.818 131 A HN 0.708 8.858 8.150 0.000 0.000 0.443 132 N N -0.818 117.854 118.700 -0.046 0.000 2.084 132 N HA -0.231 4.508 4.740 -0.002 0.000 0.190 132 N C 2.097 177.649 175.510 0.070 0.000 1.030 132 N CA 1.369 54.426 53.050 0.013 0.000 0.849 132 N CB -0.202 38.295 38.487 0.017 0.000 1.012 132 N HN 0.721 9.101 8.380 0.000 0.000 0.423 133 Q N 0.281 120.158 119.800 0.129 0.000 2.084 133 Q HA -0.239 4.100 4.340 -0.002 0.000 0.202 133 Q C 1.897 178.026 176.000 0.216 0.000 0.978 133 Q CA 1.303 57.247 55.803 0.235 0.000 0.844 133 Q CB -0.166 28.826 28.738 0.424 0.000 0.898 133 Q HN 0.464 8.734 8.270 0.000 0.000 0.426 134 Y N 1.117 121.379 120.300 -0.064 0.000 2.114 134 Y HA -0.271 4.278 4.550 -0.002 0.000 0.282 134 Y C 1.931 177.730 175.900 -0.168 0.000 1.165 134 Y CA 2.176 60.065 58.100 -0.352 0.000 1.148 134 Y CB 0.119 38.141 38.460 -0.730 0.000 0.972 134 Y HN 0.030 8.310 8.280 0.000 0.000 0.504 135 K N -0.679 119.775 120.400 0.090 0.000 2.044 135 K HA -0.128 4.191 4.320 -0.002 0.000 0.204 135 K C 2.075 178.686 176.600 0.017 0.000 1.049 135 K CA 1.583 57.899 56.287 0.047 0.000 0.945 135 K CB -0.177 32.353 32.500 0.049 0.000 0.724 135 K HN 0.421 8.671 8.250 0.000 0.000 0.440 136 Q N -0.047 119.777 119.800 0.041 0.000 2.269 136 Q HA 0.013 4.351 4.340 -0.002 0.000 0.201 136 Q C 0.375 176.405 176.000 0.051 0.000 0.946 136 Q CA 0.538 56.367 55.803 0.044 0.000 0.877 136 Q CB 0.368 29.139 28.738 0.055 0.000 0.963 136 Q HN 0.065 8.335 8.270 0.000 0.000 0.472 137 N N -0.637 118.106 118.700 0.071 0.000 2.722 137 N HA 0.138 4.876 4.740 -0.002 0.000 0.242 137 N C -2.517 173.049 175.510 0.094 0.000 1.398 137 N CA -1.367 51.733 53.050 0.084 0.000 0.755 137 N CB 1.144 39.707 38.487 0.127 0.000 1.268 137 N HN -0.171 8.209 8.380 0.000 0.000 0.522 138 P HA -0.124 4.296 4.420 0.000 0.000 0.216 138 P C 1.086 178.425 177.300 0.066 0.000 1.150 138 P CA 1.161 64.237 63.100 -0.041 0.000 0.843 138 P CB 0.627 32.249 31.700 -0.130 0.000 0.787 139 E N -0.891 119.336 120.200 0.045 0.000 2.152 139 E HA -0.122 4.227 4.350 -0.002 0.000 0.192 139 E C 2.009 178.649 176.600 0.065 0.000 0.983 139 E CA 0.872 57.292 56.400 0.034 0.000 0.818 139 E CB -0.869 28.832 29.700 0.002 0.000 0.758 139 E HN 0.091 8.451 8.360 0.000 0.000 0.467 140 M N -0.761 118.915 119.600 0.127 0.000 2.132 140 M HA -0.091 4.388 4.480 -0.002 0.000 0.263 140 M C 1.839 178.280 176.300 0.235 0.000 1.065 140 M CA 1.340 56.754 55.300 0.190 0.000 1.122 140 M CB -0.193 32.551 32.600 0.240 0.000 1.365 140 M HN 0.269 8.559 8.290 0.000 0.000 0.411 141 F N 1.154 121.208 119.950 0.173 0.000 2.095 141 F HA -0.254 4.272 4.527 -0.002 0.000 0.298 141 F C 2.160 178.074 175.800 0.190 0.000 1.104 141 F CA 2.082 60.234 58.000 0.254 0.000 1.232 141 F CB -0.416 38.690 39.000 0.175 0.000 0.987 141 F HN 0.045 8.345 8.300 0.000 0.000 0.475 142 K N -0.402 119.964 120.400 -0.057 0.000 2.063 142 K HA -0.223 4.096 4.320 -0.002 0.000 0.208 142 K C 2.173 178.663 176.600 -0.182 0.000 1.048 142 K CA 1.793 57.991 56.287 -0.149 0.000 0.928 142 K CB -0.107 32.384 32.500 -0.015 0.000 0.713 142 K HN 0.292 8.542 8.250 0.000 0.000 0.442 143 Q N -0.488 119.257 119.800 -0.091 0.000 2.137 143 Q HA -0.051 4.288 4.340 -0.002 0.000 0.198 143 Q C 2.109 178.144 176.000 0.058 0.000 0.960 143 Q CA 1.463 57.216 55.803 -0.084 0.000 0.847 143 Q CB -0.284 28.319 28.738 -0.225 0.000 0.915 143 Q HN 0.345 8.615 8.270 0.000 0.000 0.448 144 T N 1.605 116.205 114.554 0.077 0.000 2.674 144 T HA -0.135 4.214 4.350 -0.002 0.000 0.265 144 T C 1.913 176.557 174.700 -0.093 0.000 1.039 144 T CA 1.656 63.754 62.100 -0.004 0.000 1.150 144 T CB -0.394 68.290 68.868 -0.308 0.000 0.864 144 T HN 0.394 8.634 8.240 0.000 0.000 0.427 145 A N 1.688 124.346 122.820 -0.270 0.000 1.917 145 A HA -0.198 4.121 4.320 -0.002 0.000 0.219 145 A C 2.319 179.924 177.584 0.036 0.000 1.182 145 A CA 2.157 54.114 52.037 -0.134 0.000 0.633 145 A CB -0.694 18.005 19.000 -0.502 0.000 0.819 145 A HN 0.445 8.595 8.150 0.000 0.000 0.448 146 R N -0.690 119.780 120.500 -0.049 0.000 2.096 146 R HA -0.078 4.260 4.340 -0.002 0.000 0.235 146 R C 2.142 178.541 176.300 0.165 0.000 1.127 146 R CA 1.380 57.499 56.100 0.031 0.000 0.968 146 R CB -0.294 29.974 30.300 -0.053 0.000 0.861 146 R HN 0.505 8.775 8.270 0.000 0.000 0.440 147 L N -0.061 121.284 121.223 0.204 0.000 2.017 147 L HA -0.167 4.172 4.340 -0.002 0.000 0.208 147 L C 1.470 178.546 176.870 0.342 0.000 1.073 147 L CA 1.854 56.856 54.840 0.271 0.000 0.745 147 L CB -0.986 41.261 42.059 0.312 0.000 0.894 147 L HN 0.305 8.535 8.230 0.000 0.000 0.432 148 W N 0.529 121.936 121.300 0.178 0.000 2.342 148 W HA -0.147 4.513 4.660 -0.001 0.000 0.297 148 W C 2.835 179.569 176.519 0.358 0.000 1.213 148 W CA 1.953 59.491 57.345 0.322 0.000 1.251 148 W CB -1.004 28.724 29.460 0.447 0.000 1.136 148 W HN 0.306 8.486 8.180 0.000 0.000 0.526 149 A N -0.888 122.271 122.820 0.566 0.000 1.902 149 A HA -0.265 4.054 4.320 -0.002 0.000 0.217 149 A C 2.008 179.763 177.584 0.285 0.000 1.181 149 A CA 1.968 54.292 52.037 0.479 0.000 0.623 149 A CB -1.306 17.967 19.000 0.455 0.000 0.818 149 A HN 0.531 8.681 8.150 0.000 0.000 0.443 150 H N -0.370 118.783 119.070 0.139 0.000 2.299 150 H HA -0.084 4.471 4.556 -0.001 0.000 0.302 150 H C 2.005 177.316 175.328 -0.028 0.000 1.078 150 H CA 2.112 58.186 56.048 0.042 0.000 1.323 150 H CB 0.002 29.774 29.762 0.017 0.000 1.381 150 H HN 0.228 8.508 8.280 0.000 0.000 0.498 151 V N 0.187 119.939 119.914 -0.271 0.000 2.358 151 V HA -0.230 3.889 4.120 -0.002 0.000 0.246 151 V C 1.875 177.674 176.094 -0.492 0.000 1.047 151 V CA 1.824 63.796 62.300 -0.547 0.000 1.035 151 V CB -0.719 30.664 31.823 -0.734 0.000 0.658 151 V HN 0.453 8.643 8.190 0.000 0.000 0.452 152 Y N -0.999 119.283 120.300 -0.030 0.000 2.524 152 Y HA 0.425 4.974 4.550 -0.003 0.000 0.270 152 Y C 2.162 178.050 175.900 -0.020 0.000 1.094 152 Y CA 0.572 58.672 58.100 -0.001 0.000 1.276 152 Y CB 0.188 38.707 38.460 0.098 0.000 1.130 152 Y HN 0.165 8.445 8.280 0.000 0.000 0.536 153 A N -0.592 122.289 122.820 0.101 0.000 2.431 153 A HA 0.493 4.811 4.320 -0.002 0.000 0.239 153 A C 1.698 179.226 177.584 -0.093 0.000 1.230 153 A CA 0.579 52.539 52.037 -0.128 0.000 0.928 153 A CB -0.409 18.357 19.000 -0.390 0.000 1.006 153 A HN 0.465 8.615 8.150 0.000 0.000 0.520 154 G N -0.943 107.831 108.800 -0.044 0.000 2.147 154 G HA2 0.102 4.061 3.960 -0.002 0.000 0.244 154 G HA3 0.102 4.061 3.960 -0.002 0.000 0.244 154 G C 0.470 175.390 174.900 0.034 0.000 1.005 154 G CA 0.384 45.463 45.100 -0.035 0.000 0.713 154 G HN 1.556 9.846 8.290 0.000 0.000 0.515 155 A N 0.322 123.196 122.820 0.091 0.000 2.366 155 A HA 0.748 5.067 4.320 -0.002 0.000 0.249 155 A C 0.153 177.866 177.584 0.216 0.000 1.084 155 A CA -0.292 51.835 52.037 0.149 0.000 0.794 155 A CB 0.696 19.811 19.000 0.191 0.000 1.034 155 A HN 0.147 8.297 8.150 0.000 0.000 0.491 156 P HA 0.069 4.489 4.420 0.000 0.000 0.215 156 P C 0.604 177.914 177.300 0.016 0.000 1.157 156 P CA 2.008 65.179 63.100 0.118 0.000 0.856 156 P CB -0.260 31.469 31.700 0.048 0.000 0.786 157 V N -1.161 118.704 119.914 -0.081 0.000 3.046 157 V HA 0.745 4.864 4.120 -0.002 0.000 0.316 157 V C 0.114 176.028 176.094 -0.301 0.000 1.104 157 V CA -0.696 61.452 62.300 -0.253 0.000 1.006 157 V CB 2.012 33.749 31.823 -0.144 0.000 1.058 157 V HN 0.257 8.447 8.190 0.000 0.000 0.440 158 S N 0.189 115.678 