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 2kgl_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADTPGEATPP PRKKKDIRDY NDADMARLLE QWEKDDDIEE GDLPEHKRPS DATA SEQUENCE APIDFSKLDP GKPESILKMT KKGKTLMMFV TVSGNPTEKE TEEITSLWQG DATA SEQUENCE SLFNANYDVQ RFIVGSDRAI FMLRDGSYAW EIKDFLVSQD RCAEVTLEGQ DATA SEQUENCE MYPGKGGGSK EKNKTKPEKA KKKEGDPKPR ASKEDNRAGS RREDL 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 A HA 0.000 4.308 4.320 -0.020 0.000 0.244 1 A C 0.000 177.558 177.584 -0.043 0.000 1.274 1 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 1 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 2 D N 1.807 122.175 120.400 -0.054 0.000 2.192 2 D HA 0.292 4.861 4.640 -0.119 0.000 0.246 2 D C -0.728 175.515 176.300 -0.096 0.000 1.042 2 D CA -0.207 53.740 54.000 -0.089 0.000 0.847 2 D CB 1.647 42.400 40.800 -0.079 0.000 1.186 2 D HN 0.017 8.362 8.370 -0.042 0.000 0.461 3 T N 0.739 115.211 114.554 -0.136 0.000 2.918 3 T HA 0.387 4.682 4.350 -0.091 0.000 0.286 3 T C -1.583 173.033 174.700 -0.139 0.000 1.026 3 T CA -3.426 58.600 62.100 -0.124 0.000 1.031 3 T CB 1.060 69.852 68.868 -0.128 0.000 1.046 3 T HN -0.038 8.092 8.240 -0.184 0.000 0.479 4 P HA 0.063 4.425 4.420 -0.096 0.000 0.274 4 P C -1.052 176.175 177.300 -0.121 0.000 1.260 4 P CA -0.393 62.647 63.100 -0.100 0.000 0.793 4 P CB 0.521 32.178 31.700 -0.071 0.000 1.048 5 G N -1.385 107.353 108.800 -0.104 0.000 2.020 5 G HA2 0.267 4.157 3.960 -0.117 0.000 0.304 5 G HA3 0.267 4.144 3.960 -0.139 0.000 0.304 5 G C -1.038 173.818 174.900 -0.074 0.000 1.500 5 G CA 0.109 45.143 45.100 -0.111 0.000 1.120 5 G HN 0.360 8.600 8.290 -0.084 0.000 0.555 6 E N 2.113 122.281 120.200 -0.053 0.000 1.637 6 E HA -0.052 4.286 4.350 -0.021 0.000 0.219 6 E C -0.134 176.460 176.600 -0.010 0.000 1.053 6 E CA 0.452 56.836 56.400 -0.027 0.000 1.275 6 E CB 0.606 30.291 29.700 -0.026 0.000 4.322 6 E HN 0.224 8.550 8.360 -0.057 0.000 0.847 7 A N 1.351 124.162 122.820 -0.016 0.000 3.218 7 A HA 0.408 4.733 4.320 0.007 0.000 0.321 7 A C -0.571 177.012 177.584 -0.001 0.000 1.012 7 A CA -0.170 51.865 52.037 -0.003 0.000 0.948 7 A CB -0.241 18.755 19.000 -0.007 0.000 1.050 7 A HN -0.312 7.820 8.150 -0.029 0.000 0.492 8 T N 2.973 117.534 114.554 0.013 0.000 2.930 8 T HA 0.086 4.427 4.350 -0.016 0.000 0.306 8 T C -0.696 174.028 174.700 0.040 0.000 1.045 8 T CA -1.667 60.445 62.100 0.020 0.000 1.134 8 T CB 1.039 69.943 68.868 0.061 0.000 0.961 8 T HN -0.410 7.845 8.240 0.025 0.000 0.545 9 P HA 0.243 4.679 4.420 0.026 0.000 0.273 9 P C -1.725 175.606 177.300 0.052 0.000 1.250 9 P CA -1.370 61.748 63.100 0.031 0.000 0.793 9 P CB -1.124 30.587 31.700 0.019 0.000 1.011 10 P HA 0.200 4.640 4.420 0.033 0.000 0.273 10 P C -1.738 175.589 177.300 0.046 0.000 1.250 10 P CA -1.601 61.521 63.100 0.036 0.000 0.793 10 P CB -1.055 30.660 31.700 0.024 0.000 1.011 11 P HA 0.032 4.490 4.420 0.064 0.000 0.252 11 P C -0.908 176.420 177.300 0.047 0.000 1.694 11 P CA -0.063 63.062 63.100 0.043 0.000 1.163 11 P CB -0.988 30.722 31.700 0.016 0.000 1.934 12 R N 1.881 122.419 120.500 0.063 0.000 2.055 12 R HA -0.217 4.152 4.340 0.048 0.000 0.228 12 R C 0.526 176.869 176.300 0.073 0.000 1.143 12 R CA 2.368 58.508 56.100 0.067 0.000 0.945 12 R CB 0.448 30.800 30.300 0.086 0.000 0.841 12 R HN 0.332 8.613 8.270 0.069 0.031 0.429 13 K N -4.853 115.614 120.400 0.111 0.000 2.929 13 K HA 0.005 4.363 4.320 0.063 0.000 0.188 13 K C 1.105 177.799 176.600 0.155 0.000 1.654 13 K CA 0.889 57.243 56.287 0.112 0.000 1.349 13 K CB 1.266 33.837 32.500 0.118 0.000 1.879 13 K HN 0.054 8.385 8.250 0.135 0.000 0.626 14 K N -0.426 120.113 120.400 0.232 0.000 2.113 14 K HA -0.293 4.491 4.320 0.334 -0.264 0.208 14 K C 0.275 176.984 176.600 0.180 0.000 1.047 14 K CA 2.296 58.729 56.287 0.242 0.000 0.928 14 K CB -0.372 32.172 32.500 0.073 0.000 0.716 14 K HN 0.111 8.514 8.250 0.254 0.000 0.446 15 K N -3.428 117.058 120.400 0.144 0.000 2.965 15 K HA 0.078 4.496 4.320 0.163 0.000 0.216 15 K C -1.188 175.468 176.600 0.094 0.000 1.164 15 K CA -0.657 55.706 56.287 0.127 0.000 1.153 15 K CB -1.488 31.063 32.500 0.084 0.000 1.045 15 K HN -0.202 8.107 8.250 0.126 0.017 0.460 16 D N -0.649 119.797 120.400 0.078 0.000 2.753 16 D HA 0.141 4.785 4.640 0.007 0.000 0.291 16 D C -0.657 175.588 176.300 -0.092 0.000 1.075 16 D CA 0.639 54.634 54.000 -0.007 0.000 0.946 16 D CB 3.540 44.319 40.800 -0.036 0.000 1.376 16 D HN -0.187 8.161 8.370 0.097 0.080 0.482 17 I N -2.052 118.502 120.570 -0.026 0.000 8.192 17 I HA -0.390 3.780 4.170 -0.000 0.000 0.126 17 I C -0.911 175.094 176.117 -0.185 0.000 1.847 17 I CA 0.107 61.380 61.300 -0.046 0.000 2.049 17 I CB -1.063 36.980 38.000 0.071 0.000 3.776 17 I HN -0.668 7.559 8.210 0.027 0.000 0.173 18 R N 7.052 127.479 120.500 -0.122 0.000 2.480 18 R HA -0.349 3.891 4.340 -0.167 0.000 0.303 18 R C 0.158 176.372 176.300 -0.144 0.000 0.985 18 R CA 1.646 57.665 56.100 -0.135 0.000 1.051 18 R CB 0.102 30.355 30.300 -0.079 0.000 0.935 18 R HN 0.371 8.601 8.270 -0.067 0.000 0.410 19 D N 3.023 123.319 120.400 -0.174 0.000 3.059 19 D HA -0.361 4.231 4.640 -0.080 0.000 0.220 19 D C -0.998 175.277 176.300 -0.040 0.000 1.169 19 D CA 1.927 55.868 54.000 -0.098 0.000 0.902 19 D CB -0.540 40.225 40.800 -0.059 0.000 1.116 19 D HN 0.712 8.955 8.370 -0.212 0.000 0.417 20 Y N -5.768 114.478 120.300 -0.090 0.000 3.721 20 Y HA -0.410 4.126 4.550 -0.108 -0.051 0.218 20 Y C -2.114 173.550 175.900 -0.393 0.000 1.188 20 Y CA 1.333 59.337 58.100 -0.160 0.000 1.607 20 Y CB -2.850 35.565 38.460 -0.076 0.000 1.496 20 Y HN 0.309 8.226 8.280 -0.339 0.160 0.626 21 N N -4.462 114.123 118.700 -0.192 0.000 2.416 21 N HA -0.077 4.410 4.740 -0.421 0.000 0.326 21 N C 0.238 175.653 175.510 -0.158 0.000 0.742 21 N CA 0.560 53.433 53.050 -0.295 0.000 0.558 21 N CB 1.745 40.033 38.487 -0.332 0.000 2.406 21 N HN -0.589 7.688 8.380 -0.126 0.028 1.113 22 D N 2.266 122.603 120.400 -0.106 0.000 2.265 22 D HA -0.271 4.332 4.640 -0.062 0.000 0.208 22 D C 0.953 177.218 176.300 -0.058 0.000 0.977 22 D CA 2.965 56.923 54.000 -0.071 0.000 0.871 22 D CB 0.191 40.955 40.800 -0.060 0.000 0.925 22 D HN -0.165 8.143 8.370 -0.104 0.000 0.485 23 A N -0.515 122.268 122.820 -0.062 0.000 1.892 23 A HA -0.492 3.816 4.320 -0.021 0.000 0.218 23 A C 1.309 178.883 177.584 -0.017 0.000 1.188 23 A CA 3.305 55.325 52.037 -0.029 0.000 0.631 23 A CB -0.763 18.232 19.000 -0.010 0.000 0.822 23 A HN -0.500 7.553 8.150 -0.082 0.048 0.447 24 D N -2.570 117.809 120.400 -0.035 0.000 2.158 24 D HA -0.337 4.303 4.640 -0.001 0.000 0.197 24 D C 2.151 178.446 176.300 -0.008 0.000 0.995 24 D CA 2.809 56.798 54.000 -0.019 0.000 0.846 24 D CB -0.543 40.234 40.800 -0.038 0.000 0.941 24 D HN -0.440 7.890 8.370 -0.065 0.000 0.456 25 M N -0.234 119.355 119.600 -0.018 0.000 2.086 25 M HA -0.380 4.098 4.480 -0.003 0.000 0.261 25 M