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 1e0a_7_A DATA FIRST_RESID 1 DATA SEQUENCE MQTIKCVVVG DGAVGKTCLL ISYTTNKFPS EYVPTVFDNY AVTVMIGGEP DATA SEQUENCE YTLGLFDTAG LEDYDRLRPL SYPQTDVFLV CFSVVSPSSF ENVKEKWVPE DATA SEQUENCE ITHHCPKTPF LLVGTQIDLR DDPSTIEKLA KNKQKPITPE TAEKLARDLK DATA SEQUENCE AVKYVECSAL TQKGLKNVFD EAILAALEPP EPKK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.367 4.480 -0.188 0.000 0.227 1 M C 0.000 176.228 176.300 -0.121 0.000 1.140 1 M CA 0.000 55.220 55.300 -0.133 0.000 0.988 1 M CB 0.000 32.527 32.600 -0.121 0.000 1.302 2 Q N 6.919 126.627 119.800 -0.154 0.000 2.322 2 Q HA 0.304 4.611 4.340 -0.056 0.000 0.265 2 Q C -1.010 174.945 176.000 -0.077 0.000 0.985 2 Q CA -0.146 55.611 55.803 -0.076 0.000 0.849 2 Q CB 1.535 30.274 28.738 0.001 0.000 1.274 2 Q HN 0.198 8.324 8.270 -0.239 0.000 0.449 3 T N 4.761 119.296 114.554 -0.032 0.000 2.922 3 T HA 0.302 4.657 4.350 0.009 0.000 0.285 3 T C -0.076 174.657 174.700 0.055 0.000 1.005 3 T CA -0.457 61.647 62.100 0.008 0.000 1.061 3 T CB 1.096 69.960 68.868 -0.006 0.000 1.007 3 T HN 0.125 8.343 8.240 -0.036 0.000 0.502 4 I N -4.260 116.372 120.570 0.104 0.000 2.842 4 I HA 0.377 4.586 4.170 0.064 0.000 0.297 4 I C -2.695 173.498 176.117 0.127 0.000 1.380 4 I CA -0.815 60.544 61.300 0.099 0.000 1.018 4 I CB 3.066 41.129 38.000 0.104 0.000 1.311 4 I HN -0.014 8.271 8.210 0.126 0.000 0.439 5 K N 3.111 123.579 120.400 0.114 0.000 2.502 5 K HA 0.539 5.030 4.320 0.215 -0.043 0.254 5 K C -0.955 175.688 176.600 0.071 0.000 0.947 5 K CA -0.749 55.631 56.287 0.154 0.000 0.834 5 K CB 2.409 35.001 32.500 0.154 0.000 1.112 5 K HN 0.066 8.367 8.250 0.085 0.000 0.427 6 C N 5.830 125.189 119.300 0.098 0.000 2.604 6 C HA 0.026 4.422 4.460 -0.107 0.000 0.396 6 C C -1.769 173.233 174.990 0.019 0.000 1.282 6 C CA -0.713 58.304 59.018 -0.001 0.000 2.292 6 C CB 1.441 29.193 27.740 0.021 0.000 2.633 6 C HN -0.118 8.135 8.230 0.164 0.076 0.620 7 V N 3.897 123.724 119.914 -0.145 0.000 2.932 7 V HA 0.765 5.170 4.120 0.097 -0.226 0.307 7 V C -1.883 174.191 176.094 -0.034 0.000 1.147 7 V CA -1.868 60.384 62.300 -0.080 0.000 0.951 7 V CB 3.862 35.559 31.823 -0.210 0.000 1.031 7 V HN -0.145 7.889 8.190 -0.261 0.000 0.426 8 V N 5.250 125.180 119.914 0.026 0.000 2.555 8 V HA 0.765 5.100 4.120 0.036 -0.194 0.302 8 V C -2.589 173.436 176.094 -0.115 0.000 1.038 8 V CA -2.701 59.590 62.300 -0.016 0.000 0.887 8 V CB 3.473 35.252 31.823 -0.074 0.000 0.991 8 V HN 0.106 8.328 8.190 0.053 0.000 0.434 9 V N 7.743 127.547 119.914 -0.184 0.000 2.483 9 V HA 0.817 4.878 4.120 -0.529 -0.258 0.297 9 V C -1.396 174.282 176.094 -0.693 0.000 1.027 9 V CA -2.970 59.067 62.300 -0.439 0.000 0.855 9 V CB 2.176 33.754 31.823 -0.408 0.000 0.995 9 V HN 0.922 8.957 8.190 -0.100 0.095 0.424 10 G N 8.361 116.523 108.800 -1.063 0.000 2.357 10 G HA2 -0.175 2.699 3.960 -1.810 0.000 0.643 10 G HA3 -0.175 1.531 3.960 -3.757 0.000 0.643 10 G C -2.827 171.449 174.900 -1.041 0.000 1.358 10 G CA -0.412 43.527 45.100 -1.936 0.000 0.986 10 G HN -0.142 7.624 8.290 -0.873 0.000 0.620 11 D N -0.225 119.725 120.400 -0.750 0.000 2.256 11 D HA 0.114 4.656 4.640 -0.164 0.000 0.240 11 D C -0.300 175.971 176.300 -0.049 0.000 1.062 11 D CA 0.539 54.466 54.000 -0.122 0.000 0.832 11 D CB 1.423 42.358 40.800 0.225 0.000 1.135 11 D HN -0.045 7.669 8.370 -1.094 0.000 0.484 12 G N 0.211 108.967 108.800 -0.073 0.000 3.751 12 G HA2 -0.130 3.834 3.960 -0.076 0.000 0.216 12 G HA3 -0.130 3.820 3.960 -0.017 0.000 0.216 12 G C -0.704 174.130 174.900 -0.110 0.000 0.911 12 G CA 0.682 45.743 45.100 -0.065 0.000 0.869 12 G HN 0.311 8.548 8.290 -0.088 0.000 0.462 13 A N -0.777 121.962 122.820 -0.134 0.000 2.640 13 A HA -0.470 3.766 4.320 -0.140 0.000 0.233 13 A C -0.048 177.434 177.584 -0.171 0.000 0.621 13 A CA 2.294 54.241 52.037 -0.149 0.000 1.214 13 A CB -1.427 17.480 19.000 -0.154 0.000 1.351 13 A HN -0.455 7.607 8.150 -0.146 0.000 0.694 14 V N 0.049 119.855 119.914 -0.179 0.000 2.636 14 V HA -0.378 3.639 4.120 -0.172 0.000 0.258 14 V C 1.163 177.145 176.094 -0.186 0.000 1.092 14 V CA 2.639 64.824 62.300 -0.192 0.000 1.110 14 V CB -0.584 31.084 31.823 -0.259 0.000 0.685 14 V HN -0.346 7.632 8.190 -0.175 0.107 0.481 15 G N -1.114 107.578 108.800 -0.180 0.000 2.529 15 G HA2 -0.205 3.657 3.960 -0.164 0.000 0.167 15 G HA3 -0.205 3.791 3.960 -0.148 -0.125 0.167 15 G C -0.599 174.191 174.900 -0.183 0.000 1.615 15 G CA 1.190 46.191 45.100 -0.166 0.000 0.885 15 G HN -0.269 7.859 8.290 -0.181 0.053 0.394 16 K N 0.582 120.884 120.400 -0.163 0.000 2.159 16 K HA -0.100 4.079 4.320 -0.235 0.000 0.210 16 K C 1.873 178.323 176.600 -0.251 0.000 1.026 16 K CA 1.472 57.647 56.287 -0.186 0.000 0.959 16 K CB 0.125 32.571 32.500 -0.090 0.000 0.890 16 K HN 0.183 8.349 8.250 -0.139 0.000 0.459 17 T N 2.031 116.485 114.554 -0.167 0.000 2.481 17 T HA -0.393 3.867 4.350 -0.150 0.000 0.252 17 T C 2.170 176.710 174.700 -0.266 0.000 1.242 17 T CA 3.760 65.764 62.100 -0.158 0.000 1.170 17 T CB -1.036 67.812 68.868 -0.033 0.000 0.860 17 T HN 0.049 8.231 8.240 -0.096 0.000 0.422 18 C N 1.945 121.122 119.300 -0.205 0.000 2.403 18 C HA -0.436 3.890 4.460 -0.224 0.000 0.277 18 C C 1.338 176.191 174.990 -0.227 0.000 1.248 18 C CA 4.522 63.408 59.018 -0.220 0.000 1.762 18 C CB -0.697 26.919 27.740 -0.207 0.000 2.014 18 C HN -0.407 7.720 8.230 -0.171 0.000 0.486 19 L N -0.147 120.932 121.223 -0.240 0.000 1.941 19 L HA -0.518 3.758 4.340 -0.107 0.000 0.224 19 L C 1.869 178.624 176.870 -0.192 0.000 1.081 19 L CA 4.021 58.730 54.840 -0.218 0.000 0.784 19 L CB -0.170 41.659 42.059 -0.383 0.000 0.894 19 L HN -0.568 7.416 8.230 -0.246 0.098 0.436 20 L N -3.895 117.101 121.223 -0.378 0.000 2.103 20 L HA -0.435 3.760 4.340 -0.242 0.000 0.215 20 L C 2.600 179.314 176.870 -0.260 0.000 1.080 20 L CA 3.069 57.664 54.840 -0.408 0.000 0.764 20 L CB -1.559 39.917 42.059 -0.972 0.000 0.890 20 L HN -0.353 7.587 8.230 -0.483 0.000 0.435 21 I N -2.366 118.050 120.570 -0.257 0.000 2.052 21 I HA -0.554 3.548 4.170 -0.113 0.000 0.235 21 I C 2.546 178.614 176.117 -0.081 0.000 1.046 21 I CA 3.044 64.255 61.300 -0.148 0.000 1.308 21 I CB -1.942 35.952 38.000 -0.177 0.000 1.031 21 I HN -0.663 7.241 8.210 -0.327 0.111 0.395 22 S N -0.529 115.129 115.700 -0.070 0.000 2.371 22 S HA -0.137 4.410 4.470 -0.005 -0.080 0.219 22 S C 2.932 177.507 174.600 -0.042 0.000 1.040 22 S CA 2.516 60.700 58.200 -0.026 0.000 0.958 22 S CB 0.059 63.255 63.200 -0.007 0.000 0.860 22 S HN -0.555 7.694 8.310 -0.101 0.000 0.487 23 Y N 2.601 122.798 120.300 -0.172 0.000 2.102 23 Y HA -0.309 4.123 4.550 -0.197 0.000 0.280 23 Y C 0.706 176.450 175.900 -0.260 0.000 1.178 23 Y CA 3.826 61.792 58.100 -0.222 0.000 1.146 23 Y CB 0.158 38.465 38.460 -0.256 0.000 0.968 23 Y HN 0.259 8.519 8.280 0.063 0.057 0.504 24 T N -2.886 111.661 114.554 -0.011 0.000 3.523 24 T HA -0.068 4.209 4.350 -0.121 0.000 0.216 24 T C 1.052 175.709 174.700 -0.072 0.000 0.922 24 T CA 1.940 63.998 62.100 -0.070 0.000 1.558 24 T CB 0.320 69.156 68.868 -0.054 0.000 1.424 24 T HN -0.943 7.176 8.240 -0.001 0.120 0.452 25 T N 1.258 115.783 114.554 -0.050 0.000 2.849 25 T HA -0.233 4.107 4.350 -0.018 0.000 0.270 25 T C 0.085 174.768 174.700 -0.028 0.000 1.066 25 T CA 1.771 63.856 62.100 -0.026 0.000 1.130 25 T CB 0.393 69.257 68.868 -0.006 0.000 0.864 25 T HN -0.331 7.873 8.240 -0.061 0.000 0.481 26 N N -1.194 117.484 118.700 -0.037 0.000 2.791 26 N HA -0.343 4.471 4.740 -0.028 -0.091 0.250 26 N C -1.875 173.646 175.510 0.017 0.000 1.082 26 N CA 0.896 53.932 53.050 -0.023 0.000 0.680 26 N CB -1.136 37.327 38.487 -0.040 0.000 0.918 26 N HN -0.237 8.076 8.380 -0.049 0.037 0.555 27 K N -2.460 117.965 120.400 0.041 0.000 2.047 27 K HA 0.339 4.717 4.320 0.097 0.000 0.244 27 K C -2.139 174.585 176.600 0.207 0.000 1.048 27 K CA -1.078 55.267 56.287 0.096 0.000 0.871 27 K CB 2.209 34.745 32.500 0.060 0.000 1.445 27 K HN 0.322 8.422 8.250 0.015 0.159 0.514 28 F N -1.014 118.912 119.950 -0.039 0.000 2.576 28 F HA 0.352 4.847 4.527 -0.054 0.000 0.313 28 F C -1.761 174.015 175.800 -0.040 0.000 1.078 28 F CA -2.793 55.179 58.000 -0.045 0.000 0.921 28 F CB 1.774 40.748 39.000 -0.044 0.000 1.232 28 F HN -0.180 8.247 8.300 0.212 0.000 0.459 29 P HA -0.074 4.279 4.420 -0.111 0.000 0.261 29 P C -0.805 176.502 177.300 0.011 0.000 1.158 29 P CA 0.461 63.483 63.100 -0.129 0.000 0.758 29 P CB 0.479 32.021 31.700 -0.263 0.000 0.763 30 S N 5.048 120.764 115.700 0.027 0.000 2.860 30 S HA -0.043 4.468 4.470 0.068 0.000 0.181 