115.700 -0.351 0.000 2.636 158 S HA 0.564 5.032 4.470 -0.002 0.000 0.268 158 S C -0.340 174.101 174.600 -0.264 0.000 1.159 158 S CA 0.030 58.086 58.200 -0.240 0.000 0.815 158 S CB 0.804 63.916 63.200 -0.147 0.000 1.130 158 S HN 1.753 10.063 8.310 0.000 0.000 0.471 159 S N 2.018 117.520 115.700 -0.329 0.000 2.544 159 S HA 0.270 4.738 4.470 -0.002 0.000 0.290 159 S C -1.534 172.893 174.600 -0.288 0.000 1.276 159 S CA -1.010 56.918 58.200 -0.453 0.000 1.075 159 S CB 0.189 62.776 63.200 -1.020 0.000 0.849 159 S HN 0.511 8.821 8.310 0.000 0.000 0.494 160 P HA -0.181 4.239 4.420 0.000 0.000 0.216 160 P C 1.424 178.654 177.300 -0.116 0.000 1.153 160 P CA 1.010 64.025 63.100 -0.142 0.000 0.858 160 P CB 0.112 31.737 31.700 -0.126 0.000 0.789 161 E N -1.290 118.803 120.200 -0.178 0.000 2.038 161 E HA -0.247 4.102 4.350 -0.002 0.000 0.195 161 E C 1.792 178.411 176.600 0.031 0.000 1.000 161 E CA 1.358 57.699 56.400 -0.099 0.000 0.803 161 E CB -0.466 29.137 29.700 -0.161 0.000 0.750 161 E HN 0.164 8.524 8.360 0.000 0.000 0.448 162 Y N 1.153 121.282 120.300 -0.283 0.000 2.145 162 Y HA -0.142 4.407 4.550 -0.002 0.000 0.286 162 Y C 2.771 178.633 175.900 -0.063 0.000 1.145 162 Y CA 1.562 59.437 58.100 -0.374 0.000 1.148 162 Y CB -1.216 36.744 38.460 -0.835 0.000 0.981 162 Y HN 0.117 8.397 8.280 0.000 0.000 0.507 163 T N 0.188 114.802 114.554 0.100 0.000 2.737 163 T HA -0.241 4.108 4.350 -0.002 0.000 0.269 163 T C 2.009 176.761 174.700 0.087 0.000 1.040 163 T CA 1.938 64.090 62.100 0.087 0.000 1.142 163 T CB -0.157 68.725 68.868 0.024 0.000 0.861 163 T HN 0.295 8.535 8.240 0.000 0.000 0.456 164 K N 0.914 121.357 120.400 0.073 0.000 2.062 164 K HA -0.039 4.280 4.320 -0.002 0.000 0.205 164 K C 2.195 178.854 176.600 0.099 0.000 1.051 164 K CA 1.015 57.342 56.287 0.066 0.000 0.941 164 K CB 0.010 32.535 32.500 0.042 0.000 0.719 164 K HN 0.217 8.467 8.250 0.000 0.000 0.440 165 K N 0.516 121.006 120.400 0.150 0.000 2.063 165 K HA -0.146 4.173 4.320 -0.002 0.000 0.208 165 K C 2.103 178.797 176.600 0.155 0.000 1.048 165 K CA 1.694 58.088 56.287 0.177 0.000 0.928 165 K CB -0.233 32.432 32.500 0.275 0.000 0.713 165 K HN 0.190 8.440 8.250 0.000 0.000 0.442 166 I N 1.579 122.254 120.570 0.175 0.000 2.179 166 I HA -0.261 3.908 4.170 -0.002 0.000 0.242 166 I C 3.012 179.176 176.117 0.079 0.000 1.088 166 I CA 1.897 63.264 61.300 0.112 0.000 1.357 166 I CB -0.621 37.441 38.000 0.103 0.000 1.051 166 I HN 0.326 8.536 8.210 