C 1.858 178.154 176.300 -0.007 0.000 1.067 25 M CA 3.395 58.687 55.300 -0.012 0.000 1.116 25 M CB -0.204 32.383 32.600 -0.022 0.000 1.348 25 M HN -0.447 7.704 8.290 -0.032 0.120 0.407 26 A N -2.571 120.243 122.820 -0.011 0.000 1.986 26 A HA -0.326 3.982 4.320 -0.021 0.000 0.220 26 A C 2.365 179.953 177.584 0.007 0.000 1.171 26 A CA 2.997 55.028 52.037 -0.010 0.000 0.640 26 A CB -1.125 17.868 19.000 -0.011 0.000 0.811 26 A HN 0.296 8.359 8.150 -0.017 0.076 0.451 27 R N -1.757 118.754 120.500 0.019 0.000 2.096 27 R HA -0.271 4.092 4.340 0.039 0.000 0.235 27 R C 2.300 178.629 176.300 0.048 0.000 1.127 27 R CA 2.432 58.553 56.100 0.035 0.000 0.968 27 R CB -0.202 30.119 30.300 0.036 0.000 0.861 27 R HN -0.520 7.615 8.270 0.014 0.144 0.440 28 L N -1.914 119.337 121.223 0.047 0.000 2.129 28 L HA -0.278 4.119 4.340 0.095 0.000 0.212 28 L C 1.079 178.013 176.870 0.106 0.000 1.087 28 L CA 3.215 58.103 54.840 0.079 0.000 0.757 28 L CB -1.068 41.030 42.059 0.064 0.000 0.896 28 L HN -0.136 7.997 8.230 0.031 0.116 0.434 29 L N -2.579 118.674 121.223 0.049 0.000 2.083 29 L HA -0.396 3.941 4.340 -0.005 0.000 0.209 29 L C 1.886 178.813 176.870 0.096 0.000 1.083 29 L CA 2.781 57.639 54.840 0.030 0.000 0.752 29 L CB -0.282 41.764 42.059 -0.021 0.000 0.899 29 L HN -0.630 7.482 8.230 0.025 0.133 0.433 30 E N -2.336 117.915 120.200 0.086 0.000 2.204 30 E HA -0.300 4.101 4.350 0.085 0.000 0.194 30 E C 2.257 178.933 176.600 0.127 0.000 0.989 30 E CA 2.498 58.953 56.400 0.091 0.000 0.824 30 E CB -0.685 29.054 29.700 0.064 0.000 0.756 30 E HN -0.331 7.941 8.360 0.066 0.127 0.477 31 Q N 0.093 119.983 119.800 0.150 0.000 2.077 31 Q HA -0.283 4.107 4.340 0.083 0.000 0.206 31 Q C 2.047 178.144 176.000 0.162 0.000 0.989 31 Q CA 3.600 59.488 55.803 0.142 0.000 0.853 31 Q CB -0.228 28.607 28.738 0.162 0.000 0.907 31 Q HN -0.721 7.496 8.270 0.143 0.139 0.418 32 W N -2.290 119.009 121.300 -0.001 0.000 2.321 32 W HA -0.316 4.343 4.660 -0.001 0.000 0.306 32 W C 2.153 178.671 176.519 -0.001 0.000 1.217 32 W CA 2.826 60.170 57.345 -0.002 0.000 1.257 32 W CB -0.186 29.272 29.460 -0.003 0.000 1.145 32 W HN -0.513 7.979 8.180 0.519 0.000 0.509 33 E N -3.154 117.170 120.200 0.207 0.000 2.152 33 E HA -0.296 4.120 4.350 0.111 0.000 0.192 33 E C 2.072 178.703 176.600 0.050 0.000 0.983 33 E CA 3.019 59.485 56.400 0.110 0.000 0.818 33 E CB -0.237 29.518 29.700 0.093 0.000 0.758 33 E HN -0.658 7.745 8.360 0.237 0.099 0.467 34 K N -1.064 119.362 120.400 0.043 0.000 2.288 34 K HA -0.175 4.156 4.320 0.017 0.000 0.201 34 K C 1.946 178.531 176.600 -0.024 0.000 1.048 34 K CA 2.102 58.397 56.287 0.013 0.000 0.956 34 K CB -0.740 31.771 32.500 0.020 0.000 0.746 34 K HN -0.283 7.886 8.250 0.070 0.124 0.461 35 D N -0.808 119.555 120.400 -0.062 0.000 2.123 35 D HA -0.184 4.385 4.640 -0.118 0.000 0.196 35 D C 1.181 177.433 176.300 -0.079 0.000 0.992 35 D CA 2.897 56.826 54.000 -0.119 0.000 0.833 35 D CB 0.095 40.750 40.800 -0.243 0.000 0.954 35 D HN -0.347 7.833 8.370 -0.051 0.160 0.455 36 D N -2.677 117.693 120.400 -0.050 0.000 2.259 36 D HA -0.036 4.581 4.640 -0.039 0.000 0.216 36 D C 1.198 177.489 176.300 -0.015 0.000 0.961 36 D CA 1.526 55.508 54.000 -0.030 0.000 0.878 36 D CB 0.951 41.742 40.800 -0.015 0.000 1.009 36 D HN -0.571 7.775 8.370 -0.040 0.000 0.490 37 D N -0.970 119.428 120.400 -0.004 0.000 2.083 37 D HA -0.138 4.505 4.640 0.004 0.000 0.199 37 D C 0.727 177.027 176.300 -0.001 0.000 0.980 37 D CA 1.555 55.558 54.000 0.004 0.000 0.851 37 D CB 0.668 41.476 40.800 0.014 0.000 0.997 37 D HN -0.490 7.879 8.370 -0.002 0.000 0.449 38 I N -2.253 118.316 120.570 -0.001 0.000 7.265 38 I HA -0.341 3.849 4.170 -0.004 -0.022 0.126 38 I C -0.574 175.547 176.117 0.005 0.000 1.836 38 I CA -0.032 61.267 61.300 -0.003 0.000 2.040 38 I CB -1.206 36.786 38.000 -0.012 0.000 3.621 38 I HN -0.479 7.645 8.210 0.001 0.087 0.170 39 E N 5.816 126.024 120.200 0.013 0.000 2.021 39 E HA -0.089 4.271 4.350 0.017 0.000 0.191 39 E C -0.272 176.338 176.600 0.018 0.000 0.971 39 E CA 1.431 57.843 56.400 0.019 0.000 0.825 39 E CB 1.429 31.146 29.700 0.028 0.000 0.788 39 E HN 0.250 8.619 8.360 0.015 0.000 0.460 40 E N -5.707 114.506 120.200 0.021 0.000 2.315 40 E HA 0.088 4.447 4.350 0.014 0.000 0.256 40 E C -1.697 174.915 176.600 0.020 0.000 1.148 40 E CA -0.748 55.664 56.400 0.020 0.000 0.898 40 E CB 2.873 32.590 29.700 0.028 0.000 1.708 40 E HN -0.279 8.096 8.360 0.024 0.000 0.473 41 G N -1.834 106.978 108.800 0.021 0.000 4.278 41 G HA2 -0.223 3.751 3.960 0.024 0.000 0.160 41 G HA3 -0.223 3.745 3.960 0.014 0.000 0.160 41 G C -2.492 172.418 174.900 0.017 0.000 2.002 41 G CA -0.017 45.094 45.100 0.019 0.000 1.013 41 G HN 0.059 8.362 8.290 0.022 0.000 0.315 42 D N 0.425 120.829 120.400 0.007 0.000 2.520 42 D HA -0.097 4.542 4.640 -0.002 0.000 0.243 42 D C -0.358 175.948 176.300 0.010 0.000 1.160 42 D CA 1.753 55.752 54.000 -0.000 0.000 0.877 42 D CB 0.180 40.971 40.800 -0.014 0.000 1.150 42 D HN -0.071 8.301 8.370 0.003 0.000 0.494 43 L N 6.110 127.343 121.223 0.018 0.000 2.309 43 L HA 0.446 4.800 4.340 0.024 0.000 0.261 43 L C -1.987 174.899 176.870 0.026 0.000 1.021 43 L CA -3.113 51.745 54.840 0.029 0.000 0.823 43 L CB 2.881 44.967 42.059 0.045 0.000 1.366 43 L HN -0.245 7.996 8.230 0.019 0.000 0.423 44 P HA 0.048 4.476 4.420 0.014 0.000 0.269 44 P C -0.766 176.562 177.300 0.047 0.000 1.252 44 P CA 0.370 63.486 63.100 0.026 0.000 0.780 44 P CB -0.094 31.619 31.700 0.022 0.000 0.829 45 E N 4.173 124.408 120.200 0.059 0.000 4.220 45 E HA -0.328 4.107 4.350 0.142 0.000 0.160 45 E C -0.380 176.329 176.600 0.182 0.000 1.630 45 E CA 0.330 56.799 56.400 0.116 0.000 0.960 45 E CB -0.352 29.392 29.700 0.074 0.000 1.061 45 E HN 0.435 8.813 8.360 0.031 0.000 0.360 46 H N -0.114 118.955 119.070 -0.000 0.000 2.545 46 H HA -0.144 4.410 4.556 -0.004 0.000 0.282 46 H C 0.890 176.216 175.328 -0.004 0.000 1.020 46 H CA 0.583 56.629 56.048 -0.004 0.000 1.243 46 H CB 0.034 29.792 29.762 -0.007 0.000 1.377 46 H HN 0.231 8.744 8.280 0.387 0.000 0.581 47 K N 0.837 121.209 120.400 -0.046 0.000 1.969 47 K HA -0.344 3.738 4.320 -0.397 0.000 0.223 47 K C 0.364 176.901 176.600 -0.106 0.000 1.048 47 K CA 2.538 58.717 56.287 -0.179 0.000 0.983 47 K CB -0.235 32.246 32.500 -0.032 0.000 0.738 47 K HN -0.142 8.206 8.250 0.277 0.069 0.446 48 R N -4.178 116.302 120.500 -0.032 0.000 2.728 48 R HA -0.176 4.161 4.340 -0.006 0.000 0.283 48 R C -2.573 173.710 176.300 -0.030 0.000 0.956 48 R CA -0.344 55.745 56.100 -0.019 0.000 0.785 48 R CB -1.073 29.222 30.300 -0.008 0.000 2.035 48 R HN 0.230 8.497 8.270 -0.005 0.000 0.510 49 P HA 0.139 4.693 4.420 -0.021 -0.147 0.271 49 P C -0.609 176.682 177.300 -0.016 0.000 1.226 49 P CA -0.339 62.748 63.100 -0.022 0.000 0.765 49 P CB 0.265 31.950 31.700 -0.024 0.000 0.835 50 S N 5.080 120.776 115.700 -0.008 0.000 2.681 50 