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 2yt0_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSSGSSGDAA VTPEERHLSK MQQNGYENPT YKFFEQMQNS GSSGSSGSSG DATA SEQUENCE SSGPTPKTEL VQKFRVQYLG MLPVDRPVGM DTLNSAIENL MTSSSKEDWP DATA SEQUENCE SVNMNVADAT VTVISEKNEE EVLVECRVRF LSFMGVGKDV HTFAFIMDTG DATA SEQUENCE NQRFECHVFW CEPNAANVSE AVQAAC 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 1 G C 0.000 174.903 174.900 0.004 0.000 0.946 1 G CA 0.000 45.103 45.100 0.004 0.000 0.502 2 S N 0.853 116.555 115.700 0.004 0.000 2.714 2 S HA -0.135 4.337 4.470 0.004 0.000 0.318 2 S C -0.577 174.025 174.600 0.004 0.000 1.219 2 S CA 1.086 59.288 58.200 0.004 0.000 1.175 2 S CB 0.142 63.344 63.200 0.003 0.000 0.961 2 S HN -0.091 8.221 8.310 0.004 0.000 0.518 3 S N 2.869 118.571 115.700 0.004 0.000 2.689 3 S HA 0.190 4.662 4.470 0.004 0.000 0.274 3 S C -0.951 173.651 174.600 0.004 0.000 1.176 3 S CA 0.652 58.855 58.200 0.004 0.000 1.014 3 S CB 1.107 64.310 63.200 0.005 0.000 1.071 3 S HN 0.136 8.449 8.310 0.004 0.000 0.478 4 G N 4.042 112.845 108.800 0.004 0.000 2.593 4 G HA2 -0.018 3.945 3.960 0.005 0.000 0.103 4 G HA3 -0.018 3.945 3.960 0.004 0.000 0.103 4 G C -1.468 173.435 174.900 0.004 0.000 1.103 4 G CA 0.389 45.491 45.100 0.004 0.000 1.109 4 G HN -0.281 8.011 8.290 0.004 0.000 0.516 5 S N -0.113 115.589 115.700 0.003 0.000 3.635 5 S HA -0.085 4.387 4.470 0.003 0.000 0.328 5 S C 0.017 174.619 174.600 0.003 0.000 1.135 5 S CA -0.212 57.989 58.200 0.003 0.000 0.942 5 S CB -0.132 63.070 63.200 0.003 0.000 0.930 5 S HN -0.086 8.226 8.310 0.004 0.000 0.512 6 S N 0.805 116.508 115.700 0.004 0.000 2.404 6 S HA -0.012 4.460 4.470 0.004 0.000 0.223 6 S C 0.402 175.004 174.600 0.004 0.000 1.040 6 S CA 0.446 58.649 58.200 0.004 0.000 0.957 6 S CB 0.772 63.974 63.200 0.005 0.000 0.826 6 S HN -0.315 7.979 8.310 0.004 0.018 0.491 7 G N 3.701 112.504 108.800 0.004 0.000 2.940 7 G HA2 -0.187 3.775 3.960 0.003 0.000 0.273 7 G HA3 -0.187 3.775 3.960 0.003 0.000 0.273 7 G C -1.930 172.973 174.900 0.004 0.000 1.030 7 G CA -0.095 45.007 45.100 0.004 0.000 1.066 7 G HN -0.124 8.168 8.290 0.004 0.000 0.466 8 D N 1.564 121.967 120.400 0.004 0.000 2.878 8 D HA 0.003 4.646 4.640 0.005 0.000 0.211 8 D C -0.981 175.322 176.300 0.005 0.000 1.271 8 D CA 0.094 54.097 54.000 0.005 0.000 0.845 8 D CB 1.795 42.598 40.800 0.006 0.000 1.679 8 D HN -0.048 8.324 8.370 0.004 0.000 0.536 9 A N 4.757 127.580 122.820 0.005 0.000 2.786 9 A HA 0.348 4.670 4.320 0.005 0.000 0.346 9 A C -1.089 176.499 177.584 0.006 0.000 1.265 9 A CA -0.331 51.709 52.037 0.005 0.000 0.858 9 A CB -0.067 18.936 19.000 0.004 0.000 1.118 9 A HN 0.432 8.585 8.150 0.005 0.000 0.482 10 A N 5.073 127.897 122.820 0.006 0.000 2.801 10 A HA 0.288 4.612 4.320 0.008 0.000 0.344 10 A C -1.240 176.348 177.584 0.008 0.000 1.322 10 A CA 0.067 52.109 52.037 0.008 0.000 0.913 10 A CB -0.437 18.569 19.000 0.009 0.000 1.140 10 A HN 0.378 8.532 8.150 0.006 0.000 0.487 11 V N 1.155 121.073 119.914 0.007 0.000 2.876 11 V HA 0.312 4.436 4.120 0.006 0.000 0.312 11 V C -0.796 175.302 176.094 0.006 0.000 1.085 11 V CA -0.515 61.788 62.300 0.006 0.000 0.945 11 V CB 2.834 34.659 31.823 0.003 0.000 1.017 11 V HN -0.123 8.071 8.190 0.006 0.000 0.428 12 T N 5.356 119.913 114.554 0.005 0.000 2.904 12 T HA 0.368 4.723 4.350 0.008 0.000 0.290 12 T C -0.482 174.221 174.700 0.006 0.000 1.018 12 T CA -3.236 58.867 62.100 0.006 0.000 1.075 12 T CB 0.508 69.379 68.868 0.005 0.000 0.986 12 T HN -0.019 8.223 8.240 0.004 0.000 0.523 13 P HA -0.008 4.418 4.420 0.011 0.000 0.223 13 P C 0.753 178.061 177.300 0.014 0.000 1.151 13 P CA 1.749 64.854 63.100 0.009 0.000 0.787 13 P CB 0.274 31.977 31.700 0.005 0.000 0.788 14 E N -1.909 118.296 120.200 0.009 0.000 2.216 14 E HA -0.119 4.242 4.350 0.018 0.000 0.192 14 E C 2.145 178.755 176.600 0.017 0.000 0.988 14 E CA 2.327 58.734 56.400 0.011 0.000 0.834 14 E CB -0.793 28.902 29.700 -0.008 0.000 0.772 14 E HN -0.384 7.940 8.360 0.004 0.039 0.479 15 E N -0.820 119.380 120.200 -0.001 0.000 2.230 15 E HA -0.127 4.199 4.350 -0.041 0.000 0.192 15 E C 2.364 178.958 176.600 -0.009 0.000 0.987 15 E CA 1.709 58.098 56.400 -0.019 0.000 0.841 15 E CB -0.283 29.403 29.700 -0.023 0.000 0.783 15 E HN -0.467 7.761 8.360 -0.000 0.132 0.481 16 R N -2.223 118.287 120.500 0.015 0.000 2.133 16 R HA -0.335 4.009 4.340 0.007 0.000 0.247 16 R C 2.247 178.573 176.300 0.043 0.000 1.151 16 R CA 3.340 59.455 56.100 0.024 0.000 0.971 16 R CB -0.564 29.755 30.300 0.031 0.000 0.866 16 R HN -0.607 7.673 8.270 0.017 0.000 0.447 17 H N -0.795 118.258 119.070 -0.028 0.000 2.320 17 H HA 0.002 4.548 4.556 -0.017 0.000 0.309 17 H C 1.843 177.154 175.328 -0.029 0.000 1.057 17 H CA 2.269 58.301 56.048 -0.026 0.000 1.374 17 H CB 0.204 29.946 29.762 -0.034 0.000 1.421 17 H HN -0.692 7.658 8.280 0.141 0.015 0.532 18 L N -1.020 120.013 121.223 -0.315 0.000 2.197 18 L HA -0.497 3.519 4.340 -0.540 0.000 0.215 18 L C 1.736 178.457 176.870 -0.249 0.000 1.095 18 L CA 3.059 57.692 54.840 -0.344 0.000 0.764 18 L CB -0.527 41.438 42.059 -0.157 0.000 0.897 18 L HN -0.571 7.645 8.230 -0.022 0.000 0.436 19 S N -0.628 114.974 115.700 -0.163 0.000 2.354 19 S HA -0.336 4.227 4.470 -0.086 -0.145 0.219 19 S C 1.779 176.316 174.600 -0.105 0.000 1.035 19 S CA 3.585 61.724 58.200 -0.102 0.000 1.037 19 S CB -0.071 63.094 63.200 -0.058 0.000 0.956 19 S HN 0.257 8.447 8.310 -0.132 0.041 0.428 20 K N 0.601 120.933 120.400 -0.114 0.000 2.160 20 K HA -0.335 3.956 4.320 -0.048 0.000 0.206 20 K C 2.442 178.989 176.600 -0.090 0.000 1.047 20 K CA 2.627 58.865 56.287 -0.081 0.000 0.930 20 K CB -0.799 31.669 32.500 -0.054 0.000 0.720 20 K HN -0.565 7.615 8.250 -0.117 0.000 0.450 21 M N -0.811 118.681 119.600 -0.179 0.000 2.132 21 M HA -0.329 4.118 4.480 -0.055 0.000 0.263 21 M C 2.454 178.719 176.300 -0.059 0.000 1.065 21 M CA 3.820 59.043 55.300 -0.128 0.000 1.122 21 M CB -0.084 32.376 32.600 -0.233 0.000 1.365 21 M HN -0.585 7.411 8.290 -0.289 0.120 0.411 22 Q N -2.820 116.935 119.800 -0.074 0.000 2.230 22 Q HA -0.180 4.324 4.340 -0.026 -0.180 0.202 22 Q C 2.067 178.063 176.000 -0.007 0.000 0.963 22 Q CA 2.222 58.003 55.803 -0.037 0.000 0.866 22 Q CB 0.073 