30 S C 0.224 174.868 174.600 0.072 0.000 0.763 30 S CA 0.666 58.899 58.200 0.055 0.000 0.829 30 S CB 0.098 63.326 63.200 0.045 0.000 0.793 30 S HN -0.017 8.300 8.310 0.012 0.000 0.614 31 E N 3.168 123.408 120.200 0.067 0.000 1.858 31 E HA -0.022 4.381 4.350 0.088 0.000 0.267 31 E C -1.579 175.111 176.600 0.149 0.000 1.215 31 E CA -0.581 55.870 56.400 0.085 0.000 0.952 31 E CB 0.046 29.775 29.700 0.048 0.000 1.058 31 E HN 0.028 8.417 8.360 0.049 0.000 0.407 32 Y N 7.422 127.724 120.300 0.004 0.000 2.730 32 Y HA -0.136 4.409 4.550 -0.008 0.000 0.357 32 Y C -1.019 174.884 175.900 0.005 0.000 1.167 32 Y CA -0.606 57.495 58.100 0.001 0.000 1.579 32 Y CB -0.706 37.758 38.460 0.008 0.000 1.262 32 Y HN 0.112 8.538 8.280 0.242 0.000 0.510 33 V N 9.376 129.427 119.914 0.229 0.000 2.891 33 V HA 0.432 4.472 4.120 -0.134 0.000 0.304 33 V C -2.923 173.226 176.094 0.092 0.000 1.171 33 V CA -3.565 58.752 62.300 0.029 0.000 0.943 33 V CB 3.401 35.232 31.823 0.013 0.000 1.037 33 V HN -0.121 8.264 8.190 0.325 0.000 0.427 34 P HA -0.077 4.416 4.420 0.122 0.000 0.212 34 P C -1.371 175.989 177.300 0.099 0.000 0.974 34 P CA 0.718 63.873 63.100 0.091 0.000 1.226 34 P CB -0.611 31.131 31.700 0.069 0.000 1.258 35 T N 4.782 119.395 114.554 0.099 0.000 2.866 35 T HA -0.282 4.232 4.350 0.059 -0.129 0.241 35 T C 0.529 175.298 174.700 0.116 0.000 1.018 35 T CA 0.969 63.115 62.100 0.077 0.000 1.368 35 T CB -0.826 68.073 68.868 0.051 0.000 1.025 35 T HN -0.366 7.941 8.240 0.112 0.000 0.575 36 V N 2.935 122.942 119.914 0.155 0.000 2.719 36 V HA -0.098 4.224 4.120 0.336 0.000 0.252 36 V C -0.706 175.590 176.094 0.337 0.000 1.065 36 V CA 0.801 63.260 62.300 0.264 0.000 1.086 36 V CB 0.486 32.434 31.823 0.208 0.000 0.700 36 V HN -0.066 8.197 8.190 0.121 0.000 0.467 37 F N -4.885 115.089 119.950 0.041 0.000 1.811 37 F HA 0.210 4.977 4.527 0.027 -0.224 0.232 37 F C -2.051 173.651 175.800 -0.162 0.000 1.232 37 F CA -0.090 57.885 58.000 -0.041 0.000 1.312 37 F CB 1.800 40.747 39.000 -0.089 0.000 1.880 37 F HN -0.695 7.673 8.300 0.159 0.028 0.287 38 D N -1.854 118.045 120.400 -0.835 0.000 10.532 38 D HA -0.298 3.873 4.640 -0.780 0.000 0.323 38 D C -1.987 173.012 176.300 -2.168 0.000 3.008 38 D CA 1.133 54.484 54.000 -1.082 0.000 2.668 38 D CB -0.144 40.378 40.800 -0.463 0.000 1.147 38 D HN -0.067 8.083 8.370 -0.366 0.000 0.894 39 N N 0.369 117.987 118.700 -1.803 0.000 2.443 39 N HA 0.063 3.736 4.740 -1.779 0.000 0.293 39 N C -1.121 173.528 175.510 -1.435 0.000 1.159 39 N CA -0.872 51.237 53.050 -1.567 0.000 0.904 39 N CB 2.115 40.175 38.487 -0.712 0.000 1.214 39 N HN 0.031 7.707 8.380 -1.173 0.000 0.513 40 Y N -1.388 118.775 120.300 -0.229 0.000 2.638 40 Y HA 0.107 4.594 4.550 -0.104 0.000 0.335 40 Y C -1.476 174.404 175.900 -0.033 0.000 1.155 40 Y CA -1.213 56.819 58.100 -0.113 0.000 1.046 40 Y CB 1.558 39.955 38.460 -0.105 0.000 1.303 40 Y HN -0.209 7.810 8.280 -0.435 0.000 0.460 41 A N 2.477 125.394 122.820 0.161 0.000 2.330 41 A HA 0.366 4.761 4.320 0.126 0.000 0.313 41 A C -1.149 176.512 177.584 0.129 0.000 1.124 41 A CA -0.839 51.271 52.037 0.122 0.000 0.774 41 A CB 1.636 20.685 19.000 0.082 0.000 1.198 41 A HN 0.099 8.353 8.150 0.173 0.000 0.465 42 V N 0.773 120.774 119.914 0.144 0.000 2.932 42 V HA 0.366 4.561 4.120 0.125 0.000 0.307 42 V C -1.276 174.918 176.094 0.167 0.000 1.147 42 V CA -0.853 61.539 62.300 0.153 0.000 0.951 42 V CB 2.171 34.107 31.823 0.190 0.000 1.031 42 V HN 0.307 8.587 8.190 0.151 0.000 0.426 43 T N 6.062 120.710 114.554 0.156 0.000 2.930 43 T HA 0.319 4.935 4.350 0.200 -0.146 0.313 43 T C -0.978 173.823 174.700 0.168 0.000 1.019 43 T CA -0.535 61.664 62.100 0.166 0.000 1.004 43 T CB 1.039 69.982 68.868 0.126 0.000 0.987 43 T HN 0.076 8.399 8.240 0.137 0.000 0.456 44 V N 6.574 126.602 119.914 0.190 0.000 2.383 44 V HA 0.116 4.329 4.120 0.156 0.000 0.275 44 V C -0.799 175.376 176.094 0.136 0.000 1.036 44 V CA -1.376 61.014 62.300 0.150 0.000 0.889 44 V CB 0.784 32.663 31.823 0.095 0.000 0.985 44 V HN 0.321 8.644 8.190 0.221 0.000 0.459 45 M N 7.372 127.038 119.600 0.110 0.000 2.151 45 M HA 0.188 4.923 4.480 0.129 -0.177 0.349 45 M C -0.137 176.208 176.300 0.075 0.000 1.284 45 M CA -0.346 55.014 55.300 0.100 0.000 1.173 45 M CB -0.300 32.347 