S HA 0.224 4.688 4.470 -0.010 0.000 0.299 50 S C -1.432 173.168 174.600 0.000 0.000 1.113 50 S CA -1.068 57.130 58.200 -0.003 0.000 1.013 50 S CB 1.821 65.025 63.200 0.006 0.000 1.076 50 S HN -0.227 8.258 8.310 -0.003 -0.177 0.534 51 A N -0.350 122.467 122.820 -0.006 0.000 2.479 51 A HA 0.480 4.804 4.320 0.007 0.000 0.296 51 A C -2.539 175.045 177.584 0.000 0.000 1.121 51 A CA -2.558 49.475 52.037 -0.006 0.000 0.743 51 A CB 1.443 20.426 19.000 -0.028 0.000 1.323 51 A HN 0.039 8.182 8.150 -0.011 0.000 0.415 52 P HA 0.119 4.720 4.420 0.035 -0.160 0.264 52 P C -1.027 176.279 177.300 0.009 0.000 1.537 52 P CA 0.142 63.254 63.100 0.019 0.000 1.189 52 P CB -1.588 30.119 31.700 0.013 0.000 1.687 53 I N -0.934 119.630 120.570 -0.010 0.000 3.813 53 I HA 0.328 4.476 4.170 -0.037 0.000 0.323 53 I C -0.874 175.179 176.117 -0.106 0.000 1.536 53 I CA -2.039 59.229 61.300 -0.053 0.000 1.083 53 I CB -0.048 37.904 38.000 -0.080 0.000 1.265 53 I HN -0.428 7.780 8.210 -0.004 0.000 0.507 54 D N 1.101 121.476 120.400 -0.043 0.000 2.344 54 D HA 0.127 4.645 4.640 -0.202 0.000 0.244 54 D C 1.072 177.333 176.300 -0.065 0.000 1.134 54 D CA -1.277 52.681 54.000 -0.070 0.000 0.930 54 D CB 0.647 41.495 40.800 0.080 0.000 1.175 54 D HN -0.677 7.708 8.370 0.024 0.000 0.437 55 F N 2.020 122.012 119.950 0.071 0.000 2.000 55 F HA -0.340 4.218 4.527 0.051 0.000 0.296 55 F C 0.732 176.541 175.800 0.015 0.000 1.159 55 F CA 2.383 60.409 58.000 0.044 0.000 1.183 55 F CB 0.127 39.146 39.000 0.032 0.000 0.959 55 F HN 0.219 8.440 8.300 -0.132 0.000 0.490 56 S N -2.517 113.301 115.700 0.197 0.000 3.625 56 S HA -0.289 4.315 4.470 -0.074 -0.179 0.426 56 S C -0.855 173.750 174.600 0.009 0.000 0.884 56 S CA 0.694 58.898 58.200 0.007 0.000 1.322 56 S CB -1.072 62.104 63.200 -0.039 0.000 0.905 56 S HN 0.101 8.571 8.310 0.265 0.000 0.586 57 K N 0.399 120.804 120.400 0.009 0.000 3.017 57 K HA 0.106 4.415 4.320 -0.017 0.000 0.178 57 K C -1.357 175.220 176.600 -0.039 0.000 1.103 57 K CA -0.090 56.196 56.287 -0.003 0.000 1.084 57 K CB 0.491 33.017 32.500 0.044 0.000 0.711 57 K HN 0.126 8.381 8.250 0.008 0.000 0.416 58 L N -0.994 120.188 121.223 -0.068 0.000 2.194 58 L HA 0.025 4.316 4.340 -0.083 0.000 0.197 58 L C 0.076 176.901 176.870 -0.074 0.000 1.106 58 L CA 1.919 56.709 54.840 -0.083 0.000 0.785 58 L CB -0.151 41.845 42.059 -0.106 0.000 0.960 58 L HN -0.073 8.110 8.230 -0.078 0.000 0.465 59 D N -1.696 118.655 120.400 -0.082 0.000 2.340 59 D HA 0.338 4.943 4.640 -0.058 0.000 0.251 59 D C -1.606 174.659 176.300 -0.058 0.000 1.080 59 D CA -1.827 52.133 54.000 -0.068 0.000 0.971 59 D CB 0.493 41.249 40.800 -0.073 0.000 1.137 59 D HN -0.352 7.959 8.370 -0.099 0.000 0.475 60 P HA -0.134 4.270 4.420 -0.026 0.000 0.252 60 P C -0.288 176.996 177.300 -0.028 0.000 1.694 60 P CA -0.175 62.908 63.100 -0.029 0.000 1.163 60 P CB -1.001 30.686 31.700 -0.021 0.000 1.934 61 G N 5.268 114.047 108.800 -0.036 0.000 3.035 61 G HA2 -0.341 3.610 3.960 -0.014 0.000 0.242 61 G HA3 -0.341 3.613 3.960 -0.011 0.000 0.242 61 G C -1.859 173.000 174.900 -0.068 0.000 1.524 61 G CA -0.285 44.798 45.100 -0.029 0.000 1.038 61 G HN 0.353 8.587 8.290 -0.044 0.030 0.561 62 K N 0.513 120.887 120.400 -0.043 0.000 2.703 62 K HA 0.254 4.514 4.320 -0.100 0.000 0.285 62 K C -2.981 173.611 176.600 -0.014 0.000 1.014 62 K CA -1.430 54.819 56.287 -0.062 0.000 0.858 62 K CB 0.406 32.859 32.500 -0.078 0.000 1.467 62 K HN -0.041 8.198 8.250 -0.018 0.000 0.383 63 P HA 0.097 4.518 4.420 0.001 0.000 0.272 63 P C -0.566 176.747 177.300 0.022 0.000 1.240 63 P CA -0.441 62.660 63.100 0.003 0.000 0.791 63 P CB 0.822 32.521 31.700 -0.001 0.000 0.978 64 E N -0.634 119.578 120.200 0.019 0.000 2.285 64 E HA -0.194 4.173 4.350 0.029 0.000 0.194 64 E C 1.771 178.384 176.600 0.021 0.000 0.997 64 E CA 2.316 58.730 56.400 0.022 0.000 0.845 64 E CB -0.212 29.498 29.700 0.016 0.000 0.782 64 E HN 0.433 8.801 8.360 0.014 0.000 0.491 65 S N -0.079 115.633 115.700 0.019 0.000 2.387 65 S HA -0.345 4.135 4.470 0.016 0.000 0.230 65 S C 1.520 176.128 174.600 0.013 0.000 1.035 65 S CA 3.982 62.191 58.200 0.016 0.000 1.014 65 S CB -0.434 62.777 63.200 0.018 0.000 0.836 65 S HN 0.174 8.464 8.310 0.017 0.031 0.466 66 I N 0.480 121.063 120.570 0.022 0.000 2.423 66 I HA -0.448 3.723 4.170 0.002 0.000 0.254 66 I C 1.652 177.781 176.117 0.019 0.000 1.151 66 I CA 2.924 64.242 61.300 0.030 0.000 1.421 66 I CB -0.402 37.661 38.000 0.106 0.000 1.079 66 I HN -0.592 7.622 8.210 0.027 0.012 0.431 67 L N -1.647 119.589 121.223 0.021 0.000 2.079 67 L HA -0.450 3.890 4.340 0.000 0.000 0.210 67 L C 1.436 178.302 176.870 -0.007 0.000 1.081 67 L CA 2.764 57.607 54.840 0.006 0.000 0.752 67 L CB -1.163 40.903 42.059 0.010 0.000 0.896 67 L HN 0.063 8.152 8.230 0.028 0.158 0.433 68 K N -2.021 118.378 120.400 -0.003 0.000 2.209 68 K HA -0.292 4.150 4.320 -0.006 -0.126 0.204 68 K C 1.904 178.495 176.600 -0.015 0.000 1.048 68 K CA 2.190 58.474 56.287 -0.006 0.000 0.940 68 K CB -0.364 32.138 32.500 0.002 0.000 0.729 68 K HN -0.492 7.649 8.250 0.004 0.112 0.451 69 M N -2.528 117.059 119.600 -0.022 0.000 2.106 69 M HA -0.268 4.195 4.480 -0.028 0.000 0.259 69 M C -0.164 176.110 176.300 -0.045 0.000 1.068 69 M CA 2.920 58.198 55.300 -0.036 0.000 1.100 69 M CB 0.573 33.142 32.600 -0.051 0.000 1.351 69 M HN -0.429 7.691 8.290 -0.017 0.160 0.404 70 T N -1.505 113.019 114.554 -0.050 0.000 3.886 70 T HA -0.308 4.007 4.350 -0.059 0.000 0.371 70 T C -1.195 173.456 174.700 -0.081 0.000 0.760 70 T CA 1.043 63.108 62.100 -0.058 0.000 1.966 70 T CB -2.442 66.400 68.868 -0.045 0.000 1.793 70 T HN -0.461 7.747 8.240 -0.045 0.004 0.798 71 K N -2.621 117.717 120.400 -0.103 0.000 6.536 71 K HA -0.397 3.833 4.320 -0.150 0.000 0.703 71 K C -0.980 175.551 176.600 -0.115 0.000 1.892 71 K CA 1.291 57.499 56.287 -0.132 0.000 1.651 71 K CB -0.306 32.099 32.500 -0.158 0.000 1.852 71 K HN 0.111 8.300 8.250 -0.102 0.000 0.324 72 K N 2.817 123.153 120.400 -0.107 0.000 1.969 72 K HA -0.203 4.078 4.320 -0.065 0.000 0.216 72 K C 0.672 177.221 176.600 -0.085 0.000 1.048 72 K CA 1.880 58.118 56.287 -0.081 0.000 0.948 72 K CB 0.459 32.917 32.500 -0.070 0.000 0.726 72 K HN 0.368 8.548 8.250 -0.118 0.000 0.442 73 G N -4.323 104.415 108.800 -0.102 0.000 4.083 73 G HA2 -0.162 3.702 3.960 -0.160 0.000 0.179 73 G HA3 -0.162 3.748 3.960 -0.083 0.000 0.179 73 G C -2.766 172.088 174.900 -0.076 0.000 2.061 73 G CA -0.279 44.756 45.100 -0.108 0.000 1.122 73 G HN -0.098 8.129 8.290 -0.105 0.000 0.350 74 K N 1.658 122.031 120.400 -0.044 0.000 2.469 74 K HA 0.531 5.053 4.320 -0.007 -0.206 0.254 74 K C -0.563 176.028 176.600 -0.015 0.000 0.939 74 K CA -1.803 54.471 56.287 -0.022 0.000 0.812 74 K CB 3.082 35.565 32.500 -0.028 0.000 1.301 74 K HN -0.623 7.601 8.250 -0.043 0.000 0.433 75 T N -2.694 111.858 114.554 -0.004 0.000 2.681 75 T HA -0.158 