0.000 0.000 0.409 167 E N 0.843 121.086 120.200 0.072 0.000 2.150 167 E HA -0.267 4.082 4.350 -0.002 0.000 0.193 167 E C 1.795 178.428 176.600 0.054 0.000 0.985 167 E CA 1.567 57.998 56.400 0.050 0.000 0.814 167 E CB -1.006 28.717 29.700 0.039 0.000 0.752 167 E HN 0.552 8.912 8.360 0.000 0.000 0.466 168 N N 0.301 119.041 118.700 0.067 0.000 2.058 168 N HA -0.060 4.679 4.740 -0.002 0.000 0.191 168 N C 1.769 177.333 175.510 0.090 0.000 1.037 168 N CA 1.610 54.702 53.050 0.069 0.000 0.848 168 N CB -0.336 38.194 38.487 0.073 0.000 1.021 168 N HN 0.440 8.820 8.380 0.000 0.000 0.422 169 L N -0.359 120.936 121.223 0.119 0.000 2.156 169 L HA -0.095 4.244 4.340 -0.002 0.000 0.208 169 L C 2.403 179.409 176.870 0.227 0.000 1.095 169 L CA 0.533 55.497 54.840 0.208 0.000 0.770 169 L CB -0.246 41.917 42.059 0.174 0.000 0.914 169 L HN 0.299 8.529 8.230 0.000 0.000 0.439 170 C N -0.415 118.961 119.300 0.126 0.000 2.466 170 C HA -0.058 4.401 4.460 -0.002 0.000 0.278 170 C C 3.109 178.117 174.990 0.030 0.000 1.288 170 C CA 0.592 59.659 59.018 0.082 0.000 1.722 170 C CB -0.968 26.800 27.740 0.046 0.000 2.017 170 C HN 0.601 8.831 8.230 0.000 0.000 0.488 171 A N 0.702 123.537 122.820 0.024 0.000 1.978 171 A HA 0.042 4.361 4.320 -0.002 0.000 0.220 171 A C 2.249 179.813 177.584 -0.034 0.000 1.170 171 A CA 1.905 53.940 52.037 -0.003 0.000 0.636 171 A CB -0.734 18.270 19.000 0.006 0.000 0.810 171 A HN 0.611 8.761 8.150 0.000 0.000 0.448 172 A N -1.916 120.885 122.820 -0.031 0.000 2.248 172 A HA 0.359 4.678 4.320 -0.002 0.000 0.210 172 A C 1.799 179.184 177.584 -0.333 0.000 1.174 172 A CA 1.430 53.394 52.037 -0.121 0.000 0.750 172 A CB -0.887 18.091 19.000 -0.037 0.000 0.780 172 A HN 1.900 10.050 8.150 0.000 0.000 0.478 173 G N -2.761 105.882 108.800 -0.262 0.000 2.168 173 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.197 173 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.197 173 G C -0.093 174.627 174.900 -0.301 0.000 0.997 173 G CA -0.120 44.806 45.100 -0.289 0.000 0.658 173 G HN 0.272 8.562 8.290 0.000 0.000 0.513 174 F N 1.477 121.422 119.950 -0.009 0.000 2.371 174 F HA 0.519 5.044 4.527 -0.002 0.000 0.329 174 F C 0.854 176.645 175.800 -0.015 0.000 1.107 174 F CA -0.850 57.143 58.000 -0.012 0.000 1.137 174 F CB 0.709 39.700 39.000 -0.016 0.000 1.214 174 F HN 0.101 8.401 8.300 0.000 0.000 0.536 175 D N 1.537 122.059 120.400 0.203 0.000 2.487 175 D HA -0.016 4.622 4.640 -0.002 0.000 0.243 175 