28.781 28.738 -0.049 0.000 0.931 22 Q HN -0.355 7.759 8.270 -0.111 0.089 0.452 23 Q N -1.915 117.878 119.800 -0.013 0.000 1.946 23 Q HA -0.204 4.136 4.340 0.000 0.000 0.199 23 Q C 1.262 177.276 176.000 0.024 0.000 0.979 23 Q CA 2.388 58.191 55.803 0.000 0.000 0.834 23 Q CB 0.628 29.360 28.738 -0.011 0.000 0.899 23 Q HN -0.207 7.919 8.270 -0.034 0.124 0.431 24 N N -4.572 114.149 118.700 0.034 0.000 2.517 24 N HA 0.038 4.808 4.740 0.051 0.000 0.202 24 N C 0.184 175.801 175.510 0.178 0.000 1.042 24 N CA 0.417 53.507 53.050 0.066 0.000 0.952 24 N CB 1.735 40.242 38.487 0.033 0.000 1.211 24 N HN -0.335 8.056 8.380 0.017 0.000 0.458 25 G N 0.275 109.171 108.800 0.160 0.000 2.295 25 G HA2 -0.260 3.924 3.960 0.087 0.000 0.195 25 G HA3 -0.260 3.973 3.960 0.455 0.000 0.195 25 G C -2.387 172.661 174.900 0.247 0.000 1.269 25 G CA -0.568 44.666 45.100 0.223 0.000 1.170 25 G HN -0.769 7.570 8.290 0.081 0.000 0.511 26 Y N 4.148 124.532 120.300 0.140 0.000 2.317 26 Y HA 0.232 4.869 4.550 0.146 0.000 0.325 26 Y C -2.408 173.663 175.900 0.285 0.000 1.066 26 Y CA -0.738 57.437 58.100 0.124 0.000 1.203 26 Y CB 2.619 41.078 38.460 -0.003 0.000 1.127 26 Y HN -0.229 8.093 8.280 0.069 0.000 0.451 27 E N 6.476 126.921 120.200 0.408 0.000 2.134 27 E HA 0.150 4.971 4.350 0.599 -0.112 0.278 27 E C -0.813 175.948 176.600 0.268 0.000 0.959 27 E CA -1.547 55.083 56.400 0.383 0.000 0.783 27 E CB 0.840 30.622 29.700 0.137 0.000 1.095 27 E HN 0.045 8.463 8.360 0.097 0.000 0.399 28 N N 6.651 125.525 118.700 0.291 0.000 2.452 28 N HA 0.035 4.963 4.740 0.312 0.000 0.266 28 N C -0.338 175.290 175.510 0.197 0.000 1.209 28 N CA -1.650 51.549 53.050 0.248 0.000 0.929 28 N CB 0.865 39.476 38.487 0.207 0.000 1.063 28 N HN -0.096 8.448 8.380 0.275 0.000 0.472 29 P HA -0.045 4.463 4.420 0.147 0.000 0.216 29 P C 1.338 178.737 177.300 0.165 0.000 1.153 29 P CA 2.061 65.188 63.100 0.045 0.000 0.844 29 P CB 0.694 32.242 31.700 -0.254 0.000 0.787 30 T N 0.644 115.266 114.554 0.113 0.000 2.759 30 T HA -0.370 4.108 4.350 0.213 0.000 0.269 30 T C 1.067 175.931 174.700 0.273 0.000 1.042 30 T CA 4.370 66.579 62.100 0.181 0.000 1.140 30 T CB -0.584 68.337 68.868 0.088 0.000 0.864 30 T HN -0.226 8.231 8.240 0.064 -0.179 0.455 31 Y N 0.053 120.411 120.300 0.096 0.000 2.241 31 Y HA -0.314 4.103 4.550 -0.221 0.000 0.286 31 Y C 1.135 177.114 175.900 0.132 0.000 1.166 31 Y CA 2.942 61.023 58.100 -0.032 0.000 1.203 31 Y CB 0.223 38.665 38.460 -0.030 0.000 0.977 31 Y HN -0.654 7.940 8.280 0.310 -0.128 0.529 32 K N -1.977 118.727 120.400 0.508 0.000 2.335 32 K HA -0.092 4.549 4.320 0.534 0.000 0.195 32 K C 0.929 177.806 176.600 0.462 0.000 1.058 32 K CA 0.866 57.459 56.287 0.511 0.000 0.988 32 K CB 0.896 33.642 32.500 0.409 0.000 0.880 32 K HN -0.497 7.906 8.250 0.496 0.144 0.513 33 F N -1.724 118.370 119.950 0.240 0.000 2.773 33 F HA -0.058 4.525 4.527 0.093 0.000 0.304 33 F C -0.054 175.835 175.800 0.149 0.000 1.129 33 F CA 0.004 58.090 58.000 0.143 0.000 1.378 33 F CB -0.237 38.823 39.000 0.100 0.000 1.095 33 F HN -0.023 8.523 8.300 0.743 0.199 0.565 34 F N -2.453 117.561 119.950 0.107 0.000 2.811 34 F HA 0.138 4.688 4.527 0.038 0.000 0.292 34 F C -0.749 175.042 175.800 -0.014 0.000 1.240 34 F CA -2.735 55.276 58.000 0.019 0.000 1.422 34 F CB -2.038 36.929 39.000 -0.055 0.000 1.045 34 F HN -0.432 8.235 8.300 0.775 0.098 0.512 35 E N 0.344 120.346 120.200 -0.330 0.000 2.166 35 E HA -0.210 3.738 4.350 -0.670 0.000 0.192 35 E C 0.387 176.847 176.600 -0.233 0.000 0.967 35 E CA 0.553 56.706 56.400 -0.412 0.000 0.840 35 E CB -0.355 29.170 29.700 -0.292 0.000 0.795 35 E HN -0.254 7.910 8.360 -0.111 0.130 0.470 36 Q N 1.369 121.098 119.800 -0.119 0.000 2.402 36 Q HA 0.025 4.317 4.340 -0.079 0.000 0.238 36 Q C -1.011 174.965 176.000 -0.040 0.000 1.126 36 Q CA -0.106 55.658 55.803 -0.065 0.000 0.904 36 Q CB -0.211 28.513 28.738 -0.024 0.000 1.357 36 Q HN -0.318 7.902 8.270 -0.082 0.000 0.491 37 M N 3.401 122.969 119.600 -0.052 0.000 2.721 37 M HA 0.163 4.639 4.480 -0.006 0.000 0.271 37 M C -1.003 175.284 176.300 -0.022 0.000 1.259 37 M CA -0.324 54.962 55.300 -0.024 0.000 0.835 37 M CB 3.448 36.040 32.600 -0.013 0.000 1.689 37 M HN -0.062 8.185 8.290 -0.073 0.000 0.470 38 Q N 1.479 121.275 119.800 -0.006 0.000 2.607 38 Q HA 0.218 4.551 4.340 -0.011 0.000 0.247 38 Q C -1.276 174.727 176.000 0.004 0.000 1.033 38 Q CA -0.425 55.376 55.803 -0.004 0.000 0.769 38 Q CB 0.435 29.173 28.738 -0.001 0.000 1.169 38 Q HN 0.290 8.562 8.270 0.002 0.000 0.508 39 N N 2.473 121.175 118.700 0.003 0.000 2.493 39 N HA 0.157 4.910 4.740 0.021 0.000 0.275 39 N C -0.710 174.807 175.510 0.011 0.000 1.186 39 N CA -0.036 53.022 53.050 0.014 0.000 0.978 39 N CB 0.923 39.420 38.487 0.017 0.000 1.184 39 N HN 0.299 8.676 8.380 -0.006 0.000 0.487 40 S N -1.101 114.608 115.700 0.017 0.000 2.568 40 S HA 0.107 4.583 4.470 0.010 0.000 0.293 40 S C 0.053 174.662 174.600 0.016 0.000 1.089 40 S CA -0.333 57.875 58.200 0.014 0.000 0.945 40 S CB 1.695 64.904 63.200 0.015 0.000 1.077 40 S HN -0.044 8.279 8.310 0.022 0.000 0.485 41 G N 2.224 111.031 108.800 0.013 0.000 3.764 41 G HA2 0.266 4.236 3.960 0.016 0.000 0.333 41 G HA3 0.266 4.233 3.960 0.012 0.000 0.333 41 G C -0.869 174.037 174.900 0.011 0.000 1.551 41 G CA 0.169 45.277 45.100 0.013 0.000 0.995 41 G HN 0.298 8.594 8.290 0.010 0.000 0.485 42 S N 1.249 116.956 115.700 0.012 0.000 2.648 42 S HA 0.191 4.667 4.470 0.009 0.000 0.305 42 S C -0.185 174.422 174.600 0.011 0.000 1.094 42 S CA -0.713 57.494 58.200 0.011 0.000 0.983 42 S CB 1.480 64.687 63.200 0.011 0.000 1.101 42 S HN -0.248 8.071 8.310 0.015 0.000 0.514 43 S N 1.421 117.126 115.700 0.010 0.000 2.673 43 S HA -0.165 4.310 4.470 0.010 0.000 0.308 43 S C 0.335 174.941 174.600 0.011 0.000 1.246 43 S CA 1.023 59.229 58.200 0.010 0.000 1.077 43 S CB 0.112 63.317 63.200 0.008 0.000 0.814 43 S HN 0.154 8.470 8.310 0.009 0.000 0.503 44 G N 5.901 114.708 108.800 0.012 0.000 4.918 44 G HA2 -0.065 3.902 3.960 0.012 0.000 0.220 44 G HA3 -0.065 3.904 3.960 0.014 0.000 0.220 44 G C -1.143 173.765 174.900 0.013 0.000 2.090 44 G CA -0.007 45.100 45.100 0.013 0.000 0.632 44 G HN 0.162 8.459 8.290 0.011 0.000 0.234 45 S N 1.505 117.212 