4.197 4.350 0.009 0.000 0.333 75 T C -0.944 173.757 174.700 0.001 0.000 1.049 75 T CA 0.455 62.559 62.100 0.006 0.000 1.002 75 T CB 0.908 69.787 68.868 0.018 0.000 1.161 75 T HN -0.230 8.011 8.240 0.002 0.000 0.519 76 L N -5.122 116.110 121.223 0.015 0.000 2.431 76 L HA 0.474 4.794 4.340 -0.032 0.000 0.266 76 L C -2.046 174.796 176.870 -0.047 0.000 0.978 76 L CA -1.410 53.425 54.840 -0.007 0.000 0.822 76 L CB 3.227 45.310 42.059 0.040 0.000 1.310 76 L HN -0.137 8.114 8.230 0.035 0.000 0.409 77 M N -0.739 118.768 119.600 -0.155 0.000 2.265 77 M HA 0.678 5.139 4.480 -0.380 -0.209 0.262 77 M C -2.511 173.417 176.300 -0.619 0.000 1.026 77 M CA -0.601 54.486 55.300 -0.356 0.000 0.987 77 M CB 2.926 35.414 32.600 -0.187 0.000 1.937 77 M HN -0.196 8.007 8.290 -0.145 0.000 0.481 78 M N 2.244 121.210 119.600 -1.058 0.000 2.365 78 M HA 0.301 4.343 4.480 -0.729 0.000 0.287 78 M C -2.577 172.980 176.300 -1.238 0.000 1.154 78 M CA 0.488 55.248 55.300 -0.900 0.000 0.941 78 M CB 5.233 37.602 32.600 -0.385 0.000 1.704 78 M HN 0.567 8.149 8.290 -1.180 0.000 0.479 79 F N 0.744 120.590 119.950 -0.172 0.000 2.617 79 F HA 0.598 4.988 4.527 -0.228 0.000 0.325 79 F C -1.884 173.898 175.800 -0.031 0.000 1.179 79 F CA -1.346 56.551 58.000 -0.172 0.000 0.965 79 F CB 3.000 41.878 39.000 -0.203 0.000 1.232 79 F HN 0.175 8.266 8.300 -0.348 0.000 0.461 80 V N 2.230 122.245 119.914 0.169 0.000 2.932 80 V HA 0.419 4.729 4.120 0.136 -0.109 0.307 80 V C -2.502 173.683 176.094 0.152 0.000 1.147 80 V CA -1.170 61.211 62.300 0.135 0.000 0.951 80 V CB 4.195 36.068 31.823 0.083 0.000 1.031 80 V HN 0.051 8.350 8.190 0.182 0.000 0.426 81 T N 9.339 123.971 114.554 0.130 0.000 3.198 81 T HA 0.300 4.733 4.350 0.139 0.000 0.352 81 T C -2.403 172.355 174.700 0.097 0.000 1.197 81 T CA -0.676 61.499 62.100 0.125 0.000 1.427 81 T CB -0.238 68.706 68.868 0.127 0.000 0.983 81 T HN 0.834 9.143 8.240 0.115 0.000 0.560 82 V N 5.603 125.570 119.914 0.090 0.000 3.216 82 V HA 0.288 4.449 4.120 0.068 0.000 0.273 82 V C -3.208 172.924 176.094 0.064 0.000 1.664 82 V CA -2.167 60.176 62.300 0.070 0.000 1.021 82 V CB 3.986 35.845 31.823 0.059 0.000 1.250 82 V HN 0.570 8.818 8.190 0.097 0.000 0.463 83 S N 4.888 120.620 115.700 0.053 0.000 2.498 83 S HA -0.049 4.606 4.470 0.047 -0.156 0.281 83 S C 0.537 175.164 174.600 0.044 0.000 1.265 83 S CA 0.988 59.215 58.200 0.046 0.000 1.071 83 S CB 0.221 63.443 63.200 0.037 0.000 0.894 83 S HN 0.227 8.566 8.310 0.049 0.000 0.491 84 G N 7.107 115.936 108.800 0.049 0.000 2.750 84 G HA2 -0.360 3.763 3.960 0.057 0.000 0.686 84 G HA3 -0.360 3.628 3.960 0.046 0.000 0.686 84 G C -2.424 172.503 174.900 0.044 0.000 1.395 84 G CA -0.063 45.066 45.100 0.050 0.000 0.918 84 G HN 0.342 8.907 8.290 0.050 -0.245 0.594 85 N N -0.762 117.963 118.700 0.042 0.000 4.059 85 N HA 0.126 4.882 4.740 0.027 0.000 0.212 85 N C -2.743 172.785 175.510 0.030 0.000 1.159 85 N CA -1.145 51.925 53.050 0.034 0.000 0.967 85 N CB 3.276 41.787 38.487 0.040 0.000 1.589 85 N HN -0.292 8.117 8.380 0.048 0.000 0.549 86 P HA 0.030 4.457 4.420 0.011 0.000 0.266 86 P C -1.317 175.993 177.300 0.017 0.000 1.419 86 P CA 0.201 63.308 63.100 0.012 0.000 1.112 86 P CB -1.305 30.396 31.700 0.002 0.000 1.438 87 T N -2.698 111.872 114.554 0.025 0.000 3.839 87 T HA 0.143 4.503 4.350 0.017 0.000 0.319 87 T C 0.357 175.077 174.700 0.033 0.000 0.904 87 T CA -0.747 61.367 62.100 0.023 0.000 0.986 87 T CB 0.637 69.517 68.868 0.019 0.000 1.188 87 T HN -0.401 7.859 8.240 0.033 0.000 0.550 88 E N 4.279 124.506 120.200 0.044 0.000 2.000 88 E HA -0.479 3.911 4.350 0.068 0.000 0.199 88 E C 1.184 177.812 176.600 0.046 0.000 1.011 88 E CA 4.184 60.620 56.400 0.060 0.000 0.836 88 E CB 0.037 29.788 29.700 0.084 0.000 0.778 88 E HN 0.234 8.618 8.360 0.040 0.000 0.462 89 K N -3.656 116.768 120.400 0.039 0.000 2.288 89 K HA -0.220 4.121 4.320 0.034 0.000 0.201 89 K C 1.969 178.584 176.600 0.025 0.000 1.048 89 K CA 2.595 58.901 56.287 0.032 0.000 0.956 89 K CB -0.624 31.893 32.500 0.029 0.000 0.746 89 K HN 0.335 8.608 8.250 0.038 0.000 0.461 90 E N -0.201 120.013 120.200 0.022 0.000 2.072 90 E HA -0.233 4.127 4.350 0.016 0.000 0.190 90 E C 1.947 178.553 176.600 0.010 0.000 0.982 90 E CA 3.567 59.976 56.400 0.015 0.000 0.803 90 E CB -0.155 29.551 29.700 0.010 0.000 0.755 90 E HN 0.171 8.431 8.360 0.024 0.114 0.453 91 T N -1.645 112.916 114.554 0.012 0.000 2.788 91 T HA -0.397 3.954 4.350 0.001 0.000 0.268 91 T C 1.713 176.417 174.700 0.006 0.000 1.044 91 T CA 4.040 66.144 62.100 0.007 0.000 1.139 91 T CB -0.240 68.636 68.868 0.013 0.000 0.867 91 T HN 0.022 8.157 8.240 0.018 0.115 0.454 92 E N 0.287 120.494 120.200 0.013 0.000 2.204 92 E HA -0.323 4.030 4.350 0.004 0.000 0.195 92 E C 2.084 178.694 176.600 0.016 0.000 0.990 92 E CA 2.433 58.840 56.400 0.012 0.000 0.821 92 E CB -0.089 29.622 29.700 0.018 0.000 0.750 92 E HN -0.670 7.691 8.360 0.018 0.010 0.477 93 E N -1.150 119.061 120.200 0.019 0.000 2.299 93 E HA -0.146 4.220 4.350 0.027 0.000 0.193 93 E C 1.784 178.405 176.600 0.035 0.000 0.998 93 E CA 2.040 58.455 56.400 0.025 0.000 0.851 93 E CB -0.469 29.243 29.700 0.019 0.000 0.795 93 E HN -0.694 7.535 8.360 0.017 0.141 0.492 94 I N -2.122 118.465 120.570 0.028 0.000 2.399 94 I HA -0.378 3.823 4.170 0.050 0.000 0.254 94 I C 1.749 177.924 176.117 0.097 0.000 1.146 94 I CA 3.053 64.380 61.300 0.045 0.000 1.412 94 I CB -1.013 36.995 38.000 0.013 0.000 1.076 94 I HN -0.639 7.426 8.210 0.016 0.155 0.432 95 T N -0.202 114.393 114.554 0.068 0.000 2.821 95 T HA -0.328 4.090 4.350 0.114 0.000 0.267 95 T C 1.990 176.809 174.700 0.198 0.000 1.046 95 T CA 4.471 66.640 62.100 0.114 0.000 1.139 95 T CB -0.095 68.801 68.868 0.046 0.000 0.871 95 T HN -0.549 7.681 8.240 0.035 0.032 0.454 96 S N 1.241 117.011 115.700 0.116 0.000 2.357 96 S HA -0.164 4.361 4.470 0.092 0.000 0.221 96 S C 1.692 176.342 174.600 0.083 0.000 1.031 96 S CA 3.198 61.450 58.200 0.088 0.000 0.982 96 S CB -0.100 63.128 63.200 0.047 0.000 0.853 96 S HN -0.439 7.812 8.310 0.083 0.108 0.458 97 L N 0.233 121.507 121.223 0.085 0.000 2.109 97 L HA -0.136 4.220 4.340 0.026 0.000 0.207 97 L C 2.413 179.340 176.870 0.096 0.000 1.086 97 L CA 2.492 57.370 54.840 0.064 0.000 0.760 97 L CB -0.090 41.998 42.059 0.049 0.000 0.910 97 L HN -0.585 7.696 8.230 0.085 0.000 0.437 98 W N 0.197 121.475 121.300 -0.036 0.000 2.331 98 W HA -0.496 4.140 4.660 -0.040 0.000 0.291 98 W C 1.095 177.580 176.519 -0.056 0.000 1.214 98 W CA 4.402 61.712 57.345 -0.059 0.000 1.228 98 W CB -0.383 29.016 29.460 -0.103 0.000 1.135 98 W HN 0.414 8.659 8.180 0.291 0.110 0.537 99 Q N -2.485 117.236 119.800 -0.131 0.000 2.152 99 Q HA -0.418 3.565 4.340 -0.595 0.000 0.206 99 Q C 2.603 178.434 176.000 -0.282 0.000 0.985 99 Q CA 3.911 59.530 55.803 -0.306 0.000 0.863 99 Q CB -0.792 27.894 28.738 -0.087 0.000 0.904 99 Q HN -0.423 7.883 8.270 0.104 0.026 0.422 100 G N -2.926 105.781 108.800 -0.156 0.000 2.404 100 G HA2 -0.226 3.677 3.960 -0.095 0.000 0.214 100 G HA3 -0.226 3.694 3.960 -0.067 0.000 0.214 100 G C 1.306 176.169 174.900 -0.062 0.000 1.189 100 G CA 1.292 46.334 45.100 -0.097 0.000 0.789 100 G HN -0.203 7.908 8.290 -0.102 0.118 0.533 101 S N 4.009 119.666 115.700 -0.071 0.000 2.419 101 S HA -0.319 4.202 4.470 0.084 0.000 0.233 101 S C 2.098 176.683 174.600 -0.026 0.000 1.016 101 S CA 2.862 61.069 58.200 0.012 0.000 0.974 101 S CB -0.038 63.209 63.200 0.080 0.000 0.786 101 S HN -0.710 7.554 8.310 -0.078 0.000 0.492 102 L N 2.405 123.413 121.223 -0.358 0.000 2.129 102 L HA -0.330 3.911 4.340 -0.166 0.000 0.212 102 L C 1.322 178.157 176.870 -0.057 0.000 1.087 102 L CA 2.927 57.520 54.840 -0.411 0.000 0.757 102 L CB -0.467 40.956 42.059 -1.061 0.000 0.896 102 L HN 0.309 8.182 8.230 -0.551 0.026 0.434 103 F N -0.159 119.704 119.950 -0.145 0.000 2.192 103 F HA -0.439 4.042 4.527 -0.076 0.000 0.301 103 F C 0.765 176.561 175.800 -0.006 0.000 1.079 103 F CA 2.875 60.834 58.000 -0.069 0.000 1.303 103 F CB -0.161 38.802 39.000 -0.062 0.000 1.024 103 F HN -0.391 7.814 8.300 0.077 0.141 0.494 104 N N -1.990 116.726 118.700 0.027 0.000 2.348 104 N HA -0.411 4.282 4.740 -0.078 0.000 0.185 104 N C 0.303 175.755 175.510 -0.096 0.000 1.019 104 N CA 2.022 55.061 53.050 -0.017 0.000 0.880 104 N CB 1.042 39.613 38.487 0.139 0.000 0.965 104 N HN -0.252 8.091 8.380 0.167 0.137 0.437 105 A N -3.143 119.632 122.820 -0.075 0.000 2.945 105 A HA -0.292 4.302 4.320 -0.049 -0.304 0.263 105 A C -1.819 175.667 177.584 -0.163 0.000 1.293 105 A CA 1.536 53.510 52.037 -0.106 0.000 0.944 105 A CB -2.015 16.883 19.000 -0.170 0.000 1.093 105 A HN 0.238 8.204 8.150 -0.008 0.179 0.786 106 N N -5.487 113.139 118.700 -0.124 0.000 2.453 106 N HA 0.199 4.740 4.740 -0.332 0.000 0.267 106 N C -1.037 174.420 175.510 -0.089 0.000 1.482 106 N CA -0.467 52.478 53.050 -0.176 0.000 0.841 106 N CB 1.660 40.123 38.487 -0.040 0.000 1.408 106 N HN -0.059 8.350 8.380 0.002 -0.027 0.490 107 Y N -1.171 119.215 120.300 0.143 0.000 2.554 107 Y HA -0.195 4.493 4.550 0.230 0.000 0.353 107 Y C -0.518 175.534 175.900 0.255 0.000 1.269 107 Y CA -0.289 57.950 58.100 0.231 0.000 1.494 107 Y CB 0.023 38.676 38.460 0.321 0.000 1.365 107 Y HN -0.417 7.761 8.280 -0.171 0.000 0.664 108 D N 1.259 121.984 120.400 0.541 0.000 2.620 108 D HA 0.291 5.138 4.640 0.344 0.000 0.252 108 D C -2.090 174.528 176.300 0.530 0.000 1.207 108 D CA -0.200 54.077 54.000 0.461 0.000 0.884 108 D CB 3.030 44.096 40.800 0.444 0.000 1.262 108 D HN -0.238 8.485 8.370 0.588 0.000 0.552 109 V N 0.003 120.191 119.914 0.457 0.000 2.711 109 V HA 0.830 5.436 4.120 0.412 -0.239 0.304 109 V C -2.499 173.788 176.094 0.322 0.000 1.097 109 V CA -2.155 60.373 62.300 0.380 0.000 0.906 109 V CB 2.930 34.917 31.823 0.274 0.000 1.015 109 V HN 0.139 8.572 8.190 0.405 0.000 0.427 110 Q N 5.612 125.607 119.800 0.324 0.000 2.285 110 Q HA 0.725 5.350 4.340 0.248 -0.136 0.269 110 Q C -1.849 174.302 176.000 0.251 0.000 1.030 110 Q CA -1.156 54.815 55.803 0.281 0.000 0.788 110 Q CB 4.634 33.552 28.738 0.301 0.000 1.266 110 Q HN 0.146 8.637 8.270 0.368 0.000 0.438 111 R N 4.764 125.396 120.500 0.221 0.000 2.360 111 R HA 0.410 4.875 4.340 0.209 0.000 0.318 111 R C -1.967 174.512 176.300 0.299 0.000 0.950 111 R CA -1.013 55.212 56.100 0.208 0.000 0.837 111 R CB 1.860 32.235 30.300 0.126 0.000 1.165 111 R HN -0.076 8.319 8.270 0.208 0.000 0.458 112 F N 6.247 126.245 119.950 0.079 0.000 2.529 112 F HA 0.420 4.980 4.527 0.054 0.000 0.320 112 F C -2.557 173.273 175.800 0.050 0.000 1.118 112 F CA -1.308 56.730 58.000 0.063 0.000 0.915 112 F CB 4.440 43.482 39.000 0.069 0.000 1.161 112 F HN -0.376 8.112 8.300 0.313 0.000 0.445 113 I N 2.856 123.182 120.570 -0.406 0.000 2.447 113 I HA 0.308 4.386 4.170 -0.153 0.000 0.287 113 I C -2.333 173.521 176.117 -0.438 0.000 1.023 113 I CA -1.022 60.104 61.300 -0.290 0.000 1.083 113 I CB 1.799 39.707 38.000 -0.154 0.000 1.245 113 I HN 0.046 7.871 8.210 -0.643 0.000 0.434 114 V N 4.783 124.528 119.914 -0.282 0.000 2.971 114 V HA 0.277 4.254 4.120 -0.239 0.000 0.309 114 V C 1.265 177.306 176.094 -0.089 0.000 1.130 114 V CA -1.902 60.268 62.300 -0.216 0.000 0.964 114 V CB 3.177 34.885 31.823 -0.192 0.000 1.029 114 V HN 0.001 8.090 8.190 -0.168 0.000 0.427 115 G N 3.808 112.569 108.800 -0.065 0.000 2.485 115 G HA2 -0.326 3.617 3.960 -0.028 0.000 0.221 115 G HA3 -0.326 3.618 3.960 -0.026 0.000 0.221 115 G C 0.440 175.334 174.900 -0.009 0.000 1.115 115 G CA 2.354 47.435 45.100 -0.030 0.000 0.751 115 G HN 0.338 8.581 8.290 -0.078 0.000 0.567 116 S N -0.741 114.957 115.700 -0.003 0.000 2.371 116 S HA -0.080 4.400 4.470 0.016 0.000 0.224 116 S C -0.371 174.245 174.600 0.027 0.000 1.029 116 S CA 1.687 59.898 58.200 0.018 0.000 0.978 116 S CB 0.399 63.618 63.200 0.032 0.000 0.833 116 S HN -0.204 8.063 8.310 -0.012 0.036 0.466 117 D N -2.676 117.741 120.400 0.028 0.000 2.804 117 D HA -0.018 4.643 4.640 0.035 0.000 0.309 117 D C -2.607 173.722 176.300 0.049 0.000 1.311 117 D CA -0.232 53.793 54.000 0.043 0.000 0.765 117 D CB 0.792 41.628 40.800 0.061 0.000 1.293 117 D HN -0.391 7.898 8.370 0.015 0.090 0.434 118 R N -1.733 118.808 120.500 0.068 0.000 2.686 118 R HA 0.479 4.869 4.340 0.084 0.000 0.286 118 R C -2.141 174.235 176.300 0.127 0.000 0.969 118 R CA -0.803 55.347 56.100 0.085 0.000 0.898 118 R CB 4.564 34.899 30.300 0.058 0.000 1.183 118 R HN 0.153 8.432 8.270 0.067 0.031 0.456 119 A N 2.646 125.572 122.820 0.177 0.000 2.459 119 A HA 0.567 5.104 4.320 0.161 -0.120 0.296 119 A C -2.977 174.739 177.584 0.219 0.000 1.039 119 A CA -0.908 51.245 52.037 0.193 0.000 0.698 119 A CB 3.599 22.721 19.000 0.204 0.000 1.261 119 A HN 0.036 8.308 8.150 0.203 0.000 0.405 120 I N 2.215 122.908 120.570 0.205 0.000 2.647 120 I HA 0.765 5.251 4.170 0.252 -0.164 0.295 120 I C -2.780 173.505 176.117 0.281 0.000 1.078 120 I CA -1.533 59.899 61.300 0.220 0.000 1.048 120 I CB 4.540 42.623 38.000 0.139 0.000 1.239 120 I HN -0.246 8.073 8.210 0.181 0.000 0.421 121 F N 8.972 129.035 119.950 0.189 0.000 2.518 121 F HA 0.680 5.386 4.527 0.298 0.000 0.323 121 F C -2.532 173.403 175.800 0.226 0.000 1.129 121 F CA -2.012 56.144 58.000 0.260 0.000 0.920 121 F CB 4.356 43.537 39.000 0.301 0.000 1.160 121 F HN -0.308 8.235 8.300 0.404 0.000 0.440 122 M N 6.396 126.036 119.600 0.067 0.000 2.234 122 M HA 0.871 5.858 4.480 0.421 -0.255 0.267 122 M C -2.847 173.474 176.300 0.035 0.000 1.022 122 M CA -1.148 54.254 55.300 0.170 0.000 0.993 122 M CB 3.231 35.869 32.600 0.062 0.000 1.836 122 M HN 0.305 8.320 8.290 -0.457 0.000 0.479 123 L N 3.172 124.596 121.223 0.336 0.000 2.518 123 L HA 0.653 5.238 4.340 0.140 -0.162 0.257 123 L C -1.058 176.017 176.870 0.342 0.000 0.980 123 L CA -1.150 