D C 1.467 177.809 176.300 0.071 0.000 1.154 175 D CA 0.260 54.320 54.000 0.099 0.000 0.876 175 D CB 0.668 41.514 40.800 0.076 0.000 1.161 175 D HN 0.559 8.929 8.370 0.000 0.000 0.478 176 R N 3.147 123.670 120.500 0.037 0.000 2.103 176 R HA -0.219 4.120 4.340 -0.002 0.000 0.242 176 R C 1.173 177.458 176.300 -0.025 0.000 1.142 176 R CA 1.555 57.656 56.100 0.003 0.000 0.960 176 R CB -0.030 30.257 30.300 -0.023 0.000 0.858 176 R HN 0.522 8.792 8.270 0.000 0.000 0.439 177 N N 0.267 118.965 118.700 -0.002 0.000 2.216 177 N HA -0.100 4.639 4.740 -0.002 0.000 0.183 177 N C 1.546 177.042 175.510 -0.024 0.000 1.017 177 N CA 1.384 54.434 53.050 -0.001 0.000 0.861 177 N CB -0.372 38.137 38.487 0.036 0.000 0.986 177 N HN 0.314 8.694 8.380 0.000 0.000 0.428 178 A N 0.763 123.578 122.820 -0.009 0.000 1.902 178 A HA -0.091 4.227 4.320 -0.002 0.000 0.217 178 A C 2.473 180.007 177.584 -0.084 0.000 1.181 178 A CA 1.322 53.342 52.037 -0.028 0.000 0.623 178 A CB -0.767 18.227 19.000 -0.009 0.000 0.818 178 A HN 0.100 8.250 8.150 0.000 0.000 0.443 179 V N 0.110 119.975 119.914 -0.080 0.000 2.295 179 V HA -0.275 3.844 4.120 -0.002 0.000 0.246 179 V C 2.418 178.400 176.094 -0.188 0.000 1.049 179 V CA 2.072 64.296 62.300 -0.127 0.000 1.024 179 V CB -0.703 31.094 31.823 -0.043 0.000 0.648 179 V HN 0.579 8.769 8.190 0.000 0.000 0.447 180 I N -0.437 120.028 120.570 -0.175 0.000 2.208 180 I HA -0.227 3.942 4.170 -0.002 0.000 0.245 180 I C 2.365 178.358 176.117 -0.206 0.000 1.097 180 I CA 1.298 62.446 61.300 -0.254 0.000 1.363 180 I CB -0.389 37.401 38.000 -0.349 0.000 1.051 180 I HN 0.137 8.347 8.210 0.000 0.000 0.413 181 V N 0.767 120.638 119.914 -0.072 0.000 2.307 181 V HA -0.274 3.845 4.120 -0.002 0.000 0.245 181 V C 2.683 178.749 176.094 -0.046 0.000 1.045 181 V CA 1.958 64.316 62.300 0.097 0.000 1.024 181 V CB -0.949 30.956 31.823 0.137 0.000 0.651 181 V HN 0.491 8.681 8.190 0.000 0.000 0.449 182 A N -0.301 122.437 122.820 -0.137 0.000 1.865 182 A HA -0.198 4.121 4.320 -0.002 0.000 0.217 182 A C 2.234 179.629 177.584 -0.315 0.000 1.191 182 A CA 2.027 53.950 52.037 -0.190 0.000 0.623 182 A CB -0.624 18.243 19.000 -0.221 0.000 0.826 182 A HN 0.478 8.628 8.150 0.000 0.000 0.444 183 L N -0.408 120.524 121.223 -0.486 0.000 2.017 183 L HA -0.167 4.171 4.340 -0.002 0.000 0.208 183 L C 2.931 179.037 176.870 -1.274 0.000 1.073 183 L CA 1.537 55.872 54.840 -0.841 0.000 0.745 183 L CB -0.418 41.018 42.059 -1.037 0.000 