115.700 0.011 0.000 2.714 45 S HA -0.133 4.344 4.470 0.011 0.000 0.318 45 S C -0.231 174.376 174.600 0.011 0.000 1.219 45 S CA 1.895 60.101 58.200 0.010 0.000 1.175 45 S CB -0.043 63.162 63.200 0.009 0.000 0.961 45 S HN 0.085 8.402 8.310 0.010 0.000 0.518 46 S N 4.245 119.952 115.700 0.012 0.000 2.567 46 S HA 0.090 4.566 4.470 0.010 0.000 0.270 46 S C -0.135 174.472 174.600 0.012 0.000 1.152 46 S CA 0.349 58.556 58.200 0.012 0.000 0.835 46 S CB 1.081 64.289 63.200 0.014 0.000 1.115 46 S HN 0.039 8.356 8.310 0.013 0.000 0.459 47 G N 2.106 110.913 108.800 0.011 0.000 4.420 47 G HA2 0.246 4.213 3.960 0.011 0.000 0.299 47 G HA3 0.246 4.211 3.960 0.007 0.000 0.299 47 G C -1.315 173.592 174.900 0.011 0.000 1.343 47 G CA 0.314 45.420 45.100 0.010 0.000 1.272 47 G HN 0.199 8.495 8.290 0.010 0.000 0.610 48 S N 0.387 116.097 115.700 0.015 0.000 2.565 48 S HA 0.094 4.573 4.470 0.014 0.000 0.274 48 S C -0.552 174.065 174.600 0.028 0.000 1.144 48 S CA 0.035 58.245 58.200 0.018 0.000 0.849 48 S CB 1.773 64.982 63.200 0.015 0.000 1.103 48 S HN -0.754 7.500 8.310 0.018 0.067 0.455 49 S N 5.457 121.179 115.700 0.036 0.000 3.456 49 S HA 0.053 4.554 4.470 0.051 0.000 0.229 49 S C 0.062 174.692 174.600 0.050 0.000 1.416 49 S CA -1.039 57.193 58.200 0.053 0.000 1.197 49 S CB -1.121 62.127 63.200 0.080 0.000 1.201 49 S HN 0.309 8.638 8.310 0.030 0.000 0.479 50 G N 2.124 110.946 108.800 0.037 0.000 2.498 50 G HA2 -0.287 3.690 3.960 0.028 0.000 0.245 50 G HA3 -0.287 3.695 3.960 0.038 0.000 0.245 50 G C -1.430 173.489 174.900 0.031 0.000 1.204 50 G CA -0.156 44.964 45.100 0.034 0.000 0.933 50 G HN -0.212 7.995 8.290 0.032 0.102 0.574 51 S N 0.055 115.774 115.700 0.032 0.000 2.568 51 S HA 0.226 4.712 4.470 0.027 0.000 0.293 51 S C 0.136 174.757 174.600 0.035 0.000 1.089 51 S CA -0.703 57.514 58.200 0.029 0.000 0.945 51 S CB 1.241 64.455 63.200 0.023 0.000 1.077 51 S HN -0.027 8.303 8.310 0.033 0.000 0.485 52 S N 3.945 119.665 115.700 0.033 0.000 2.591 52 S HA 0.055 4.551 4.470 0.044 0.000 0.235 52 S C 0.502 175.119 174.600 0.030 0.000 1.074 52 S CA 0.229 58.451 58.200 0.038 0.000 0.925 52 S CB 0.265 63.490 63.200 0.042 0.000 0.818 52 S HN 0.199 8.526 8.310 0.029 0.000 0.535 53 G N 1.630 110.445 108.800 0.024 0.000 2.568 53 G HA2 -0.239 3.732 3.960 0.018 0.000 0.222 53 G HA3 -0.239 3.733 3.960 0.020 0.000 0.222 53 G C -2.806 172.106 174.900 0.019 0.000 1.321 53 G CA -0.921 44.191 45.100 0.020 0.000 0.893 53 G HN -0.050 8.254 8.290 0.024 0.000 0.569 54 P HA 0.141 4.570 4.420 0.015 0.000 0.272 54 P C -1.173 176.136 177.300 0.016 0.000 1.230 54 P CA -0.559 62.550 63.100 0.015 0.000 0.788 54 P CB 0.442 32.149 31.700 0.012 0.000 0.949 55 T N 0.271 114.834 114.554 0.015 0.000 2.907 55 T HA 0.073 4.434 4.350 0.018 0.000 0.298 55 T C -0.565 174.142 174.700 0.011 0.000 1.017 55 T CA -2.082 60.027 62.100 0.014 0.000 1.118 55 T CB -0.349 68.527 68.868 0.013 0.000 0.948 55 T HN -0.082 8.166 8.240 0.013 0.000 0.531 56 P HA 0.086 4.511 4.420 0.008 0.000 0.274 56 P C -0.707 176.595 177.300 0.004 0.000 1.260 56 P CA -0.539 62.566 63.100 0.008 0.000 0.793 56 P CB 0.833 32.538 31.700 0.008 0.000 1.048 57 K N -0.865 119.536 120.400 0.002 0.000 2.098 57 K HA 0.180 4.500 4.320 -0.001 0.000 0.244 57 K C -0.393 176.205 176.600 -0.004 0.000 1.014 57 K CA -0.410 55.877 56.287 -0.001 0.000 0.917 57 K CB 0.251 32.750 32.500 -0.002 0.000 1.072 57 K HN 0.068 8.319 8.250 0.002 0.000 0.477 58 T N 0.281 114.831 114.554 -0.007 0.000 2.977 58 T HA 0.217 4.561 4.350 -0.010 0.000 0.345 58 T C -0.677 174.015 174.700 -0.013 0.000 1.562 58 T CA -0.055 62.039 62.100 -0.010 0.000 1.090 58 T CB 1.102 69.963 68.868 -0.012 0.000 1.383 58 T HN -0.236 8.000 8.240 -0.007 0.000 0.484 59 E N 3.621 123.813 120.200 -0.014 0.000 2.206 59 E HA 0.113 4.453 4.350 -0.016 0.000 0.195 59 E C -0.634 175.953 176.600 -0.021 0.000 0.935 59 E CA 0.183 56.573 56.400 -0.016 0.000 0.875 59 E CB 0.638 30.329 29.700 -0.015 0.000 0.841 59 E HN 0.177 8.529 8.360 -0.014 0.000 0.477 60 L N 0.204 121.414 121.223 -0.022 0.000 2.343 60 L HA 0.259 4.581 4.340 -0.030 0.000 0.275 60 L C -1.934 174.918 176.870 -0.030 0.000 1.056 60 L CA 0.142 54.966 54.840 -0.027 0.000 0.804 60 L CB 1.455 43.499 42.059 -0.024 0.000 1.203 60 L HN -0.105 8.114 8.230 -0.019 0.000 0.440 61 V N 2.076 121.967 119.914 -0.040 0.000 3.036 61 V HA 0.175 4.275 4.120 -0.034 0.000 0.280 61 V C -2.440 173.609 176.094 -0.075 0.000 1.497 61 V CA -0.209 62.064 62.300 -0.045 0.000 0.982 61 V CB 1.836 33.634 31.823 -0.041 0.000 1.171 61 V HN -0.080 8.083 8.190 -0.045 0.000 0.444 62 Q N 6.581 126.334 119.800 -0.078 0.000 2.340 62 Q HA 0.297 4.487 4.340 -0.251 0.000 0.268 62 Q C -1.535 174.313 176.000 -0.254 0.000 1.031 62 Q CA -1.083 54.603 55.803 -0.195 0.000 0.804 62 Q CB 3.123 31.805 28.738 -0.094 0.000 1.286 62 Q HN 0.253 8.502 8.270 -0.036 0.000 0.448 63 K N 3.467 123.605 120.400 -0.438 0.000 2.358 63 K HA 0.865 5.366 4.320 -0.131 -0.260 0.260 63 K C -0.597 175.691 176.600 -0.520 0.000 0.956 63 K CA -0.844 55.258 56.287 -0.308 0.000 0.834 63 K CB 1.647 34.047 32.500 -0.168 0.000 1.102 63 K HN 0.251 8.207 8.250 -0.490 0.000 0.431 64 F N 3.789 123.719 119.950 -0.034 0.000 2.507 64 F HA 0.186 4.704 4.527 -0.015 0.000 0.325 64 F C -0.722 175.086 175.800 0.014 0.000 1.116 64 F CA -1.380 56.606 58.000 -0.023 0.000 0.930 64 F CB 3.664 42.628 39.000 -0.060 0.000 1.146 64 F HN 0.515 8.900 8.300 0.142 0.000 0.447 65 R N 6.125 126.740 120.500 0.191 0.000 2.248 65 R HA 0.056 4.486 4.340 0.151 0.000 0.337 65 R C -1.215 175.212 176.300 0.212 0.000 1.085 65 R CA 0.421 56.621 56.100 0.168 0.000 0.934 65 R CB -0.341 30.037 30.300 0.129 0.000 1.034 65 R HN 0.588 8.962 8.270 0.172 0.000 0.465 66 V N 1.607 121.658 119.914 0.228 0.000 3.141 66 V HA 0.824 5.191 4.120 0.303 -0.066 0.312 66 V C -2.408 173.883 176.094 0.328 0.000 1.157 66 V CA -3.496 58.974 62.300 0.282 0.000 1.041 66 V CB 3.509 35.486 31.823 0.256 0.000 1.071 66 V HN 0.429 8.746 8.190 0.212 0.000 0.441 67 Q N -1.632 118.406 119.800 0.396 0.000 2.248 67 Q HA 0.652 5.346 4.340 0.358 -0.139 0.263 67 Q C -0.868 175.340 176.000 0.347 0.000 1.007 67 Q CA -1.476 54.562 55.803 0.391 0.000 0.877 67 Q CB 3.824 32.832 