53.881 54.840 0.318 0.000 0.837 123 L CB 4.500 46.894 42.059 0.558 0.000 1.410 123 L HN -0.173 8.353 8.230 0.492 0.000 0.410 124 R N 1.796 122.443 120.500 0.245 0.000 2.127 124 R HA -0.230 4.252 4.340 0.238 0.000 0.238 124 R C 0.418 176.874 176.300 0.258 0.000 1.134 124 R CA 2.643 58.877 56.100 0.223 0.000 0.975 124 R CB 0.109 30.495 30.300 0.142 0.000 0.865 124 R HN 0.178 8.563 8.270 0.192 0.000 0.447 125 D N -3.448 117.116 120.400 0.274 0.000 2.363 125 D HA -0.097 4.680 4.640 0.229 0.000 0.240 125 D C 0.597 177.127 176.300 0.383 0.000 1.236 125 D CA 1.381 55.558 54.000 0.296 0.000 0.927 125 D CB 1.535 42.509 40.800 0.289 0.000 1.150 125 D HN -0.622 7.892 8.370 0.277 0.021 0.458 126 G N -1.800 107.263 108.800 0.439 0.000 2.639 126 G HA2 0.093 4.236 3.960 0.285 0.000 0.201 126 G HA3 0.093 4.308 3.960 0.253 -0.103 0.201 126 G C 0.720 175.801 174.900 0.301 0.000 1.260 126 G CA 0.998 46.293 45.100 0.325 0.000 0.749 126 G HN 0.089 8.720 8.290 0.568 0.000 0.611 127 S N 0.885 116.791 115.700 0.344 0.000 2.371 127 S HA -0.286 4.251 4.470 0.112 0.000 0.224 127 S C 1.360 176.145 174.600 0.308 0.000 1.029 127 S CA 2.495 60.824 58.200 0.215 0.000 0.978 127 S CB 0.096 63.300 63.200 0.007 0.000 0.833 127 S HN 0.223 8.836 8.310 0.504 0.000 0.466 128 Y N -0.038 120.475 120.300 0.356 0.000 2.352 128 Y HA -0.219 4.454 4.550 0.204 0.000 0.292 128 Y C 1.227 177.249 175.900 0.204 0.000 1.136 128 Y CA 3.482 61.728 58.100 0.243 0.000 1.227 128 Y CB -0.269 38.309 38.460 0.196 0.000 0.991 128 Y HN 0.289 9.012 8.280 0.738 0.000 0.545 129 A N -0.147 122.927 122.820 0.423 0.000 1.930 129 A HA -0.309 4.273 4.320 0.438 0.000 0.217 129 A C 1.540 179.077 177.584 -0.078 0.000 1.175 129 A CA 2.350 54.558 52.037 0.284 0.000 0.627 129 A CB -1.047 18.236 19.000 0.472 0.000 0.815 129 A HN -0.240 8.065 8.150 0.458 0.120 0.443 130 W N -0.936 120.288 121.300 -0.126 0.000 2.338 130 W HA -0.439 4.071 4.660 -0.251 0.000 0.304 130 W C 1.284 177.714 176.519 -0.149 0.000 1.212 130 W CA 3.164 60.407 57.345 -0.170 0.000 1.264 130 W CB 0.202 29.609 29.460 -0.088 0.000 1.142 130 W HN -0.570 7.824 8.180 0.355 0.000 0.512 131 E N -2.262 117.931 120.200 -0.012 0.000 2.031 131 E HA -0.407 3.857 4.350 -0.143 0.000 0.193 131 E C 2.733 179.298 176.600 -0.058 0.000 0.994 131 E CA 3.211 59.565 56.400 -0.078 0.000 0.800 131 E CB -0.031 29.640 29.700 -0.050 0.000 0.752 131 E HN -0.861 7.573 8.360 0.123 0.000 0.447 132 I N -1.251 119.314 120.570 -0.009 0.000 2.361 132 I HA -0.385 3.833 4.170 0.080 0.000 0.251 132 I C 1.771 177.884 176.117 -0.007 0.000 1.133 132 I CA 1.894 63.224 61.300 0.049 0.000 1.413 132 I CB -1.415 36.668 38.000 0.137 0.000 1.073 132 I HN -0.497 7.739 8.210 0.044 0.000 0.424 133 K N 1.056 121.226 120.400 -0.384 0.000 1.987 133 K HA -0.462 3.635 4.320 -0.372 0.000 0.216 133 K C 1.973 178.430 176.600 -0.238 0.000 1.051 133 K CA 3.810 59.803 56.287 -0.491 0.000 0.942 133 K CB -0.527 31.515 32.500 -0.763 0.000 0.722 133 K HN 0.150 7.997 8.250 -0.477 0.117 0.444 134 D N -1.878 118.304 120.400 -0.362 0.000 2.158 134 D HA -0.261 4.191 4.640 -0.314 0.000 0.197 134 D C 2.487 178.698 176.300 -0.148 0.000 0.995 134 D CA 3.109 56.932 54.000 -0.295 0.000 0.846 134 D CB -0.727 39.858 40.800 -0.360 0.000 0.941 134 D HN -0.687 7.372 8.370 -0.517 0.000 0.456 135 F N -0.380 119.485 119.950 -0.142 0.000 2.234 135 F HA -0.274 4.211 4.527 -0.071 0.000 0.299 135 F C 1.811 177.595 175.800 -0.026 0.000 1.087 135 F CA 3.268 61.225 58.000 -0.071 0.000 1.340 135 F CB 0.303 39.270 39.000 -0.055 0.000 1.031 135 F HN -0.934 7.321 8.300 0.103 0.107 0.500 136 L N 0.822 122.164 121.223 0.199 0.000 1.961 136 L HA -0.341 4.118 4.340 0.198 0.000 0.209 136 L C 1.271 178.213 176.870 0.119 0.000 1.075 136 L CA 3.727 58.682 54.840 0.192 0.000 0.749 136 L CB -0.399 41.839 42.059 0.299 0.000 0.890 136 L HN 0.181 8.369 8.230 0.167 0.143 0.433 137 V N 0.461 120.420 119.914 0.075 0.000 2.453 137 V HA -0.394 3.771 4.120 0.076 0.000 0.252 137 V C 1.288 177.383 176.094 0.002 0.000 1.068 137 V CA 2.748 65.071 62.300 0.039 0.000 1.070 137 V CB -0.728 31.088 31.823 -0.011 0.000 0.664 137 V HN -0.527 7.704 8.190 0.067 0.000 0.461 138 S N -0.255 115.420 115.700 -0.042 0.000 2.402 138 S HA -0.323 4.087 4.470 -0.101 0.000 0.233 138 S C 1.584 176.164 174.600 -0.033 0.000 1.030 138 S CA 2.697 60.843 58.200 -0.090 0.000 1.003 138 S CB 0.100 63.167 63.200 -0.221 0.000 0.813 138 S HN -0.440 7.811 8.310 -0.046 0.031 0.477 139 Q N 1.068 120.881 119.800 0.022 0.000 2.016 139 Q HA -0.103 4.257 4.340 0.033 0.000 0.200 139 Q C 0.629 176.651 176.000 0.037 0.000 0.978 139 Q CA 1.631 57.460 55.803 0.043 0.000 0.833 139 Q CB 0.410 29.194 28.738 0.077 0.000 0.895 139 Q HN -0.304 7.854 8.270 0.045 0.139 0.427 140 D N -2.477 117.951 120.400 0.048 0.000 2.945 140 D HA -0.264 4.413 4.640 0.061 0.000 0.225 140 D C -1.327 175.003 176.300 0.049 0.000 1.158 140 D CA 1.504 55.533 54.000 0.049 0.000 0.805 140 D CB -0.585 40.236 40.800 0.034 0.000 1.098 140 D HN -0.341 8.064 8.370 0.058 0.000 0.426 141 R N -3.397 117.136 120.500 0.055 0.000 2.418 141 R HA 0.137 4.507 4.340 0.049 0.000 0.218 141 R C -1.841 174.493 176.300 0.055 0.000 1.151 141 R CA 0.125 56.255 56.100 0.050 0.000 1.221 141 R CB 0.242 30.565 30.300 0.039 0.000 1.366 141 R HN 0.036 8.313 8.270 0.063 0.031 0.767 142 C N -1.205 118.136 119.300 0.068 0.000 2.985 142 C HA 0.220 4.718 4.460 0.063 0.000 0.314 142 C C -2.766 172.273 174.990 0.082 0.000 1.215 142 C CA -0.882 58.180 59.018 0.074 0.000 1.414 142 C CB 4.999 32.790 27.740 0.086 0.000 1.842 142 C HN -0.395 7.880 8.230 0.074 0.000 0.477 143 A N 2.900 125.765 122.820 0.075 0.000 2.408 143 A HA 0.343 4.713 4.320 0.085 0.000 0.295 143 A C -2.485 175.143 177.584 0.073 0.000 1.040 143 A CA -0.773 51.308 52.037 0.073 0.000 0.707 143 A CB 2.296 21.328 19.000 0.054 0.000 1.235 143 A HN 0.593 8.783 8.150 0.067 0.000 0.418 144 E N 1.230 121.479 120.200 0.081 0.000 2.372 144 E HA 0.374 4.760 4.350 0.060 0.000 0.279 144 E C -2.387 174.224 176.600 0.018 0.000 0.946 144 E CA -0.940 55.505 56.400 0.076 0.000 0.769 144 E CB 4.594 34.379 29.700 0.143 0.000 1.230 144 E HN 0.205 8.615 8.360 0.084 0.000 0.442 145 V N 2.191 122.103 119.914 -0.002 0.000 2.711 145 V HA 0.293 4.329 4.120 -0.140 0.000 0.304 145 V C -2.504 173.568 176.094 -0.036 0.000 1.097 145 V CA -1.650 60.616 62.300 -0.057 0.000 0.906 145 V CB 2.554 34.360 31.823 -0.029 0.000 1.015 145 V HN 0.469 8.674 8.190 0.025 0.000 0.427 146 T N 7.924 122.420 114.554 -0.096 0.000 2.847 146 T HA 0.320 4.664 4.350 -0.009 0.000 0.291 146 T C -2.080 172.569 174.700 -0.086 0.000 0.998 146 T CA -1.181 60.882 62.100 -0.062 0.000 0.967 146 T CB 1.827 70.660 68.868 -0.057 0.000 0.954 146 T HN 0.173 8.303 8.240 -0.183 0.000 0.441 147 L N 5.313 126.487 121.223 -0.081 0.000 2.562 147 L HA 0.435 4.719 4.340 -0.093 0.000 0.266 