32.600 0.077 0.000 1.469 45 M HN 0.293 8.645 8.290 0.103 0.000 0.439 46 I N 4.593 125.213 120.570 0.082 0.000 2.291 46 I HA -0.084 4.104 4.170 0.030 0.000 0.292 46 I C 0.820 176.970 176.117 0.055 0.000 1.064 46 I CA 0.364 61.693 61.300 0.048 0.000 1.269 46 I CB -0.752 37.260 38.000 0.019 0.000 1.418 46 I HN -0.042 8.247 8.210 0.131 0.000 0.485 47 G N 8.740 117.564 108.800 0.040 0.000 2.153 47 G HA2 -0.296 3.685 3.960 0.035 0.000 0.252 47 G HA3 -0.296 3.681 3.960 0.029 0.000 0.252 47 G C 0.236 175.159 174.900 0.039 0.000 0.994 47 G CA -0.359 44.762 45.100 0.035 0.000 0.698 47 G HN 0.740 9.052 8.290 0.035 0.000 0.521 48 G N -2.838 105.989 108.800 0.046 0.000 2.215 48 G HA2 -0.243 3.737 3.960 0.035 0.000 0.198 48 G HA3 -0.243 3.742 3.960 0.043 0.000 0.198 48 G C -1.267 173.663 174.900 0.050 0.000 1.047 48 G CA -0.304 44.822 45.100 0.043 0.000 0.747 48 G HN -0.155 8.116 8.290 0.051 0.050 0.495 49 E N -1.111 119.131 120.200 0.072 0.000 2.274 49 E HA 0.195 4.579 4.350 0.057 0.000 0.269 49 E C -2.091 174.580 176.600 0.118 0.000 0.891 49 E CA -2.550 53.898 56.400 0.080 0.000 0.784 49 E CB 1.944 31.694 29.700 0.084 0.000 1.225 49 E HN -0.130 8.278 8.360 0.081 0.000 0.412 50 P HA -0.116 4.381 4.420 0.129 0.000 0.270 50 P C -1.793 175.598 177.300 0.151 0.000 1.227 50 P CA 0.119 63.284 63.100 0.109 0.000 0.788 50 P CB 0.630 32.364 31.700 0.057 0.000 0.926 51 Y N -2.793 117.530 120.300 0.039 0.000 2.655 51 Y HA 0.142 4.709 4.550 0.029 0.000 0.336 51 Y C -1.284 174.646 175.900 0.049 0.000 1.154 51 Y CA -0.329 57.793 58.100 0.037 0.000 1.055 51 Y CB 3.888 42.368 38.460 0.033 0.000 1.295 51 Y HN -0.153 8.255 8.280 0.213 0.000 0.465 52 T N 2.408 117.089 114.554 0.212 0.000 2.906 52 T HA 0.195 4.652 4.350 0.179 0.000 0.302 52 T C -2.151 172.704 174.700 0.260 0.000 1.002 52 T CA -0.399 61.808 62.100 0.179 0.000 0.988 52 T CB 0.679 69.584 68.868 0.061 0.000 0.972 52 T HN 0.333 8.623 8.240 0.084 0.000 0.447 53 L N 6.021 127.390 121.223 0.242 0.000 2.346 53 L HA 0.560 5.179 4.340 0.225 -0.144 0.276 53 L C -0.917 176.087 176.870 0.223 0.000 1.006 53 L CA -1.461 53.512 54.840 0.222 0.000 0.817 53 L CB 3.320 45.490 42.059 0.186 0.000 1.272 53 L HN -0.384 7.979 8.230 0.222 0.000 0.421 54 G N 4.909 113.862 108.800 0.255 0.000 2.814 54 G HA2 0.391 4.601 3.960 0.417 0.000 0.300 54 G HA3 0.391 4.527 3.960 0.295 0.000 0.300 54 G C -1.976 173.194 174.900 0.449 0.000 1.406 54 G CA -0.686 44.624 45.100 0.350 0.000 1.041 54 G HN 0.065 8.496 8.290 0.234 0.000 0.532 55 L N 3.855 125.298 121.223 0.367 0.000 2.395 55 L HA 0.273 4.929 4.340 0.345 -0.109 0.269 55 L C -1.041 176.095 176.870 0.443 0.000 1.133 55 L CA 0.059 55.121 54.840 0.371 0.000 0.812 55 L CB 1.126 43.350 42.059 0.274 0.000 1.125 55 L HN 0.107 8.519 8.230 0.304 0.000 0.452 56 F N 0.025 120.120 119.950 0.240 0.000 2.579 56 F HA 0.263 5.212 4.527 0.704 0.000 0.325 56 F C -1.368 174.577 175.800 0.241 0.000 1.162 56 F CA -1.381 56.851 58.000 0.388 0.000 0.946 56 F CB 3.539 42.670 39.000 0.218 0.000 1.211 56 F HN 0.603 9.059 8.300 0.433 0.103 0.447 57 D N 3.532 124.141 120.400 0.349 0.000 2.382 57 D HA 0.005 4.708 4.640 0.106 0.000 0.240 57 D C -1.017 175.391 176.300 0.180 0.000 1.146 57 D CA 0.699 54.809 54.000 0.184 0.000 0.897 57 D CB 1.856 42.725 40.800 0.116 0.000 1.197 57 D HN 0.031 8.502 8.370 0.317 0.090 0.432 58 T N 2.755 117.286 114.554 -0.039 0.000 3.295 58 T HA 0.269 4.495 4.350 -0.207 0.000 0.331 58 T C -1.335 173.015 174.700 -0.584 0.000 1.142 58 T CA 0.025 61.931 62.100 -0.322 0.000 1.078 58 T CB 2.654 71.303 68.868 -0.365 0.000 1.150 58 T HN -0.254 7.933 8.240 -0.088 0.000 0.465 59 A N 4.858 127.152 122.820 -0.876 0.000 2.579 59 A HA 0.283 4.336 4.320 -0.445 0.000 0.273 59 A C 0.185 177.467 177.584 -0.504 0.000 1.363 59 A CA -1.016 50.701 52.037 -0.533 0.000 0.953 59 A CB -0.627 18.305 19.000 -0.113 0.000 1.034 59 A HN 0.521 7.800 8.150 -1.451 0.000 0.536 60 G N -0.269 108.124 108.800 -0.678 0.000 2.752 60 G HA2 -0.510 3.480 3.960 0.051 0.000 0.349 60 G HA3 -0.510 3.232 3.960 -0.362 0.000 0.349 60 G C -0.061 174.976 174.900 0.228 0.000 1.181 60 G CA 1.110 46.107 45.100 -0.172 0.000 0.949 60 G HN -0.070 7.572 8.290 -0.905 0.104 0.562 61 L N -2.904 118.544 121.223 0.374 0.000 5.820 61 L