28.738 0.450 0.000 1.315 67 Q HN 0.180 8.718 8.270 0.447 0.000 0.454 68 Y N 1.278 121.685 120.300 0.177 0.000 2.341 68 Y HA 0.077 4.487 4.550 -0.234 0.000 0.337 68 Y C -1.702 174.060 175.900 -0.230 0.000 1.014 68 Y CA 0.068 58.131 58.100 -0.061 0.000 1.111 68 Y CB 1.884 40.365 38.460 0.035 0.000 1.194 68 Y HN 0.106 8.635 8.280 0.415 0.000 0.462 69 L N 4.687 125.773 121.223 -0.228 0.000 2.316 69 L HA 0.065 4.058 4.340 -0.578 0.000 0.207 69 L C -0.471 176.347 176.870 -0.086 0.000 1.070 69 L CA 0.499 55.090 54.840 -0.417 0.000 0.820 69 L CB 1.482 43.117 42.059 -0.708 0.000 0.992 69 L HN -0.132 7.720 8.230 -0.630 0.000 0.466 70 G N -5.567 103.283 108.800 0.084 0.000 2.347 70 G HA2 -0.197 3.864 3.960 0.170 0.000 0.477 70 G HA3 -0.197 3.757 3.960 -0.010 0.000 0.477 70 G C -3.273 171.618 174.900 -0.015 0.000 1.349 70 G CA -1.031 44.130 45.100 0.102 0.000 1.000 70 G HN -0.958 7.328 8.290 -0.007 0.000 0.605 71 M N 1.197 120.751 119.600 -0.077 0.000 2.274 71 M HA 0.314 4.527 4.480 -0.672 -0.136 0.344 71 M C -1.792 174.350 176.300 -0.263 0.000 1.161 71 M CA 0.045 55.118 55.300 -0.379 0.000 1.126 71 M CB 1.714 34.080 32.600 -0.390 0.000 1.522 71 M HN 0.142 8.417 8.290 -0.024 0.000 0.461 72 L N 4.348 125.393 121.223 -0.298 0.000 2.476 72 L HA 0.637 4.898 4.340 -0.132 0.000 0.269 72 L C -2.626 174.164 176.870 -0.133 0.000 0.965 72 L CA -3.746 50.990 54.840 -0.173 0.000 0.845 72 L CB 3.355 45.324 42.059 -0.150 0.000 1.259 72 L HN 0.662 8.532 8.230 -0.424 0.107 0.403 73 P HA 0.230 4.635 4.420 -0.025 0.000 0.271 73 P C -0.549 176.752 177.300 0.001 0.000 1.216 73 P CA -0.646 62.434 63.100 -0.033 0.000 0.771 73 P CB 0.263 31.945 31.700 -0.029 0.000 0.864 74 V N -1.269 118.681 119.914 0.059 0.000 3.181 74 V HA 0.340 4.484 4.120 0.040 0.000 0.314 74 V C -0.779 175.401 176.094 0.143 0.000 1.173 74 V CA -2.328 60.021 62.300 0.082 0.000 1.052 74 V CB 2.525 34.396 31.823 0.080 0.000 1.123 74 V HN -0.711 7.535 8.190 0.094 0.000 0.454 75 D N -1.690 118.782 120.400 0.119 0.000 2.423 75 D HA 0.062 4.800 4.640 0.163 0.000 0.212 75 D C -0.287 176.116 176.300 0.171 0.000 1.060 75 D CA 0.402 54.485 54.000 0.139 0.000 0.872 75 D CB 0.997 41.839 40.800 0.070 0.000 1.012 75 D HN 0.012 8.426 8.370 0.073 0.000 0.503 76 R N -1.049 119.489 120.500 0.063 0.000 2.744 76 R HA 0.258 4.551 4.340 -0.079 0.000 0.279 76 R C -1.957 174.142 176.300 -0.336 0.000 0.977 76 R CA -2.123 53.914 56.100 -0.106 0.000 0.906 76 R CB 1.667 31.903 30.300 -0.107 0.000 1.197 76 R HN -0.227 8.072 8.270 0.047 0.000 0.463 77 P HA -0.084 3.832 4.420 -0.840 0.000 0.221 77 P C -1.763 175.293 177.300 -0.407 0.000 1.150 77 P CA 1.178 63.798 63.100 -0.800 0.000 0.800 77 P CB 0.911 31.992 31.700 -1.031 0.000 0.787 78 V N -5.287 114.389 119.914 -0.397 0.000 3.141 78 V HA 0.238 4.041 4.120 -0.527 0.000 0.312 78 V C -1.404 174.355 176.094 -0.560 0.000 1.157 78 V CA -2.779 59.168 62.300 -0.589 0.000 1.041 78 V CB 3.038 34.450 31.823 -0.685 0.000 1.071 78 V HN -0.823 7.104 8.190 -0.386 0.032 0.441 79 G N 1.199 109.451 108.800 -0.914 0.000 3.152 79 G HA2 -0.192 3.515 3.960 -0.421 0.000 0.666 79 G HA3 -0.192 3.611 3.960 -0.261 0.000 0.666 79 G C 0.181 175.022 174.900 -0.098 0.000 1.205 79 G CA -0.245 44.605 45.100 -0.417 0.000 1.178 79 G HN -0.394 6.680 8.290 -2.028 0.000 0.510 80 M N 3.953 123.577 119.600 0.041 0.000 2.151 80 M HA -0.589 4.157 4.480 0.443 0.000 0.256 80 M C 0.824 177.182 176.300 0.098 0.000 1.072 80 M CA 3.977 59.407 55.300 0.217 0.000 1.090 80 M CB -1.357 31.329 32.600 0.144 0.000 1.294 80 M HN 0.684 8.922 8.290 -0.085 0.000 0.415 81 D N -4.112 116.307 120.400 0.032 0.000 2.170 81 D HA -0.367 4.283 4.640 0.017 0.000 0.193 81 D C 2.403 178.712 176.300 0.014 0.000 1.004 81 D CA 3.488 57.496 54.000 0.014 0.000 0.860 81 D CB -1.461 39.335 40.800 -0.005 0.000 0.931 81 D HN 0.517 8.893 8.370 0.011 0.000 0.448 82 T N 2.175 116.736 114.554 0.011 0.000 2.708 82 T HA -0.364 3.987 4.350 0.001 0.000 0.266 82 T C 1.996 176.708 174.700 0.020 0.000 1.037 82 T CA 3.507 65.613 62.100 0.009 0.000 1.146 82 T CB -0.067 68.797 68.868 -0.007 0.000 0.865 82 T HN -0.457 7.672 8.240 -0.001 0.109 0.435 83 L N 2.125 123.384 121.223 0.061 0.000 1.989 83 L HA -0.366 3.964 4.340 -0.017 0.000 0.211 83 L C 1.620 178.477 176.870 -0.022 0.000 1.071 83 L CA 3.330 58.179 54.840 0.016 0.000 0.749 83 L CB -0.055 42.024 42.059 0.033 0.000 0.890 83 L HN -0.395 7.836 8.230 0.119 0.070 0.431 84 N N -3.059 115.641 118.700 0.000 0.000 2.247 84 N HA -0.438 4.291 4.740 -0.018 0.000 0.189 84 N C 1.739 177.243 175.510 -0.009 0.000 1.009 84 N CA 3.358 56.404 53.050 -0.006 0.000 0.872 84 N CB -0.194 38.299 38.487 0.009 0.000 0.980 84 N HN 0.055 8.452 8.380 0.027 0.000 0.436 85 S N 0.151 115.846 115.700 -0.009 0.000 2.355 85 S HA -0.222 4.246 4.470 -0.003 0.000 0.222 85 S C 1.285 175.869 174.600 -0.027 0.000 1.031 85 S CA 3.174 61.368 58.200 -0.011 0.000 0.993 85 S CB -0.290 62.905 63.200 -0.008 0.000 0.859 85 S HN -0.477 7.669 8.310 -0.004 0.162 0.453 86 A N 2.312 125.102 122.820 -0.050 0.000 1.877 86 A HA -0.323 3.952 4.320 -0.076 0.000 0.216 86 A C 1.965 179.496 177.584 -0.088 0.000 1.186 86 A CA 3.099 55.086 52.037 -0.084 0.000 0.620 86 A CB -0.803 18.120 19.000 -0.127 0.000 0.822 86 A HN -0.385 7.649 8.150 -0.047 0.088 0.443 87 I N -1.712 118.808 120.570 -0.083 0.000 2.118 87 I HA -0.708 3.393 4.170 -0.115 0.000 0.241 87 I C 1.962 178.074 176.117 -0.008 0.000 1.070 87 I CA 4.764 66.024 61.300 -0.066 0.000 1.327 87 I CB -0.194 37.781 38.000 -0.042 0.000 1.034 87 I HN -0.534 7.627 8.210 -0.081 0.000 0.405 88 E N -1.449 118.759 120.200 0.013 0.000 2.153 88 E HA -0.397 3.997 4.350 0.074 0.000 0.194 88 E C 2.759 179.379 176.600 0.033 0.000 0.988 88 E CA 3.114 59.539 56.400 0.041 0.000 0.811 88 E CB -0.395 29.326 29.700 0.035 0.000 0.746 88 E HN -0.484 7.876 8.360 0.001 0.000 0.466 89 N N 0.355 119.057 118.700 0.004 0.000 2.039 89 N HA -0.267 4.478 4.740 0.009 0.000 0.193 89 N C 2.176 177.692 175.510 0.009 0.000 1.044 89 N CA 3.210 56.259 53.050 -0.002 0.000 0.847 89 N CB 0.048 38.520 38.487 -0.026 0.000 1.030 89 N HN -0.252 7.999 8.380 -0.012 0.122 0.422 90 L N 0.117 121.329 121.223 -0.018 0.000 2.005 90 L HA -0.268 4.077 4.340 0.008 