147 L C -2.316 174.423 176.870 -0.218 0.000 0.949 147 L CA -0.501 54.278 54.840 -0.103 0.000 0.879 147 L CB 2.820 44.850 42.059 -0.048 0.000 1.278 147 L HN -0.223 7.969 8.230 -0.064 0.000 0.404 148 E N 5.210 125.297 120.200 -0.188 0.000 2.239 148 E HA 0.227 4.320 4.350 -0.428 0.000 0.261 148 E C -1.254 175.267 176.600 -0.132 0.000 1.016 148 E CA -1.111 55.149 56.400 -0.234 0.000 0.882 148 E CB 1.316 30.924 29.700 -0.154 0.000 1.190 148 E HN 0.357 8.644 8.360 -0.122 0.000 0.415 149 G N -1.770 106.967 108.800 -0.106 0.000 3.815 149 G HA2 -0.028 3.909 3.960 -0.040 0.000 0.265 149 G HA3 -0.028 3.916 3.960 -0.028 0.000 0.265 149 G C -1.058 173.827 174.900 -0.025 0.000 1.026 149 G CA 0.066 45.139 45.100 -0.045 0.000 0.868 149 G HN 0.139 8.349 8.290 -0.132 0.000 0.476 150 Q N -2.154 117.632 119.800 -0.023 0.000 2.706 150 Q HA 0.262 4.605 4.340 0.005 0.000 0.335 150 Q C -1.830 174.190 176.000 0.034 0.000 0.796 150 Q CA -0.630 55.176 55.803 0.005 0.000 1.046 150 Q CB 0.144 28.889 28.738 0.011 0.000 1.448 150 Q HN -0.428 7.816 8.270 -0.044 0.000 0.385 151 M N -0.450 119.177 119.600 0.045 0.000 2.970 151 M HA 0.256 4.831 4.480 0.158 0.000 0.284 151 M C -2.198 174.220 176.300 0.197 0.000 1.254 151 M CA -0.813 54.558 55.300 0.118 0.000 0.744 151 M CB 2.865 35.497 32.600 0.053 0.000 1.758 151 M HN -0.634 7.664 8.290 0.014 0.000 0.428 152 Y N -1.259 119.014 120.300 -0.044 0.000 2.453 152 Y HA 0.526 5.082 4.550 -0.048 -0.035 0.326 152 Y C -0.733 175.136 175.900 -0.052 0.000 1.186 152 Y CA -3.022 55.049 58.100 -0.048 0.000 1.200 152 Y CB 0.192 38.623 38.460 -0.048 0.000 1.247 152 Y HN 0.288 8.738 8.280 0.283 0.000 0.482 153 P HA 0.024 4.427 4.420 -0.028 0.000 0.275 153 P C -0.997 176.305 177.300 0.002 0.000 1.270 153 P CA -0.704 62.379 63.100 -0.028 0.000 0.791 153 P CB 0.887 32.526 31.700 -0.102 0.000 1.089 154 G N -2.463 106.329 108.800 -0.013 0.000 2.887 154 G HA2 -0.127 3.846 3.960 0.022 0.000 0.211 154 G HA3 -0.127 3.854 3.960 0.035 0.000 0.211 154 G C 0.651 175.549 174.900 -0.003 0.000 1.152 154 G CA -0.038 45.070 45.100 0.013 0.000 0.769 154 G HN 0.570 8.845 8.290 -0.025 0.000 0.541 155 K N 2.270 122.601 120.400 -0.115 0.000 2.032 155 K HA -0.384 3.797 4.320 -0.232 0.000 0.209 155 K C 0.551 176.927 176.600 -0.373 0.000 1.048 155 K CA 1.818 57.860 56.287 -0.408 0.000 0.927 155 K CB -0.335 31.745 32.500 -0.699 0.000 0.712 155 K HN -0.107 8.029 8.250 -0.118 0.043 0.441 156 G N -3.965 104.704 108.800 -0.217 0.000 2.136 156 G HA2 -0.151 3.786 3.960 -0.038 0.000 0.242 156 G HA3 -0.151 3.769 3.960 -0.067 0.000 0.242 156 G C -0.635 174.176 174.900 -0.147 0.000 0.989 156 G CA -0.141 44.892 45.100 -0.112 0.000 0.682 156 G HN -0.191 7.992 8.290 -0.179 0.000 0.522 157 G N -2.266 106.382 108.800 -0.254 0.000 2.775 157 G HA2 0.026 3.916 3.960 -0.117 0.000 0.198 157 G HA3 0.026 3.820 3.960 -0.278 0.000 0.198 157 G C -0.198 174.611 174.900 -0.152 0.000 1.121 157 G CA -0.071 44.907 45.100 -0.202 0.000 0.686 157 G HN -0.292 7.761 8.290 -0.334 0.037 0.782 158 G N -0.008 108.677 108.800 -0.192 0.000 2.363 158 G HA2 -0.259 3.599 3.960 -0.169 0.000 0.286 158 G HA3 -0.259 3.624 3.960 -0.128 0.000 0.286 158 G C 0.053 174.886 174.900 -0.112 0.000 0.975 158 G CA 0.139 45.150 45.100 -0.149 0.000 1.309 158 G HN -0.209 7.922 8.290 -0.265 0.000 0.491 159 S N 0.003 115.636 115.700 -0.112 0.000 2.374 159 S HA -0.274 4.161 4.470 -0.058 0.000 0.227 159 S C 0.619 175.185 174.600 -0.057 0.000 1.037 159 S CA 1.682 59.840 58.200 -0.070 0.000 1.024 159 S CB 0.138 63.306 63.200 -0.054 0.000 0.861 159 S HN -0.183 8.040 8.310 -0.145 0.000 0.456 160 K N -2.968 117.392 120.400 -0.067 0.000 3.257 160 K HA -0.227 4.055 4.320 -0.063 0.000 0.270 160 K C -0.578 175.998 176.600 -0.040 0.000 0.984 160 K CA 0.863 57.115 56.287 -0.058 0.000 0.739 160 K CB -1.635 30.829 32.500 -0.060 0.000 1.351 160 K HN -0.132 8.064 8.250 -0.082 0.005 0.463 161 E N 0.626 120.805 120.200 -0.034 0.000 2.099 161 E HA -0.077 4.261 4.350 -0.020 0.000 0.191 161 E C 0.308 176.896 176.600 -0.020 0.000 0.962 161 E CA 0.355 56.742 56.400 -0.022 0.000 0.826 161 E CB 1.017 30.707 29.700 -0.016 0.000 0.788 161 E HN -0.005 8.332 8.360 -0.038 0.000 0.461 162 K N -1.628 118.759 120.400 -0.022 0.000 3.585 162 K HA -0.411 3.898 4.320 -0.019 0.000 0.275 162 K C -1.617 174.976 176.600 -0.011 0.000 1.026 162 K CA 0.558 56.834 56.287 -0.018 0.000 0.800 162 K CB -2.115 30.373 32.500 -0.020 0.000 1.401 162 K HN -0.246 7.989 8.250 -0.026 0.000 0.453 163 N N -0.423 118.272 118.700 -0.008 0.000 2.478 163 N HA 0.105 4.843 4.740 -0.003 0.000 0.291 163 N C -1.840 173.670 175.510 -0.000 0.000 1.090 163 N CA -0.151 52.896 53.050 -0.004 0.000 0.911 163 N CB 3.106 41.591 38.487 -0.003 0.000 1.546 163 N HN -0.045 8.329 8.380 -0.010 0.000 0.500 164 K N 4.173 124.574 120.400 0.002 0.000 2.144 164 K HA 0.093 4.416 4.320 0.006 0.000 0.270 164 K C -0.729 175.875 176.600 0.007 0.000 1.005 164 K CA 0.093 56.383 56.287 0.005 0.000 0.932 164 K CB 1.287 33.791 32.500 0.006 0.000 1.021 164 K HN 0.223 8.473 8.250 0.001 0.000 0.462 165 T N 3.031 117.591 114.554 0.010 0.000 2.906 165 T HA 0.281 4.636 4.350 0.009 0.000 0.295 165 T C 0.076 174.784 174.700 0.013 0.000 1.075 165 T CA -2.134 59.972 62.100 0.011 0.000 1.005 165 T CB 1.963 70.837 68.868 0.011 0.000 1.136 165 T HN 0.108 8.355 8.240 0.011 0.000 0.498 166 K N 1.315 121.723 120.400 0.013 0.000 1.973 166 K HA -0.057 4.272 4.320 0.015 0.000 0.210 166 K C 0.393 177.003 176.600 0.017 0.000 1.045 166 K CA 4.484 60.779 56.287 0.014 0.000 0.937 166 K CB -1.795 30.712 32.500 0.012 0.000 0.721 166 K HN 0.362 8.619 8.250 0.011 0.000 0.438 167 P HA -0.005 4.428 4.420 0.021 0.000 0.226 167 P C 1.014 178.328 177.300 0.022 0.000 1.153 167 P CA 1.769 64.880 63.100 0.019 0.000 0.777 167 P CB -0.259 31.451 31.700 0.016 0.000 0.794 168 E N 0.111 120.323 120.200 0.021 0.000 2.033 168 E HA -0.365 3.998 4.350 0.022 0.000 0.199 168 E C 1.884 178.503 176.600 0.031 0.000 1.011 168 E CA 3.764 60.178 56.400 0.023 0.000 0.815 168 E CB -0.503 29.209 29.700 0.019 0.000 0.755 168 E HN 0.640 8.863 8.360 0.018 0.148 0.451 169 K N -2.825 117.595 120.400 0.033 0.000 2.148 169 K HA -0.185 4.165 4.320 0.050 0.000 0.204 169 K C 2.057 178.686 176.600 0.048 0.000 1.050 169 K CA 2.414 58.727 56.287 0.043 0.000 0.942 169 K CB -0.656 31.867 32.500 0.038 0.000 0.724 169 K HN -0.448 7.818 8.250 0.028 0.000 0.446 170 A N 0.100 122.944 122.820 0.040 0.000 1.898 170 A HA -0.206 4.140 4.320 0.044 0.000 0.216 170 A C 2.180 179.793 177.584 0.047 0.000 1.181 170 A CA 2.801 54.863 52.037 0.041 0.000 0.620 170 A CB -0.845 18.174 19.000 0.032 0.000 0.819 170 A HN -0.472 7.580 8.150 0.033 0.118 0.442 171 K N -1.260 119.165 120.400 0.042 0.000 2.057 171 K HA -0.277 4.067 4.320 0.040 0.000 0.207 171 K C 2.104 178.740 176.600 0.059 0.000 1.049 171 K CA 3.195 59.508 56.287 