HA -0.445 4.040 4.340 0.242 0.000 0.267 61 L C -0.274 176.771 176.870 0.293 0.000 1.167 61 L CA 1.352 56.381 54.840 0.316 0.000 1.356 61 L CB 0.238 42.515 42.059 0.364 0.000 2.143 61 L HN -0.207 8.366 8.230 0.573 0.000 0.883 62 E N -3.710 116.619 120.200 0.215 0.000 2.399 62 E HA 0.027 4.498 4.350 0.201 0.000 0.205 62 E C 1.255 177.980 176.600 0.209 0.000 0.906 62 E CA 1.225 57.725 56.400 0.167 0.000 0.998 62 E CB 0.695 30.416 29.700 0.034 0.000 1.002 62 E HN 0.068 8.544 8.360 0.195 0.000 0.501 63 D N 1.005 121.530 120.400 0.208 0.000 2.264 63 D HA -0.173 4.526 4.640 0.098 0.000 0.208 63 D C 1.985 178.370 176.300 0.142 0.000 0.966 63 D CA 2.408 56.492 54.000 0.141 0.000 0.864 63 D CB -0.763 40.095 40.800 0.096 0.000 0.933 63 D HN 0.182 8.686 8.370 0.224 0.000 0.499 64 Y N -1.386 118.999 120.300 0.142 0.000 2.569 64 Y HA -0.337 4.292 4.550 0.132 0.000 0.293 64 Y C 0.661 176.610 175.900 0.081 0.000 1.144 64 Y CA 2.132 60.330 58.100 0.162 0.000 1.321 64 Y CB -0.458 38.203 38.460 0.335 0.000 0.982 64 Y HN -0.288 8.280 8.280 0.540 0.036 0.558 65 D N -1.115 119.379 120.400 0.157 0.000 2.170 65 D HA -0.405 4.196 4.640 -0.066 0.000 0.193 65 D C 2.563 178.873 176.300 0.016 0.000 1.004 65 D CA 3.547 57.565 54.000 0.030 0.000 0.860 65 D CB 0.048 40.875 40.800 0.045 0.000 0.931 65 D HN -0.500 7.812 8.370 0.198 0.177 0.448 66 R N -1.849 118.663 120.500 0.020 0.000 2.090 66 R HA -0.181 4.156 4.340 -0.005 0.000 0.228 66 R C 1.330 177.627 176.300 -0.006 0.000 1.110 66 R CA 2.421 58.519 56.100 -0.004 0.000 0.973 66 R CB -0.374 29.915 30.300 -0.018 0.000 0.869 66 R HN -0.615 7.664 8.270 0.028 0.008 0.440 67 L N -0.958 120.265 121.223 0.001 0.000 2.629 67 L HA 0.119 4.445 4.340 -0.023 0.000 0.230 67 L C 0.456 177.410 176.870 0.140 0.000 1.151 67 L CA -0.501 54.346 54.840 0.011 0.000 0.924 67 L CB -0.038 41.944 42.059 -0.128 0.000 1.137 67 L HN -0.692 7.434 8.230 0.001 0.104 0.457 68 R N 1.413 121.995 120.500 0.136 0.000 2.048 68 R HA 0.104 4.644 4.340 0.333 0.000 0.224 68 R C -1.152 175.173 176.300 0.041 0.000 1.163 68 R CA 3.560 59.755 56.100 0.158 0.000 0.956 68 R CB -2.143 28.161 30.300 0.007 0.000 0.849 68 R HN -0.115 7.997 8.270 0.081 0.206 0.435 69 P HA -0.185 4.273 4.420 0.064 0.000 0.218 69 P C 0.725 177.980 177.300 -0.076 0.000 1.146 69 P CA 2.416 65.528 63.100 0.020 0.000 0.820 69 P CB -0.849 30.872 31.700 0.035 0.000 0.778 70 L N -2.388 118.739 121.223 -0.160 0.000 2.081 70 L HA -0.247 3.971 4.340 -0.202 0.000 0.212 70 L C 1.933 178.206 176.870 -0.995 0.000 1.080 70 L CA 2.514 57.152 54.840 -0.337 0.000 0.754 70 L CB -0.221 41.714 42.059 -0.206 0.000 0.893 70 L HN -0.139 7.997 8.230 -0.080 0.046 0.433 71 S N -2.893 112.304 115.700 -0.839 0.000 2.503 71 S HA -0.136 3.349 4.470 -1.642 0.000 0.217 71 S C -0.090 173.863 174.600 -1.078 0.000 0.999 71 S CA 0.710 58.248 58.200 -1.103 0.000 0.914 71 S CB 2.379 65.348 63.200 -0.384 0.000 0.782 71 S HN -0.195 7.755 8.310 -0.399 0.121 0.520 72 Y N -0.466 119.799 120.300 -0.059 0.000 2.531 72 Y HA -0.335 4.221 4.550 0.010 0.000 0.024 72 Y C -2.136 173.801 175.900 0.063 0.000 1.726 72 Y CA -0.931 57.159 58.100 -0.015 0.000 1.401 72 Y CB -2.687 35.732 38.460 -0.068 0.000 2.048 72 Y HN -0.663 7.191 8.280 -0.417 0.176 0.258 73 P HA -0.062 4.755 4.420 0.662 0.000 0.216 73 P C 0.945 178.416 177.300 0.285 0.000 1.154 73 P CA 1.578 64.908 63.100 0.383 0.000 0.857 73 P CB 0.909 32.777 31.700 0.280 0.000 0.787 74 Q N -2.374 117.536 119.800 0.184 0.000 2.436 74 Q HA -0.166 4.252 4.340 0.130 0.000 0.209 74 Q C 1.218 177.260 176.000 0.071 0.000 0.965 74 Q CA 2.291 58.163 55.803 0.115 0.000 0.910 74 Q CB -0.989 27.791 28.738 0.070 0.000 0.980 74 Q HN 0.204 8.579 8.270 0.175 0.000 0.491 75 T N -1.783 112.825 114.554 0.091 0.000 2.649 75 T HA -0.314 4.077 4.350 0.068 0.000 0.268 75 T C 0.272 174.969 174.700 -0.004 0.000 1.036 75 T CA 3.000 65.143 62.100 0.072 0.000 1.157 75 T CB 0.150 69.100 68.868 0.135 0.000 0.861 75 T HN -0.103 8.162 8.240 0.154 0.068 0.445 76 D N -3.906 116.451 120.400 -0.072 0.000 3.037 76 D HA 0.017 4.642 4.640 -0.024 0.000 0.347 76 D C -2.278 173.947 176.300 -0.125 0.000 1.437 76 D CA -0.545 53.411 54.000 -0.074 0.000 0.783 76 D CB 0.863 41.623 40.800 -0.067 0.000 1.384 76 D HN -0.909 7.387 