0.894 183 L HN 0.365 8.595 8.230 0.000 0.000 0.432 184 S N -0.509 114.506 115.700 -1.142 0.000 2.370 184 S HA -0.177 4.292 4.470 -0.002 0.000 0.226 184 S C 2.077 176.432 174.600 -0.409 0.000 1.033 184 S CA 1.676 59.309 58.200 -0.946 0.000 1.011 184 S CB -0.245 62.474 63.200 -0.802 0.000 0.852 184 S HN 0.398 8.708 8.310 0.000 0.000 0.457 185 S N 0.993 116.614 115.700 -0.132 0.000 2.447 185 S HA 0.065 4.534 4.470 -0.002 0.000 0.233 185 S C 1.130 175.722 174.600 -0.013 0.000 1.006 185 S CA 0.796 59.043 58.200 0.078 0.000 0.957 185 S CB -0.025 63.233 63.200 0.096 0.000 0.773 185 S HN 0.282 8.592 8.310 0.000 0.000 0.507 186 K N 1.555 121.869 120.400 -0.143 0.000 2.681 186 K HA 0.377 4.696 4.320 -0.002 0.000 0.211 186 K C 0.221 176.768 176.600 -0.087 0.000 1.075 186 K CA -0.148 56.080 56.287 -0.099 0.000 1.141 186 K CB 0.024 32.455 32.500 -0.115 0.000 0.896 186 K HN 0.182 8.432 8.250 0.000 0.000 0.470 187 S N -0.198 115.467 115.700 -0.058 0.000 3.521 187 S HA -0.186 4.283 4.470 -0.002 0.000 0.328 187 S C -0.269 174.427 174.600 0.161 0.000 1.165 187 S CA 0.962 59.217 58.200 0.091 0.000 0.941 187 S CB -1.917 61.351 63.200 0.113 0.000 0.951 187 S HN 0.713 9.023 8.310 0.000 0.000 0.539 188 W N -1.078 120.155 121.300 -0.112 0.000 3.105 188 W HA -0.196 4.463 4.660 -0.002 0.000 0.308 188 W C 0.106 176.588 176.519 -0.061 0.000 1.182 188 W CA 0.537 57.790 57.345 -0.154 0.000 0.612 188 W CB -1.785 27.520 29.460 -0.257 0.000 2.238 188 W HN 0.573 8.753 8.180 0.000 0.000 1.307 189 D N 0.154 120.583 120.400 0.048 0.000 2.365 189 D HA 0.358 4.997 4.640 -0.002 0.000 0.237 189 D C 0.979 177.281 176.300 0.004 0.000 1.190 189 D CA 0.092 54.117 54.000 0.042 0.000 0.867 189 D CB 1.220 42.032 40.800 0.020 0.000 1.050 189 D HN -0.098 8.272 8.370 0.000 0.000 0.491 190 V N 4.009 123.943 119.914 0.034 0.000 2.392 190 V HA -0.189 3.930 4.120 -0.002 0.000 0.249 190 V C 2.266 178.357 176.094 -0.006 0.000 1.059 190 V CA 1.567 63.876 62.300 0.016 0.000 1.051 190 V CB -0.448 31.404 31.823 0.049 0.000 0.658 190 V HN 0.673 8.863 8.190 0.000 0.000 0.455 191 E N 0.579 120.782 120.200 0.004 0.000 2.028 191 E HA -0.176 4.173 4.350 -0.002 0.000 0.190 191 E C 2.477 179.066 176.600 -0.019 0.000 0.984 191 E CA 1.993 58.394 56.400 0.002 0.000 0.800 191 E CB -0.205 29.503 29.700 0.013 0.000 0.758 191 E HN 0.746 9.106 8.360 0.000 0.000 0.448 192 T N -1.414 113.126 114.554 -0.024 0.000 2.985 192 T HA 0.137 4.486 4.350 -0.002 0.000 0.266 192 