0.042 0.000 0.931 171 K CB -0.063 32.455 32.500 0.031 0.000 0.714 171 K HN 0.214 8.486 8.250 0.037 0.000 0.440 172 K N -1.023 119.419 120.400 0.069 0.000 2.063 172 K HA -0.366 4.014 4.320 0.100 0.000 0.208 172 K C 2.341 179.021 176.600 0.133 0.000 1.048 172 K CA 3.427 59.777 56.287 0.104 0.000 0.928 172 K CB -0.187 32.380 32.500 0.112 0.000 0.713 172 K HN -0.643 7.642 8.250 0.059 0.000 0.442 173 K N -3.070 117.397 120.400 0.112 0.000 2.211 173 K HA -0.248 4.159 4.320 0.146 0.000 0.203 173 K C 2.217 178.890 176.600 0.122 0.000 1.050 173 K CA 2.205 58.563 56.287 0.120 0.000 0.945 173 K CB -0.295 32.259 32.500 0.089 0.000 0.732 173 K HN -0.690 7.615 8.250 0.091 0.000 0.451 174 E N -1.647 118.609 120.200 0.093 0.000 2.015 174 E HA -0.254 4.147 4.350 0.085 0.000 0.191 174 E C 0.496 177.147 176.600 0.086 0.000 0.991 174 E CA 2.855 59.304 56.400 0.082 0.000 0.802 174 E CB 1.051 30.784 29.700 0.056 0.000 0.759 174 E HN -0.573 7.697 8.360 0.081 0.138 0.447 175 G N -4.554 104.286 108.800 0.066 0.000 2.329 175 G HA2 -0.113 3.852 3.960 0.007 0.000 0.308 175 G HA3 -0.113 4.013 3.960 0.011 -0.159 0.308 175 G C -1.437 173.477 174.900 0.024 0.000 1.587 175 G CA -0.813 44.303 45.100 0.027 0.000 0.978 175 G HN -0.430 7.902 8.290 0.069 0.000 0.685 176 D N 2.200 122.616 120.400 0.026 0.000 2.075 176 D HA -0.011 4.644 4.640 0.025 0.000 0.196 176 D C 0.737 177.017 176.300 -0.032 0.000 0.985 176 D CA 2.730 56.741 54.000 0.020 0.000 0.834 176 D CB -0.916 39.926 40.800 0.071 0.000 0.987 176 D HN 0.404 8.788 8.370 0.025 0.000 0.452 177 P HA -0.058 4.316 4.420 -0.077 0.000 0.215 177 P C -0.215 177.059 177.300 -0.043 0.000 1.157 177 P CA 1.401 64.458 63.100 -0.072 0.000 0.859 177 P CB 0.328 31.968 31.700 -0.099 0.000 0.786 178 K N -5.073 115.310 120.400 -0.028 0.000 2.685 178 K HA 0.289 4.606 4.320 -0.006 0.000 0.290 178 K C -2.640 173.968 176.600 0.014 0.000 1.018 178 K CA -2.109 54.173 56.287 -0.008 0.000 0.860 178 K CB 1.869 34.363 32.500 -0.011 0.000 1.498 178 K HN -0.661 7.568 8.250 -0.035 0.000 0.390 179 P HA 0.029 4.712 4.420 0.059 -0.228 0.288 179 P C -0.280 177.053 177.300 0.054 0.000 1.291 179 P CA -0.685 62.442 63.100 0.045 0.000 0.766 179 P CB 0.570 32.292 31.700 0.036 0.000 1.242 180 R N -2.262 118.276 120.500 0.063 0.000 2.690 180 R HA -0.439 3.935 4.340 0.056 0.000 0.306 180 R C -1.241 175.112 176.300 0.088 0.000 0.979 180 R CA 0.928 57.065 56.100 0.061 0.000 0.761 180 R CB -1.386 28.937 30.300 0.039 0.000 2.077 180 R HN 0.444 8.752 8.270 0.063 0.000 0.486 181 A N -0.080 122.814 122.820 0.125 0.000 2.511 181 A HA 0.066 4.613 4.320 0.112 -0.160 0.201 181 A C 0.476 178.154 177.584 0.156 0.000 1.628 181 A CA 0.322 52.467 52.037 0.179 0.000 1.578 181 A CB 0.414 19.605 19.000 0.317 0.000 1.443 181 A HN -0.097 8.122 8.150 0.115 0.000 0.514 182 S N 1.112 116.975 115.700 0.271 0.000 2.374 182 S HA -0.437 4.183 4.470 -0.005 -0.153 0.227 182 S C 1.713 176.322 174.600 0.016 0.000 1.037 182 S CA 2.798 61.091 58.200 0.154 0.000 1.024 182 S CB -0.141 63.209 63.200 0.251 0.000 0.861 182 S HN 0.412 8.918 8.310 0.328 0.000 0.456 183 K N 2.398 122.822 120.400 0.040 0.000 2.020 183 K HA -0.396 3.931 4.320 0.011 0.000 0.212 183 K C 2.198 178.788 176.600 -0.017 0.000 1.050 183 K CA 3.119 59.414 56.287 0.012 0.000 0.929 183 K CB -0.567 31.947 32.500 0.022 0.000 0.714 183 K HN 0.140 8.423 8.250 0.073 0.011 0.443 184 E N -1.609 118.579 120.200 -0.021 0.000 2.049 184 E HA -0.416 3.919 4.350 -0.024 0.000 0.198 184 E C 2.526 179.083 176.600 -0.073 0.000 1.007 184 E CA 3.207 59.585 56.400 -0.037 0.000 0.809 184 E CB -0.376 29.306 29.700 -0.030 0.000 0.749 184 E HN -0.444 7.915 8.360 -0.001 0.000 0.450 185 D N -1.781 118.537 120.400 -0.137 0.000 2.116 185 D HA -0.359 4.188 4.640 -0.154 0.000 0.193 185 D C 2.230 178.458 176.300 -0.119 0.000 0.998 185 D CA 2.786 56.676 54.000 -0.184 0.000 0.836 185 D CB -0.641 39.930 40.800 -0.382 0.000 0.951 185 D HN -0.680 7.595 8.370 -0.159 0.000 0.449 186 N N -0.262 118.382 118.700 -0.094 0.000 2.094 186 N HA -0.334 4.369 4.740 -0.061 0.000 0.191 186 N C 2.315 177.799 175.510 -0.044 0.000 1.023 186 N CA 2.646 55.662 53.050 -0.056 0.000 0.857 186 N CB 0.074 38.543 38.487 -0.030 0.000 1.013 186 N HN 0.064 8.386 8.380 -0.098 0.000 0.426 187 R N -2.115 118.361 120.500 -0.039 0.000 2.152 187 R HA -0.215 4.111 4.340 -0.024 0.000 0.232 187 R C 1.187 177.467 176.300 -0.032 0.000 1.117 187 R CA 2.126 58.208 56.100 -0.029 0.000 0.981 187 R CB 0.074 30.360 30.300 -0.023 0.000 0.870 187 R HN -0.215 7.934 8.270 -0.042 0.097 0.451 188 A N -2.974 119.821 122.820 -0.042 0.000 1.828 188 A HA -0.129 4.172 4.320 -0.031 0.000 0.215 188 A C -0.073 177.489 177.584 -0.037 0.000 1.203 188 A CA 1.477 53.490 52.037 -0.039 0.000 0.614 188 A CB 0.560 19.531 19.000 -0.049 0.000 0.844 188 A HN -0.364 7.593 8.150 -0.053 0.161 0.445 189 G N -4.388 104.386 108.800 -0.043 0.000 3.402 189 G HA2 -0.266 3.669 3.960 -0.041 0.000 0.686 189 G HA3 -0.266 3.823 3.960 -0.035 -0.150 0.686 189 G C -2.430 172.445 174.900 -0.040 0.000 0.983 189 G CA -0.511 44.565 45.100 -0.040 0.000 0.821 189 G HN -0.589 7.669 8.290 -0.052 0.000 0.500 190 S N 2.473 118.148 115.700 -0.042 0.000 2.823 190 S HA 0.154 4.669 4.470 -0.040 -0.069 0.316 190 S C -0.530 174.045 174.600 -0.042 0.000 1.116 190 S CA -1.850 56.325 58.200 -0.040 0.000 0.911 190 S CB 3.060 66.237 63.200 -0.038 0.000 1.276 190 S HN -0.083 8.201 8.310 -0.043 0.000 0.565 191 R N 0.535 121.010 120.500 -0.042 0.000 2.496 191 R HA -0.242 4.071 4.340 -0.046 0.000 0.326 191 R C -0.946 175.319 176.300 -0.058 0.000 1.032 191 R CA 1.022 57.093 56.100 -0.048 0.000 0.827 191 R CB -0.860 29.413 30.300 -0.045 0.000 2.368 191 R HN 0.466 8.713 8.270 -0.038 0.000 0.490 192 R N -2.948 117.514 120.500 -0.064 0.000 3.525 192 R HA -0.401 3.896 4.340 -0.071 0.000 0.276 192 R C -1.107 175.158 176.300 -0.058 0.000 1.116 192 R CA 1.732 57.790 56.100 -0.071 0.000 0.745 192 R CB -0.930 29.315 30.300 -0.091 0.000 1.185 192 R HN 0.435 8.669 8.270 -0.059 0.000 0.454 193 E N -1.532 118.638 120.200 -0.051 0.000 3.968 193 E HA 0.056 4.380 4.350 -0.043 0.000 0.219 193 E C -1.399 175.176 176.600 -0.042 0.000 1.310 193 E CA -0.039 56.335 56.400 -0.044 0.000 1.622 193 E CB 1.543 31.219 29.700 -0.041 0.000 1.730 193 E HN -0.208 8.105 8.360 -0.051 0.016 0.629 194 D N -0.560 119.815 120.400 -0.041 0.000 3.908 194 D HA -0.400 4.270 4.640 -0.038 -0.053 0.237 194 D C -0.307 175.972 176.300 -0.034 0.000 1.091 194 D CA 0.847 54.823 54.000 -0.040 0.000 1.147 194 D CB -1.524 39.247 40.800 -0.049 0.000 0.857 194 D HN -0.267 8.078 8.370 -0.041 0.000 0.410 195 L N 0.000 121.205 121.223 -0.030 0.000 2.949 195 L HA 0.000 4.467 4.340 -0.024 -0.142 0.249 195 L CA 0.000 54.825 54.840 -0.025 0.000 0.813 195 L CB 0.000 42.047 42.059 -0.019 0.000 0.961 195 L HN 0.000 8.211 8.230 -0.032 0.000 0.502