8.370 -0.120 0.003 0.478 77 V N -0.897 118.974 119.914 -0.071 0.000 3.332 77 V HA 0.065 4.454 4.120 0.107 -0.204 0.305 77 V C -0.775 175.266 176.094 -0.088 0.000 1.114 77 V CA 0.329 62.630 62.300 0.003 0.000 1.194 77 V CB 0.774 32.604 31.823 0.012 0.000 1.027 77 V HN 0.238 8.391 8.190 -0.062 0.000 0.492 78 F N 2.708 122.705 119.950 0.079 0.000 2.480 78 F HA 0.597 5.313 4.527 0.046 -0.162 0.329 78 F C -0.671 175.153 175.800 0.041 0.000 1.091 78 F CA -1.238 56.803 58.000 0.069 0.000 0.972 78 F CB 3.625 42.691 39.000 0.109 0.000 1.150 78 F HN -0.522 8.004 8.300 0.377 0.000 0.467 79 L N 1.441 122.756 121.223 0.154 0.000 2.334 79 L HA 0.765 5.269 4.340 0.045 -0.137 0.275 79 L C -1.333 175.534 176.870 -0.005 0.000 1.036 79 L CA -1.465 53.400 54.840 0.041 0.000 0.807 79 L CB 2.692 44.729 42.059 -0.037 0.000 1.231 79 L HN 1.148 9.337 8.230 0.134 0.121 0.438 80 V N -0.373 119.508 119.914 -0.056 0.000 2.962 80 V HA 0.479 4.636 4.120 -0.198 -0.156 0.313 80 V C -0.909 175.117 176.094 -0.112 0.000 1.099 80 V CA -1.789 60.440 62.300 -0.119 0.000 0.971 80 V CB 4.057 35.828 31.823 -0.087 0.000 1.028 80 V HN -0.193 7.966 8.190 -0.052 0.000 0.430 81 C N 3.281 122.474 119.300 -0.179 0.000 2.335 81 C HA 0.464 4.988 4.460 -0.159 -0.158 0.318 81 C C -1.166 173.797 174.990 -0.045 0.000 1.150 81 C CA -1.451 57.475 59.018 -0.154 0.000 1.466 81 C CB 0.817 28.438 27.740 -0.200 0.000 2.024 81 C HN 0.531 8.576 8.230 -0.308 0.000 0.429 82 F N 3.679 123.546 119.950 -0.137 0.000 2.507 82 F HA 0.541 5.055 4.527 -0.021 0.000 0.328 82 F C -1.447 174.351 175.800 -0.005 0.000 1.136 82 F CA -2.430 55.521 58.000 -0.082 0.000 0.930 82 F CB 2.363 41.254 39.000 -0.181 0.000 1.166 82 F HN -0.363 7.797 8.300 -0.234 0.000 0.436 83 S N 3.991 119.717 115.700 0.043 0.000 2.687 83 S HA -0.049 4.562 4.470 -0.072 -0.184 0.248 83 S C 0.221 174.983 174.600 0.269 0.000 1.390 83 S CA 0.433 58.670 58.200 0.062 0.000 0.963 83 S CB 0.728 64.018 63.200 0.150 0.000 0.957 83 S HN 0.219 8.617 8.310 0.147 0.000 0.584 84 V N -4.836 115.232 119.914 0.257 0.000 3.914 84 V HA 0.126 4.710 4.120 0.774 0.000 0.187 84 V C 0.889 176.997 176.094 0.023 0.000 1.258 84 V CA 0.794 63.272 62.300 0.298 0.000 1.298 84 V CB -0.166 31.725 31.823 0.113 0.000 1.453 84 V HN 0.030 8.298 8.190 0.130 0.000 0.553 85 V N -0.252 119.662 119.914 -0.001 0.000 2.215 85 V HA -0.319 3.747 4.120 -0.091 0.000 0.246 85 V C 0.949 177.033 176.094 -0.017 0.000 1.047 85 V CA 2.253 64.529 62.300 -0.040 0.000 0.999 85 V CB -0.776 31.039 31.823 -0.013 0.000 0.635 85 V HN -0.122 8.079 8.190 0.019 0.000 0.450 86 S N 0.970 116.695 115.700 0.042 0.000 2.946 86 S HA -0.068 4.426 4.470 0.040 0.000 0.349 86 S C -0.892 173.774 174.600 0.110 0.000 1.189 86 S CA -0.470 57.770 58.200 0.066 0.000 1.285 86 S CB 0.109 63.358 63.200 0.081 0.000 1.010 86 S HN -0.104 8.234 8.310 0.046 0.000 0.538 87 P HA -0.034 4.457 4.420 0.119 0.000 0.222 87 P C 0.876 178.265 177.300 0.148 0.000 1.147 87 P CA 1.715 64.873 63.100 0.096 0.000 0.790 87 P CB 0.376 32.094 31.700 0.030 0.000 0.780 88 S N -1.562 114.203 115.700 0.108 0.000 2.356 88 S HA -0.324 4.191 4.470 0.075 0.000 0.223 88 S C 1.780 176.448 174.600 0.114 0.000 1.032 88 S CA 3.894 62.148 58.200 0.091 0.000 1.005 88 S CB -0.547 62.692 63.200 0.064 0.000 0.867 88 S HN 0.438 8.757 8.310 0.087 0.043 0.449 89 S N 2.503 118.293 115.700 0.150 0.000 2.395 89 S HA -0.201 4.338 4.470 0.116 0.000 0.225 89 S C 1.566 176.295 174.600 0.216 0.000 1.027 89 S CA 2.275 60.574 58.200 0.163 0.000 0.965 89 S CB -0.025 63.278 63.200 0.171 0.000 0.812 89 S HN -0.784 7.617 8.310 0.152 0.000 0.482 90 F N 5.008 125.031 119.950 0.121 0.000 2.011 90 F HA -0.434 4.237 4.527 0.241 0.000 0.296 90 F C 1.679 177.535 175.800 0.094 0.000 1.144 90 F CA 4.673 62.765 58.000 0.154 0.000 1.185 90 F CB -0.005 39.078 39.000 0.138 0.000 0.961 90 F HN -0.301 8.244 8.300 0.408 0.000 0.485 91 E N -2.417 117.948 120.200 0.276 0.000 2.097 91 E HA -0.495 3.935 4.350 0.132 0.000 0.196 91 E C 2.583 179.196 176.600 0.022 0.000 1.000 91 E CA 3.471 59.948 56.400 0.129 0.000 0.804 91 E CB -0.491 29.276 29.700 0.111 0.000 0.740 91 E HN -0.521 8.048 8.360 0.347 0.000 0.454 92 N N -0.726 117.985 118.700 0.020 0.000 2.022 92 N HA -0.336 4.354 4.740 -0.084 