T C 1.990 176.646 174.700 -0.073 0.000 1.076 192 T CA 1.131 63.209 62.100 -0.038 0.000 1.135 192 T CB -0.061 68.792 68.868 -0.025 0.000 0.890 192 T HN 0.145 8.385 8.240 0.000 0.000 0.480 193 A N 1.886 124.647 122.820 -0.097 0.000 1.877 193 A HA -0.044 4.275 4.320 -0.002 0.000 0.216 193 A C 2.628 180.099 177.584 -0.189 0.000 1.186 193 A CA 2.240 54.183 52.037 -0.156 0.000 0.620 193 A CB -1.512 17.378 19.000 -0.183 0.000 0.822 193 A HN 0.561 8.711 8.150 0.000 0.000 0.443 194 T N -0.608 113.858 114.554 -0.147 0.000 2.777 194 T HA -0.112 4.237 4.350 -0.002 0.000 0.266 194 T C 1.895 176.512 174.700 -0.139 0.000 1.040 194 T CA 1.614 63.612 62.100 -0.170 0.000 1.141 194 T CB -0.249 68.599 68.868 -0.033 0.000 0.868 194 T HN 0.577 8.817 8.240 0.000 0.000 0.444 195 E N 1.081 121.236 120.200 -0.074 0.000 2.085 195 E HA -0.127 4.222 4.350 -0.002 0.000 0.194 195 E C 1.960 178.519 176.600 -0.069 0.000 0.994 195 E CA 0.753 57.124 56.400 -0.048 0.000 0.801 195 E CB -0.551 29.133 29.700 -0.027 0.000 0.743 195 E HN 0.343 8.703 8.360 0.000 0.000 0.453 196 L N 0.030 121.195 121.223 -0.096 0.000 2.046 196 L HA -0.084 4.255 4.340 -0.002 0.000 0.208 196 L C 2.066 178.853 176.870 -0.138 0.000 1.077 196 L CA 1.650 56.431 54.840 -0.098 0.000 0.747 196 L CB -0.561 41.438 42.059 -0.100 0.000 0.896 196 L HN 0.261 8.491 8.230 0.000 0.000 0.432 197 L N -1.065 120.006 121.223 -0.253 0.000 2.083 197 L HA -0.201 4.138 4.340 -0.002 0.000 0.209 197 L C 2.346 179.092 176.870 -0.207 0.000 1.083 197 L CA 1.062 55.668 54.840 -0.391 0.000 0.752 197 L CB -0.455 41.018 42.059 -0.977 0.000 0.899 197 L HN 0.287 8.517 8.230 0.000 0.000 0.433 198 L N -1.191 119.970 121.223 -0.104 0.000 2.552 198 L HA -0.055 4.284 4.340 -0.002 0.000 0.227 198 L C 2.018 178.909 176.870 0.036 0.000 1.146 198 L CA 0.278 55.152 54.840 0.057 0.000 0.858 198 L CB -0.203 41.906 42.059 0.083 0.000 0.969 198 L HN 0.137 8.367 8.230 0.000 0.000 0.451 199 S N -0.487 115.212 115.700 -0.002 0.000 2.593 199 S HA 0.028 4.497 4.470 -0.002 0.000 0.217 199 S C 0.665 175.272 174.600 0.011 0.000 0.966 199 S CA -0.247 57.956 58.200 0.005 0.000 0.914 199 S CB -0.469 62.726 63.200 -0.008 0.000 0.776 199 S HN 0.572 8.882 8.310 0.000 0.000 0.523 200 N N 0.000 118.710 118.700 0.016 0.000 1.763 200 N HA 0.000 4.739 4.740 -0.002 0.000 0.220 200 N CA 0.000 53.066 53.050 0.027 0.000 0.885 200 N CB 0.000 38.505 38.487 0.029 0.000 1.341 200 N HN 0.000 8.380 8.380 0.000 0.000 0.667