0.000 0.207 90 L C 2.067 178.998 176.870 0.101 0.000 1.072 90 L CA 2.579 57.415 54.840 -0.007 0.000 0.744 90 L CB -1.151 40.837 42.059 -0.117 0.000 0.895 90 L HN 0.197 8.398 8.230 -0.049 0.000 0.433 91 M N -2.864 116.806 119.600 0.117 0.000 2.116 91 M HA -0.491 4.344 4.480 0.592 0.000 0.255 91 M C 2.265 178.719 176.300 0.257 0.000 1.075 91 M CA 4.185 59.673 55.300 0.314 0.000 1.087 91 M CB 0.011 32.772 32.600 0.267 0.000 1.340 91 M HN 0.220 8.531 8.290 0.036 0.000 0.402 92 T N -6.503 108.137 114.554 0.144 0.000 2.857 92 T HA -0.245 4.159 4.350 0.090 0.000 0.266 92 T C 1.219 175.971 174.700 0.086 0.000 1.048 92 T CA 2.208 64.365 62.100 0.095 0.000 1.139 92 T CB -0.089 68.815 68.868 0.060 0.000 0.874 92 T HN -0.506 7.793 8.240 0.113 0.009 0.455 93 S N 0.860 116.616 115.700 0.094 0.000 2.348 93 S HA -0.093 4.408 4.470 0.051 0.000 0.221 93 S C 0.280 174.944 174.600 0.106 0.000 1.033 93 S CA 2.040 60.287 58.200 0.078 0.000 1.010 93 S CB 0.406 63.643 63.200 0.062 0.000 0.891 93 S HN -0.432 7.833 8.310 0.094 0.102 0.442 94 S N -0.597 115.230 115.700 0.212 0.000 2.568 94 S HA 0.181 4.709 4.470 0.097 0.000 0.302 94 S C -0.850 173.857 174.600 0.178 0.000 1.082 94 S CA -0.289 58.053 58.200 0.237 0.000 1.009 94 S CB 2.812 66.261 63.200 0.416 0.000 1.069 94 S HN -0.068 8.403 8.310 0.269 0.000 0.500 95 S N 2.898 118.468 115.700 -0.216 0.000 2.655 95 S HA 0.117 4.379 4.470 -0.347 0.000 0.265 95 S C 0.837 174.494 174.600 -1.571 0.000 1.240 95 S CA -0.510 57.365 58.200 -0.542 0.000 0.986 95 S CB 1.028 63.988 63.200 -0.401 0.000 0.985 95 S HN 0.061 8.507 8.310 -0.182 -0.246 0.562 96 K N 1.459 120.918 120.400 -1.569 0.000 2.097 96 K HA -0.251 1.309 4.320 -4.601 0.000 0.206 96 K C 0.533 176.291 176.600 -1.403 0.000 1.049 96 K CA 2.750 57.699 56.287 -2.232 0.000 0.933 96 K CB -0.173 31.602 32.500 -1.209 0.000 0.717 96 K HN 0.406 8.092 8.250 -0.941 0.000 0.442 97 E N -4.543 115.163 120.200 -0.824 0.000 2.170 97 E HA -0.191 3.941 4.350 -0.363 0.000 0.191 97 E C 0.269 176.657 176.600 -0.353 0.000 0.981 97 E CA 1.826 57.956 56.400 -0.449 0.000 0.830 97 E CB -0.317 29.204 29.700 -0.298 0.000 0.775 97 E HN -0.175 7.726 8.360 -0.747 0.011 0.470 98 D N -1.365 118.770 120.400 -0.441 0.000 2.228 98 D HA -0.187 4.375 4.640 -0.130 0.000 0.203 98 D C 0.277 176.566 176.300 -0.018 0.000 0.988 98 D CA 1.697 55.569 54.000 -0.214 0.000 0.864 98 D CB -0.157 40.532 40.800 -0.187 0.000 0.928 98 D HN -0.122 7.820 8.370 -0.586 0.076 0.469 99 W N -0.528 120.749 121.300 -0.039 0.000 2.381 99 W HA 0.206 4.944 4.660 0.027 -0.062 0.321 99 W C -1.455 175.085 176.519 0.035 0.000 1.407 99 W CA -3.294 54.056 57.345 0.008 0.000 1.274 99 W CB -1.530 27.935 29.460 0.007 0.000 1.310 99 W HN -0.638 7.127 8.180 -0.641 0.031 0.551 100 P HA 0.063 4.565 4.420 0.137 0.000 0.273 100 P C -0.938 176.502 177.300 0.233 0.000 1.250 100 P CA -0.490 62.724 63.100 0.191 0.000 0.793 100 P CB 1.151 32.939 31.700 0.146 0.000 1.011 101 S N -1.574 114.236 115.700 0.183 0.000 2.554 101 S HA 0.388 4.997 4.470 0.231 0.000 0.278 101 S C -0.561 174.162 174.600 0.206 0.000 1.242 101 S CA -0.724 57.593 58.200 0.194 0.000 1.051 101 S CB 0.873 64.158 63.200 0.142 0.000 0.986 101 S HN 0.068 8.463 8.310 0.141 0.000 0.502 102 V N -0.832 119.223 119.914 0.234 0.000 3.048 102 V HA 0.400 4.724 4.120 0.189 -0.091 0.303 102 V C -2.797 173.413 176.094 0.194 0.000 1.214 102 V CA -1.886 60.554 62.300 0.232 0.000 0.984 102 V CB 3.694 35.724 31.823 0.346 0.000 1.054 102 V HN 0.915 9.251 8.190 0.243 0.000 0.430 103 N N 3.715 122.503 118.700 0.146 0.000 2.426 103 N HA 0.331 5.288 4.740 0.120 -0.145 0.275 103 N C -1.664 173.902 175.510 0.093 0.000 1.019 103 N CA -0.164 52.951 53.050 0.109 0.000 0.941 103 N CB 2.884 41.412 38.487 0.069 0.000 1.123 103 N HN 0.489 8.858 8.380 0.139 0.094 0.486 104 M N 5.322 124.977 119.600 0.092 0.000 2.157 104 M HA 0.146 4.631 4.480 0.009 0.000 0.354 104 M C -2.115 174.221 176.300 0.061 0.000 1.170 104 M CA -0.074 55.253 55.300 0.046 0.000 1.060 104 M CB 2.395 34.999 32.600 0.007 0.000 1.615 104 M HN 0.539 8.905 8.290 0.126 0.000 0.460 105 N N 6.603 125.311 118.700 0.013 0.000 2.400 105 N HA 0.584 5.515 4.740 0.010 -0.185 0.288 105 N C -0.487 175.018 175.510 -0.008 0.000 1.024 105 N CA -0.982 52.071 53.050 0.005 0.000 0.894 105 N CB 2.009 40.491 38.487 -0.008 0.000 1.173 105 N HN -0.024 8.349 8.380 -0.011 0.000 0.487 106 V N 2.740 122.663 119.914 0.015 0.000 2.802 106 V HA 0.368 4.624 4.120 -0.045 -0.163 0.350 106 V C -1.122 174.962 176.094 -0.017 0.000 1.233 106 V CA -2.359 59.939 62.300 -0.004 0.000 1.337 106 V CB -1.694 30.160 31.823 0.051 0.000 1.497 106 V HN 0.182 8.386 8.190 0.022 0.000 0.616 107 A N 0.368 123.173 122.820 -0.024 0.000 2.304 107 A HA 0.125 4.431 4.320 -0.023 0.000 0.301 107 A C -0.723 176.846 177.584 -0.025 0.000 1.132 107 A CA -1.342 50.681 52.037 -0.024 0.000 0.819 107 A CB 1.585 20.573 19.000 -0.021 0.000 1.094 107 A HN -0.486 7.589 8.150 -0.025 0.060 0.492 108 D N 1.850 122.236 120.400 -0.023 0.000 2.686 108 D HA -0.436 4.191 4.640 -0.021 0.000 0.235 108 D C -0.457 175.826 176.300 -0.029 0.000 1.160 108 D CA 0.910 54.898 54.000 -0.021 0.000 0.645 108 D CB -0.731 40.060 40.800 -0.014 0.000 1.039 108 D HN 0.766 9.123 8.370 -0.022 0.000 0.423 109 A N -6.973 115.824 122.820 -0.038 0.000 2.744 109 A HA -0.532 3.749 4.320 -0.065 0.000 0.300 109 A C -1.684 175.865 177.584 -0.059 0.000 1.512 109 A CA 1.372 53.377 52.037 -0.053 0.000 0.851 109 A CB -0.795 18.176 19.000 -0.048 0.000 0.987 109 A HN 0.449 8.578 8.150 -0.036 -0.001 0.507 110 T N -1.291 113.231 114.554 -0.053 0.000 2.856 110 T HA 0.310 4.628 4.350 -0.053 0.000 0.283 110 T C -1.521 173.130 174.700 -0.082 0.000 1.008 110 T CA -0.305 61.764 62.100 -0.052 0.000 0.997 110 T CB 2.533 71.390 68.868 -0.019 0.000 0.992 110 T HN -0.302 7.749 8.240 -0.046 0.161 0.454 111 V N 6.950 126.791 119.914 -0.121 0.000 2.370 111 V HA 0.567 4.813 4.120 -0.154 -0.218 0.279 111 V C -0.954 175.070 176.094 -0.118 0.000 1.029 111 V CA -1.091 61.102 62.300 -0.178 0.000 0.870 111 V CB 0.964 32.566 31.823 -0.370 0.000 0.984 111 V HN 0.613 8.737 8.190 -0.109 0.000 0.451 112 T N 9.783 124.291 114.554 -0.077 0.000 2.963 112 T HA 0.492 5.021 