0.000 0.194 92 N C 2.356 177.799 175.510 -0.111 0.000 1.057 92 N CA 3.334 56.348 53.050 -0.060 0.000 0.849 92 N CB 0.157 38.614 38.487 -0.050 0.000 1.044 92 N HN -0.880 7.467 8.380 0.070 0.075 0.424 93 V N -0.186 119.715 119.914 -0.021 0.000 2.313 93 V HA -0.547 3.677 4.120 0.173 0.000 0.253 93 V C 2.270 178.350 176.094 -0.023 0.000 1.070 93 V CA 3.752 66.116 62.300 0.107 0.000 1.057 93 V CB -1.058 30.905 31.823 0.233 0.000 0.653 93 V HN 0.640 8.747 8.190 0.045 0.110 0.450 94 K N 0.434 120.755 120.400 -0.132 0.000 1.965 94 K HA -0.301 3.898 4.320 -0.202 0.000 0.214 94 K C 2.122 178.654 176.600 -0.114 0.000 1.046 94 K CA 3.162 59.354 56.287 -0.159 0.000 0.944 94 K CB -0.101 32.307 32.500 -0.153 0.000 0.726 94 K HN -0.301 7.854 8.250 -0.137 0.012 0.441 95 E N -4.036 116.101 120.200 -0.104 0.000 2.494 95 E HA -0.083 4.210 4.350 -0.094 0.000 0.193 95 E C 1.389 177.897 176.600 -0.153 0.000 1.074 95 E CA 1.883 58.220 56.400 -0.105 0.000 0.867 95 E CB -0.808 28.844 29.700 -0.079 0.000 0.924 95 E HN -0.543 7.762 8.360 -0.091 0.000 0.502 96 K N -1.212 119.060 120.400 -0.214 0.000 2.380 96 K HA 0.145 4.271 4.320 -0.323 0.000 0.200 96 K C 0.162 176.508 176.600 -0.423 0.000 1.201 96 K CA 0.948 57.003 56.287 -0.385 0.000 0.916 96 K CB 1.019 33.184 32.500 -0.558 0.000 1.187 96 K HN 0.032 7.963 8.250 -0.182 0.210 0.498 97 W N -2.857 118.373 121.300 -0.118 0.000 2.640 97 W HA 0.082 4.672 4.660 -0.117 0.000 0.271 97 W C 1.297 177.701 176.519 -0.191 0.000 1.218 97 W CA 1.226 58.489 57.345 -0.137 0.000 1.382 97 W CB 1.654 31.036 29.460 -0.129 0.000 1.067 97 W HN -0.021 7.961 8.180 -0.104 0.136 0.590 98 V N 0.676 120.592 119.914 0.003 0.000 2.231 98 V HA -0.461 3.515 4.120 -0.240 0.000 0.248 98 V C 0.066 176.058 176.094 -0.170 0.000 1.054 98 V CA 6.588 68.797 62.300 -0.152 0.000 1.015 98 V CB -2.556 29.175 31.823 -0.152 0.000 0.638 98 V HN -0.610 7.580 8.190 -0.001 0.000 0.444 99 P HA -0.144 4.215 4.420 -0.101 0.000 0.222 99 P C 1.369 178.630 177.300 -0.064 0.000 1.147 99 P CA 2.658 65.701 63.100 -0.094 0.000 0.790 99 P CB -0.538 31.110 31.700 -0.086 0.000 0.780 100 E N -1.586 118.602 120.200 -0.019 0.000 2.158 100 E HA -0.171 4.209 4.350 0.050 0.000 0.191 100 E C 2.221 178.846 176.600 0.041 0.000 0.982 100 E CA 2.660 59.103 56.400 0.071 0.000 0.823 100 E CB -0.631 29.216 29.700 0.245 0.000 0.766 100 E HN -0.777 7.409 8.360 -0.011 0.167 0.468 101 I N -2.379 118.131 120.570 -0.101 0.000 2.381 101 I HA -0.392 3.625 4.170 -0.256 0.000 0.255 101 I C 1.516 177.494 176.117 -0.232 0.000 1.140 101 I CA 3.310 64.447 61.300 -0.272 0.000 1.404 101 I CB -0.698 36.954 38.000 -0.581 0.000 1.075 101 I HN -0.085 7.948 8.210 -0.112 0.109 0.433 102 T N -1.926 112.549 114.554 -0.131 0.000 2.857 102 T HA -0.198 4.328 4.350 -0.074 -0.221 0.266 102 T C 1.505 176.196 174.700 -0.014 0.000 1.048 102 T CA 3.025 65.088 62.100 -0.062 0.000 1.139 102 T CB -0.394 68.457 68.868 -0.027 0.000 0.874 102 T HN -0.649 7.477 8.240 -0.119 0.042 0.455 103 H N 2.238 121.262 119.070 -0.076 0.000 2.387 103 H HA -0.287 4.224 4.556 -0.077 0.000 0.299 103 H C 1.581 176.822 175.328 -0.145 0.000 1.090 103 H CA 3.338 59.337 56.048 -0.083 0.000 1.332 103 H CB 0.158 29.892 29.762 -0.048 0.000 1.386 103 H HN -0.301 7.943 8.280 0.125 0.111 0.516 104 H N -5.142 113.869 119.070 -0.099 0.000 2.582 104 H HA 0.045 4.539 4.556 -0.105 0.000 0.269 104 H C -1.251 173.857 175.328 -0.366 0.000 0.962 104 H CA 2.538 58.473 56.048 -0.189 0.000 1.230 104 H CB 2.511 32.157 29.762 -0.193 0.000 1.445 104 H HN -0.661 7.657 8.280 0.082 0.011 0.528 105 C N -0.349 118.744 119.300 -0.344 0.000 2.362 105 C HA 0.499 4.821 4.460 -0.230 0.000 0.309 105 C C -1.561 173.386 174.990 -0.071 0.000 1.110 105 C CA -2.631 56.181 59.018 -0.343 0.000 1.485 105 C CB 0.959 28.354 27.740 -0.576 0.000 1.949 105 C HN 0.087 7.977 8.230 -0.246 0.193 0.419 106 P HA -0.203 4.214 4.420 -0.005 0.000 0.213 106 P C -0.625 176.707 177.300 0.054 0.000 1.176 106 P CA 2.211 65.324 63.100 0.021 0.000 0.919 106 P CB 0.374 32.097 31.700 0.039 0.000 0.791 107 K N -4.658 115.796 120.400 0.089 0.000 3.066 107 K HA 0.143 4.539 4.320 0.126 0.000 0.168 107 K C -1.676 174.996 176.600 0.119 0.000 1.076 107 K CA -0.666 55.684 56.287 0.104 0.000 1.082 107 K CB -0.851 