4.350 -0.013 -0.187 0.328 112 T C -0.530 174.171 174.700 0.002 0.000 1.048 112 T CA -0.649 61.437 62.100 -0.023 0.000 1.033 112 T CB 1.388 70.255 68.868 -0.003 0.000 1.010 112 T HN 0.043 8.236 8.240 -0.079 0.000 0.469 113 V N 8.464 128.401 119.914 0.039 0.000 2.393 113 V HA -0.246 3.909 4.120 0.059 0.000 0.257 113 V C -1.449 174.728 176.094 0.138 0.000 1.040 113 V CA 1.093 63.459 62.300 0.111 0.000 1.097 113 V CB -0.992 30.996 31.823 0.275 0.000 1.101 113 V HN 0.911 9.128 8.190 0.045 0.000 0.479 114 I N 7.953 128.585 120.570 0.103 0.000 2.581 114 I HA 0.159 4.523 4.170 0.084 -0.143 0.288 114 I C 0.084 176.272 176.117 0.118 0.000 1.047 114 I CA -2.297 59.059 61.300 0.092 0.000 1.374 114 I CB 0.190 38.226 38.000 0.059 0.000 1.423 114 I HN 0.948 9.207 8.210 0.081 0.000 0.549 115 S N 3.755 119.515 115.700 0.100 0.000 2.548 115 S HA -0.098 4.451 4.470 0.133 0.000 0.277 115 S C 0.198 174.850 174.600 0.087 0.000 1.315 115 S CA 0.126 58.386 58.200 0.101 0.000 1.050 115 S CB 1.216 64.461 63.200 0.075 0.000 0.918 115 S HN 0.044 8.403 8.310 0.081 0.000 0.497 116 E N 8.692 128.951 120.200 0.098 0.000 2.106 116 E HA -0.233 4.163 4.350 0.077 0.000 0.192 116 E C 0.887 177.523 176.600 0.060 0.000 0.984 116 E CA 2.019 58.469 56.400 0.082 0.000 0.806 116 E CB 0.285 30.043 29.700 0.096 0.000 0.750 116 E HN 0.108 8.538 8.360 0.118 0.000 0.458 117 K N -3.498 116.936 120.400 0.057 0.000 2.097 117 K HA -0.176 4.167 4.320 0.039 0.000 0.205 117 K C -0.265 176.357 176.600 0.035 0.000 1.050 117 K CA 1.299 57.611 56.287 0.042 0.000 0.938 117 K CB 0.151 32.674 32.500 0.038 0.000 0.718 117 K HN -0.444 7.846 8.250 0.065 0.000 0.442 118 N N -2.248 116.475 118.700 0.039 0.000 2.430 118 N HA 0.196 4.952 4.740 0.027 0.000 0.290 118 N C -0.820 174.711 175.510 0.035 0.000 1.063 118 N CA -0.925 52.144 53.050 0.032 0.000 0.883 118 N CB 2.212 40.716 38.487 0.028 0.000 1.465 118 N HN -0.604 7.720 8.380 0.047 0.084 0.493 119 E N 3.041 123.258 120.200 0.028 0.000 2.072 119 E HA -0.320 4.049 4.350 0.032 0.000 0.191 119 E C 1.056 177.671 176.600 0.025 0.000 0.985 119 E CA 2.877 59.293 56.400 0.026 0.000 0.801 119 E CB 0.398 30.108 29.700 0.017 0.000 0.750 119 E HN 0.587 8.961 8.360 0.023 0.000 0.452 120 E N -2.389 117.824 120.200 0.021 0.000 2.424 120 E HA -0.030 4.332 4.350 0.019 0.000 0.237 120 E C -0.774 175.841 176.600 0.024 0.000 1.381 120 E CA -0.235 56.177 56.400 0.020 0.000 1.587 120 E CB -1.686 28.023 29.700 0.015 0.000 1.398 120 E HN 0.201 8.572 8.360 0.020 0.000 0.439 121 E N 0.736 120.955 120.200 0.032 0.000 2.675 121 E HA 0.210 4.579 4.350 0.031 0.000 0.236 121 E C -1.478 175.151 176.600 0.048 0.000 1.059 121 E CA -1.169 55.253 56.400 0.036 0.000 0.775 121 E CB 1.560 31.282 29.700 0.038 0.000 1.356 121 E HN -0.455 7.802 8.360 0.034 0.123 0.403 122 V N 6.469 126.409 119.914 0.044 0.000 2.377 122 V HA -0.304 3.853 4.120 0.061 0.000 0.254 122 V C -0.002 176.131 176.094 0.066 0.000 1.060 122 V CA 1.398 63.730 62.300 0.053 0.000 1.068 122 V CB -0.385 31.462 31.823 0.040 0.000 1.113 122 V HN 0.392 8.603 8.190 0.035 0.000 0.484 123 L N 8.098 129.379 121.223 0.097 0.000 2.017 123 L HA -0.160 4.222 4.340 0.070 0.000 0.208 123 L C 0.143 177.087 176.870 0.124 0.000 1.073 123 L CA 2.103 57.010 54.840 0.112 0.000 0.745 123 L CB 0.301 42.466 42.059 0.176 0.000 0.894 123 L HN 0.553 8.849 8.230 0.111 0.000 0.432 124 V N -4.242 115.763 119.914 0.151 0.000 2.851 124 V HA 0.099 4.270 4.120 0.085 0.000 0.307 124 V C -2.146 173.991 176.094 0.071 0.000 1.129 124 V CA -0.726 61.646 62.300 0.120 0.000 0.932 124 V CB 3.581 35.511 31.823 0.179 0.000 1.024 124 V HN -0.758 7.526 8.190 0.158 0.000 0.426 125 E N 6.538 126.761 120.200 0.038 0.000 2.145 125 E HA 0.294 4.768 4.350 0.014 -0.116 0.262 125 E C -1.502 175.103 176.600 0.008 0.000 0.883 125 E CA -0.961 55.451 56.400 0.019 0.000 0.748 125 E CB 1.228 30.939 29.700 0.019 0.000 1.140 125 E HN 0.220 8.600 8.360 0.033 0.000 0.417 126 C N 6.059 125.357 119.300 -0.003 0.000 2.634 126 C HA 0.270 4.760 4.460 0.049 0.000 0.313 126 C C -1.959 173.062 174.990 0.051 0.000 1.198 126 C CA -2.472 56.558 59.018 0.020 0.000 1.605 126 C CB 3.245 30.959 27.740 -0.043 0.000 2.196 126 C HN 1.219 9.429 8.230 -0.033 0.000 0.486 127 R N 4.207 124.851 120.500 0.240 0.000 2.637 127 R HA 0.297 4.673 4.340 0.060 0.000 0.291 127 R C 0.849 177.208 176.300 0.098 0.000 0.963 127 R CA -2.555 53.653 56.100 0.180 0.000 0.901 127 R CB 1.947 32.404 30.300 0.262 0.000 1.160 127 R HN 0.369 8.902 8.270 0.439 0.000 0.457 128 V N 1.621 121.527 119.914 -0.014 0.000 2.660 128 V HA -0.399 3.691 4.120 -0.050 0.000 0.257 128 V C 0.366 176.448 176.094 -0.020 0.000 1.088 128 V CA 2.925 65.202 62.300 -0.037 0.000 1.106 128 V CB -0.487 31.299 31.823 -0.062 0.000 0.686 128 V HN 0.055 8.226 8.190 -0.032 0.000 0.481 129 R N -1.954 118.486 120.500 -0.100 0.000 2.066 129 R HA -0.255 4.010 4.340 -0.125 0.000 0.232 129 R C 1.196 177.375 176.300 -0.201 0.000 1.131 129 R CA 2.909 58.872 56.100 -0.228 0.000 0.955 129 R CB -0.262 29.759 30.300 -0.465 0.000 0.851 129 R HN -0.094 8.065 8.270 -0.103 0.049 0.432 130 F N -3.436 116.559 119.950 0.075 0.000 2.259 130 F HA -0.151 4.444 4.527 0.113 0.000 0.298 130 F C 1.256 177.183 175.800 0.212 0.000 1.088 130 F CA 1.318 59.396 58.000 0.131 0.000 1.358 130 F CB 0.101 39.171 39.000 0.117 0.000 1.040 130 F HN -0.760 7.381 8.300 -0.128 0.082 0.505 131 L N -0.161 121.237 121.223 0.292 0.000 2.601 131 L HA -0.382 4.245 4.340 0.238 -0.145 0.277 131 L C -0.343 176.624 176.870 0.163 0.000 1.219 131 L CA 0.770 55.728 54.840 0.197 0.000 0.915 131 L CB 0.555 42.654 42.059 0.067 0.000 1.160 131 L HN -0.569 7.705 8.230 0.233 0.096 0.494 132 S N 5.028 120.734 115.700 0.009 0.000 2.527 132 S HA 0.076 4.243 4.470 -0.505 0.000 0.225 132 S C -0.655 173.897 174.600 -0.080 0.000 1.046 132 S CA 1.147 59.103 58.200 -0.407 0.000 0.929 132 S CB 1.751 64.373 63.200 -0.964 0.000 0.851 132 S HN 0.676 9.029 8.310 0.071 0.000 0.565 133 F N 1.537 121.383 119.950 -0.173 0.000 2.588 133 F HA 0.825 5.478 4.527 -0.022 -0.140 0.314 133 F C -2.448 173.344 175.800 -0.013 0.000 1.069 133 F CA -1.494 56.458 58.000 -0.080 0.000 0.931 133 F CB 4.730 43.649 39.000 -0.135 0.000 1.260 133 F HN -0.944 7.385 8.300 0.048 0.000 0.465 134 M N 1.340 120.447 119.600 -0.820 0.000 2.307 134 M HA 0.780 5.042 4.480 -0.624 -0.156 0.279 134 M C -2.444 173.435 176.300 -0.702 0.000 1.080 134 M CA -0.372 54.550 55.300 -0.630 0.000 0.964 134 M CB 3.934 36.420 32.600 -0.190 0.000 1.825 134 M HN 0.409 8.001 8.290 -1.163 0.000 0.489 135 G N 0.731 109.189 108.800 -0.570 0.000 2.606 135 G HA2 0.502 4.399 3.960 -0.104 0.000 0.300 135 G HA3 0.502 4.244 3.960 -0.363 0.000 0.300 135 G C -3.252 171.575 174.900 -0.122 0.000 1.360 135 G CA -0.122 44.809 45.100 -0.282 0.000 0.783 135 G HN -0.265 7.656 8.290 -0.615 0.000 0.484 136 V N -0.224 119.658 119.914 -0.054 0.000 2.483 136 V HA 0.614 4.882 4.120 -0.012 -0.155 0.295 136 V C 0.143 176.202 176.094 -0.058 0.000 1.035 136 V CA -1.724 60.553 62.300 -0.038 0.000 0.896 136 V CB 2.407 34.198 31.823 -0.053 0.000 0.986 136 V HN 0.257 8.410 8.190 -0.061 0.000 0.447 137 G N 3.578 112.340 108.800 -0.063 0.000 2.514 137 G HA2 0.180 4.124 3.960 -0.028 0.000 0.245 137 G HA3 0.180 4.117 3.960 -0.039 0.000 0.245 137 G C -0.484 174.399 174.900 -0.029 0.000 1.488 137 G CA -0.416 44.660 45.100 -0.040 0.000 1.063 137 G HN -0.087 8.159 8.290 -0.074 0.000 0.557 138 K N -0.975 119.422 120.400 -0.005 0.000 2.063 138 K HA -0.194 4.127 4.320 0.002 0.000 0.208 138 K C 0.206 176.809 176.600 0.004 0.000 1.048 138 K CA 2.006 58.298 56.287 0.008 0.000 0.928 138 K CB -0.079 32.441 32.500 0.032 0.000 0.713 138 K HN -0.139 8.201 8.250 0.004 -0.087 0.442 139 D N -2.236 118.168 120.400 0.006 0.000 2.253 139 D HA 0.151 4.812 4.640 0.035 0.000 0.249 139 D C 1.225 177.444 176.300 -0.135 0.000 1.049 139 D CA -0.582 53.420 54.000 0.003 0.000 0.929 139 D CB 1.853 42.711 40.800 0.098 0.000 1.176 139 D HN -0.586 7.782 8.370 0.011 0.008 0.437 140 V N -2.683 117.076 119.914 -0.259 0.000 3.306 140 V HA -0.110 3.844 4.120 -0.277 0.000 0.264 140 V C -0.779 174.943 176.094 -0.620 0.000 1.149 140 V CA 2.327 64.370 62.300 -0.429 0.000 1.143 140 V CB 0.153 31.689 31.823 -0.478 0.000 0.767 140 V HN 0.283 8.355 8.190 -0.197 0.000 0.476 141 H N -1.890 116.894 119.070 -0.476 0.000 2.505 141 H HA 0.425 4.596 4.556 -0.642 0.000 0.289 141 H C -0.786 173.840 175.328 -1.170 0.000 1.052 141 H CA -1.860 53.625 56.048 -0.939 0.000 1.156 141 H CB -1.213 27.741 29.762 -1.347 0.000 1.507 141 H HN -0.077 7.892 8.280 -0.421 0.059 0.548 142 T N -1.895 112.361 114.554 -0.498 0.000 2.864 142 T HA 0.269 4.447 4.350 -0.286 0.000 0.310 142 T C -2.101 172.554 174.700 -0.075 0.000 1.040 142 T CA -1.106 60.830 62.100 -0.272 0.000 0.977 142 T CB 0.719 69.493 68.868 -0.157 0.000 0.976 142 T HN -0.712 7.214 8.240 -0.374 0.089 0.459 143 F N 9.180 129.036 119.950 -0.158 0.000 2.493 143 F HA 0.612 5.202 4.527 -0.125 -0.138 0.329 143 F C -3.336 172.459 175.800 -0.008 0.000 1.126 143 F CA -2.138 55.805 58.000 -0.095 0.000 0.937 143 F CB 3.573 42.516 39.000 -0.096 0.000 1.146 143 F HN 0.151 8.497 8.300 0.076 0.000 0.442 144 A N 6.669 128.975 122.820 -0.858 0.000 2.454 144 A HA 1.065 5.234 4.320 -0.542 -0.174 0.302 144 A C -2.638 174.454 177.584 -0.821 0.000 1.079 144 A CA -2.013 49.599 52.037 -0.710 0.000 0.731 144 A CB 3.881 22.633 19.000 -0.413 0.000 1.299 144 A HN -0.025 7.637 8.150 -0.813 0.000 0.413 145 F N -3.134 116.535 119.950 -0.467 0.000 2.557 145 F HA 0.817 5.239 4.527 -0.409 -0.140 0.316 145 F C -2.289 173.468 175.800 -0.072 0.000 1.141 145 F CA -2.464 55.343 58.000 -0.321 0.000 0.922 145 F CB 2.456 41.304 39.000 -0.254 0.000 1.194 145 F HN -0.062 7.703 8.300 -0.892 0.000 0.443 146 I N 4.174 124.810 120.570 0.111 0.000 2.353 146 I HA 0.385 4.813 4.170 0.096 -0.200 0.293 146 I C -0.618 175.652 176.117 0.255 0.000 0.992 146 I CA -0.906 60.474 61.300 0.132 0.000 1.268 146 I CB 1.766 39.796 38.000 0.049 0.000 1.387 146 I HN 0.473 8.721 8.210 0.063 0.000 0.478 147 M N 3.858 123.656 119.600 0.331 0.000 2.796 147 M HA 0.592 5.418 4.480 0.355 -0.133 0.303 147 M C -2.315 174.227 176.300 0.402 0.000 1.240 147 M CA -1.870 53.653 55.300 0.372 0.000 0.831 147 M CB 3.997 36.833 32.600 0.393 0.000 1.750 147 M HN -0.070 8.406 8.290 0.310 0.000 0.484 148 D N -1.089 119.573 120.400 0.437 0.000 2.414 148 D HA 0.518 5.644 4.640 0.498 -0.186 0.232 148 D C 1.187 177.613 176.300 0.210 0.000 1.070 148 D CA -1.412 52.850 54.000 0.436 0.000 0.839 148 D CB 1.520 42.645 40.800 0.541 0.000 1.079 148 D HN -0.136 8.513 8.370 0.465 0.000 0.521 149 T N 3.920 118.541 114.554 0.110 0.000 3.107 149 T HA 0.087 4.392 4.350 -0.075 0.000 0.249 149 T C 0.385 175.089 174.700 0.006 0.000 1.096 149 T CA -0.631 61.471 62.100 0.004 0.000 1.012 149 T CB 0.929 69.798 68.868 0.002 0.000 0.977 149 T HN -0.176 8.139 8.240 0.125 0.000 0.527 150 G N 1.370 110.194 108.800 0.039 0.000 2.619 150 G HA2 -0.166 3.836 3.960 0.070 0.000 0.686 150 G HA3 -0.166 3.813 3.960 0.031 0.000 0.686 150 G C -0.970 173.916 174.900 -0.024 0.000 1.256 150 G CA -0.646 44.474 45.100 0.032 0.000 0.826 150 G HN -0.640 7.838 8.290 0.073 -0.144 0.619 151 N N -0.718 117.977 118.700 -0.009 0.000 2.754 151 N HA -0.446 4.289 4.740 -0.009 0.000 0.248 151 N C -0.729 174.720 175.510 -0.101 0.000 1.093 151 N CA 0.930 53.959 53.050 -0.036 0.000 0.699 151 N CB -0.616 37.847 38.487 -0.041 0.000 1.016 151 N HN 0.420 8.815 8.380 0.024 0.000 0.552 152 Q N -9.082 110.654 119.800 -0.107 0.000 2.475 152 Q HA -0.426 3.837 4.340 -0.128 0.000 0.280 152 Q C -1.351 174.199 176.000 -0.750 0.000 1.234 152 Q CA 1.199 56.849 55.803 -0.255 0.000 0.873 152 Q CB -1.721 26.960 28.738 -0.095 0.000 1.256 152 Q HN 0.305 8.548 8.270 -0.024 0.013 0.475 153 R N -1.669 118.439 120.500 -0.653 0.000 2.393 153 R HA 0.229 4.132 4.340 -0.728 0.000 0.310 153 R C -1.869 174.062 176.300 -0.615 0.000 0.968 153 R CA -1.397 54.319 56.100 -0.639 0.000 0.867 153 R CB 1.615 31.768 30.300 -0.245 0.000 1.124 153 R HN -0.735 7.205 8.270 -0.357 0.116 0.450 154 F N 1.958 121.940 119.950 0.053 0.000 2.518 154 F HA 0.760 5.568 4.527 0.089 -0.227 0.323 154 F C -0.383 175.425 175.800 0.013 0.000 1.129 154 F CA -2.261 55.772 58.000 0.056 0.000 0.920 154 F CB 2.734 41.763 39.000 0.049 0.000 1.160 154 F HN 0.489 8.538 8.300 -0.419 0.000 0.440 155 E N 2.014 122.324 120.200 0.183 0.000 2.129 155 E HA 0.298 4.619 4.350 -0.048 0.000 0.268 155 E C -1.395 175.161 176.600 -0.074 0.000 0.900 155 E CA -1.238 55.169 56.400 0.011 0.000 0.755 155 E CB 2.699 32.425 29.700 0.043 0.000 1.117 155 E HN 0.082 8.593 8.360 0.253 0.000 0.410 156 C N 6.934 126.111 119.300 -0.205 0.000 2.256 156 C HA 0.121 4.599 4.460 -0.203 -0.140 0.333 156 C C -1.010 173.693 174.990 -0.479 0.000 1.183 156 C CA -1.562 57.299 59.018 -0.261 0.000 1.692 156 C CB -0.061 27.576 27.740 -0.171 0.000 2.274 156 C HN 0.551 8.574 8.230 -0.184 0.097 0.509 157 H N 10.393 129.163 119.070 -0.500 0.000 2.488 157 H HA 0.408 4.886 4.556 -0.425 -0.178 0.322 157 H C -0.867 174.052 175.328 -0.683 0.000 1.078 157 H CA -0.632 55.065 56.048 -0.585 0.000 1.260 157 H CB 2.027 31.468 29.762 -0.534 0.000 1.425 157 H HN 0.033 8.004 8.280 -0.515 0.000 0.471 158 V N 2.636 122.155 119.914 -0.658 0.000 2.612 158 V HA 0.241 4.293 4.120 -0.334 -0.133 0.301 158 V C -1.403 174.151 176.094 -0.901 0.000 1.046 158 V CA -0.961 61.011 62.300 -0.546 0.000 0.946 158 V CB 1.350 32.930 31.823 -0.405 0.000 1.003 158 V HN -0.222 7.592 8.190 -0.627 0.000 0.459 159 F N 2.179 122.007 119.950 -0.204 0.000 2.581 159 F HA 0.438 5.005 4.527 -0.154 -0.133 0.311 159 F C -1.486 174.344 175.800 0.049 0.000 1.113 159 F CA -1.348 56.599 58.000 -0.089 0.000 0.935 159 F CB 4.423 43.417 39.000 -0.010 0.000 1.232 159 F HN 0.707 9.046 8.300 0.064 0.000 0.445 160 W N 3.452 124.797 121.300 0.074 0.000 2.331 160 W HA 0.554 5.499 4.660 0.120 -0.213 0.306 160 W C -1.059 175.578 176.519 0.196 0.000 1.162 160 W CA -0.859 56.565 57.345 0.131 0.000 1.232 160 W CB 2.060 31.632 29.460 0.186 0.000 1.235 160 W HN 0.102 8.489 8.180 0.345 0.000 0.479 161 C N 7.864 127.166 119.300 0.004 0.000 2.454 161 C HA 0.185 4.758 4.460 0.189 0.000 0.336 161 C C -1.817 173.232 174.990 0.098 0.000 1.189 161 C CA -0.988 58.070 59.018 0.067 0.000 1.877 161 C CB 3.920 31.616 27.740 -0.074 0.000 2.348 161 C HN -0.006 8.040 8.230 -0.307 0.000 0.508 162 E N 1.778 122.089 120.200 0.185 0.000 2.383 162 E HA 0.364 4.946 4.350 0.257 -0.078 0.275 162 E C -2.194 174.499 176.600 0.154 0.000 0.918 162 E CA -2.551 53.986 56.400 0.229 0.000 0.764 162 E CB 1.763 31.649 29.700 0.310 0.000 1.252 162 E HN 0.364 8.829 8.360 0.176 0.000 0.449 163 P HA 0.018 4.585 4.420 0.245 0.000 0.239 163 P C -2.026 175.387 177.300 0.189 0.000 1.184 163 P CA 1.059 64.272 63.100 0.188 0.000 0.760 163 P CB 0.398 32.179 31.700 0.134 0.000 0.884 164 N N -4.436 114.290 118.700 0.043 0.000 3.227 164 N HA -0.050 4.522 4.740 -0.279 0.000 0.241 164 N C -1.966 173.436 175.510 -0.181 0.000 1.480 164 N CA -0.843 52.111 53.050 -0.161 0.000 0.886 164 N CB 1.292 39.651 38.487 -0.215 0.000 1.406 164 N HN -0.858 7.445 8.380 0.045 0.104 0.514 165 A N -3.174 119.491 122.820 -0.258 0.000 2.532 165 A HA 0.297 4.446 4.320 -0.284 0.000 0.273 165 A C 0.272 177.706 177.584 -0.250 0.000 1.342 165 A CA -0.449 51.431 52.037 -0.262 0.000 0.929 165 A CB -0.582 18.291 19.000 -0.212 0.000 1.051 165 A HN 0.457 8.412 8.150 -0.325 0.000 0.521 166 A N -0.549 122.159 122.820 -0.185 0.000 1.874 166 A HA -0.189 4.123 4.320 -0.012 0.000 0.214 166 A C 1.228 178.699 177.584 -0.189 0.000 1.189 166 A CA 2.522 54.498 52.037 -0.102 0.000 0.615 166 A CB 0.248 19.218 19.000 -0.050 0.000 0.830 166 A HN -0.050 7.895 8.150 -0.174 0.101 0.443 167 N N -1.229 117.323 118.700 -0.246 0.000 2.047 167 N HA -0.313 4.289 4.740 -0.231 0.000 0.193 167 N C 1.711 176.823 175.510 -0.663 0.000 1.055 167 N CA 3.331 56.181 53.050 -0.333 0.000 0.847 167 N CB -0.742 37.632 38.487 -0.189 0.000 1.038 167 N HN -0.212 8.047 8.380 -0.203 0.000 0.427 168 V N -0.233 119.106 119.914 -0.959 0.000 2.223 168 V HA -0.547 2.583 4.120 -1.650 0.000 0.253 168 V C 1.823 177.395 176.094 -0.871 0.000 1.061 168 V CA 3.878 65.494 62.300 -1.139 0.000 1.035 168 V CB -0.919 30.362 31.823 -0.903 0.000 0.653 168 V HN -0.103 7.615 8.190 -0.786 0.000 0.454 169 S N -1.239 113.936 115.700 -0.875 0.000 2.369 169 S HA -0.502 3.359 4.470 -1.014 0.000 0.225 169 S C 1.539 175.897 174.600 -0.404 0.000 1.043 169 S CA 3.396 61.160 58.200 -0.728 0.000 1.074 169 S CB -0.261 62.678 63.200 -0.434 0.000 0.962 169 S HN -0.383 7.417 8.310 -0.849 0.000 0.433 170 E N 1.228 121.242 120.200 -0.310 0.000 2.065 170 E HA -0.433 3.764 4.350 -0.255 0.000 0.201 170 E C 2.575 179.017 176.600 -0.263 0.000 1.016 170 E CA 2.929 59.155 56.400 -0.289 0.000 0.818 170 E CB -0.061 29.439 29.700 -0.333 0.000 0.749 170 E HN -0.728 7.450 8.360 -0.303 0.000 0.453 171 A N -1.816 120.825 122.820 -0.299 0.000 1.978 171 A HA -0.203 4.038 4.320 -0.133 0.000 0.220 171 A C 2.074 179.528 177.584 -0.217 0.000 1.170 171 A CA 2.825 54.738 52.037 -0.208 0.000 0.636 171 A CB -0.551 18.347 19.000 -0.170 0.000 0.810 171 A HN 0.388 8.305 8.150 -0.388 0.000 0.448 172 V N -2.715 117.015 119.914 -0.307 0.000 2.871 172 V HA -0.427 3.545 4.120 -0.246 0.000 0.256 172 V C 1.628 177.529 176.094 -0.322 0.000 1.082 172 V CA 2.589 64.710 62.300 -0.298 0.000 1.105 172 V CB -0.286 31.339 31.823 -0.331 0.000 0.713 172 V HN -0.262 7.545 8.190 -0.387 0.151 0.473 173 Q N 0.049 119.663 119.800 -0.310 0.000 2.002 173 Q HA -0.349 3.573 4.340 -0.698 0.000 0.204 173 Q C 2.472 178.385 176.000 -0.146 0.000 0.988 173 Q CA 2.906 58.528 55.803 -0.301 0.000 0.843 173 Q CB -0.848 27.848 28.738 -0.070 0.000 0.908 173 Q HN -0.265 7.663 8.270 -0.273 0.178 0.420 174 A N -1.746 121.019 122.820 -0.092 0.000 2.067 174 A HA -0.213 4.102 4.320 -0.008 0.000 0.219 174 A C 1.159 178.705 177.584 -0.063 0.000 1.158 174 A CA 1.851 53.859 52.037 -0.048 0.000 0.661 174 A CB -0.785 18.187 19.000 -0.047 0.000 0.801 174 A HN -0.308 7.776 8.150 -0.110 0.000 0.452 175 A N -2.035 120.721 122.820 -0.106 0.000 1.948 175 A HA -0.274 3.999 4.320 -0.078 0.000 0.220 175 A C 0.684 178.219 177.584 -0.082 0.000 1.177 175 A CA 1.586 53.562 52.037 -0.102 0.000 0.636 175 A CB -0.212 18.703 19.000 -0.141 0.000 0.815 175 A HN -0.100 7.832 8.150 -0.140 0.134 0.449 176 C N 0.000 119.247 119.300 -0.088 0.000 2.653 176 C HA 0.000 4.435 4.460 -0.041 0.000 0.325 176 C CA 0.000 59.000 59.018 -0.031 0.000 1.963 176 C CB 0.000 27.773 27.740 0.056 0.000 2.134 176 C HN 0.000 8.134 8.230 -0.134 0.015 0.568