31.692 32.500 0.070 0.000 0.700 107 K HN -0.150 8.162 8.250 0.103 0.000 0.403 108 T N -0.145 114.512 114.554 0.172 0.000 2.927 108 T HA 0.299 4.721 4.350 0.120 0.000 0.281 108 T C -1.644 173.162 174.700 0.176 0.000 0.998 108 T CA -3.117 59.096 62.100 0.188 0.000 1.019 108 T CB 0.038 69.083 68.868 0.295 0.000 1.061 108 T HN -0.624 7.727 8.240 0.185 0.000 0.518 109 P HA 0.056 4.275 4.420 -0.334 0.000 0.267 109 P C -1.946 175.400 177.300 0.077 0.000 1.209 109 P CA -0.117 62.932 63.100 -0.086 0.000 0.763 109 P CB 0.301 31.966 31.700 -0.059 0.000 0.816 110 F N -0.823 119.218 119.950 0.151 0.000 2.449 110 F HA 0.202 4.979 4.527 0.279 -0.083 0.342 110 F C -2.177 173.709 175.800 0.142 0.000 1.127 110 F CA -2.853 55.250 58.000 0.171 0.000 0.975 110 F CB 1.755 40.801 39.000 0.078 0.000 1.146 110 F HN -0.443 7.189 8.300 -1.113 0.000 0.444 111 L N 3.687 125.095 121.223 0.309 0.000 2.257 111 L HA 0.232 4.767 4.340 0.325 0.000 0.290 111 L C -1.661 175.283 176.870 0.124 0.000 1.044 111 L CA -0.869 54.121 54.840 0.251 0.000 0.810 111 L CB 1.990 44.158 42.059 0.181 0.000 1.193 111 L HN 0.885 9.187 8.230 0.311 0.115 0.425 112 L N 6.924 128.119 121.223 -0.046 0.000 2.270 112 L HA 0.210 4.451 4.340 -0.165 0.000 0.286 112 L C -1.815 174.439 176.870 -1.026 0.000 1.059 112 L CA -1.105 53.477 54.840 -0.429 0.000 0.839 112 L CB 1.074 42.917 42.059 -0.360 0.000 1.221 112 L HN 0.318 8.691 8.230 0.239 0.000 0.431 113 V N 3.056 122.785 119.914 -0.309 0.000 2.483 113 V HA 0.427 4.354 4.120 -0.322 0.000 0.295 113 V C -1.565 174.405 176.094 -0.206 0.000 1.035 113 V CA -3.125 59.060 62.300 -0.192 0.000 0.896 113 V CB 2.317 34.071 31.823 -0.115 0.000 0.986 113 V HN -0.524 7.580 8.190 -0.144 0.000 0.447 114 G N 2.213 110.664 108.800 -0.582 0.000 2.733 114 G HA2 0.139 2.057 3.960 -3.634 0.000 0.297 114 G HA3 0.139 3.541 3.960 -0.906 0.014 0.297 114 G C -2.279 172.208 174.900 -0.688 0.000 1.452 114 G CA 0.147 44.396 45.100 -1.418 0.000 0.940 114 G HN -0.166 8.000 8.290 -0.206 0.000 0.547 115 T N 0.542 114.837 114.554 -0.432 0.000 3.013 115 T HA 0.055 4.334 4.350 -0.118 0.000 0.359 115 T C -2.498 172.133 174.700 -0.115 0.000 1.845 115 T CA -0.044 61.954 62.100 -0.170 0.000 1.075 115 T CB 1.994 70.819 68.868 -0.073 0.000 1.727 115 T HN -0.211 7.756 8.240 -0.455 0.000 0.503 116 Q N 4.107 123.875 119.800 -0.054 0.000 3.088 116 Q HA 0.270 4.588 4.340 -0.035 0.000 0.205 116 Q C -0.699 175.294 176.000 -0.011 0.000 0.782 116 Q CA 0.290 56.073 55.803 -0.034 0.000 0.897 116 Q CB 1.422 30.139 28.738 -0.034 0.000 1.495 116 Q HN 0.336 8.586 8.270 -0.032 0.000 0.459 117 I N -1.465 119.102 120.570 -0.004 0.000 3.265 117 I HA 0.349 4.590 4.170 -0.000 -0.071 0.282 117 I C 0.158 176.279 176.117 0.006 0.000 1.207 117 I CA 0.764 62.066 61.300 0.002 0.000 1.449 117 I CB 1.084 39.087 38.000 0.004 0.000 1.121 117 I HN 0.953 9.161 8.210 -0.004 0.000 0.442 118 D N 0.623 121.031 120.400 0.014 0.000 2.369 118 D HA -0.114 4.533 4.640 0.013 0.000 0.231 118 D C 1.451 177.767 176.300 0.027 0.000 0.967 118 D CA 1.918 55.932 54.000 0.022 0.000 0.905 118 D CB 1.584 42.408 40.800 0.040 0.000 1.044 118 D HN -0.490 7.889 8.370 0.015 0.000 0.487 119 L N -0.716 120.526 121.223 0.031 0.000 1.988 119 L HA -0.190 4.175 4.340 0.042 0.000 0.207 119 L C 0.081 176.959 176.870 0.014 0.000 1.071 119 L CA 2.434 57.290 54.840 0.027 0.000 0.744 119 L CB -0.306 41.759 42.059 0.009 0.000 0.893 119 L HN -0.350 7.897 8.230 0.028 0.000 0.433 120 R N -2.231 118.273 120.500 0.007 0.000 2.954 120 R HA -0.131 4.216 4.340 0.010 0.000 0.276 120 R C -0.953 175.351 176.300 0.006 0.000 1.218 120 R CA -0.040 56.065 56.100 0.007 0.000 1.149 120 R CB 0.282 30.585 30.300 0.005 0.000 1.112 120 R HN -0.298 7.974 8.270 0.002 0.000 0.577 121 D N -5.532 114.870 120.400 0.003 0.000 2.956 121 D HA -0.271 4.368 4.640 -0.003 0.000 0.223 121 D C -1.525 174.777 176.300 0.003 0.000 1.102 121 D CA 0.847 54.847 54.000 0.000 0.000 0.797 121 D CB -1.180 39.620 40.800 -0.001 0.000 1.094 121 D HN 0.084 8.456 8.370 0.004 0.000 0.438 122 D N -0.058 120.346 120.400 0.006 0.000 2.387 122 D HA 0.335 4.979 4.640 0.006 0.000 0.255 122 D C -0.913 175.390 176.300 0.006 0.000 1.081 122 D CA -2.282 51.722 54.000 0.007 0.000 0.994 122 D CB 1.588 42.394 40.800 0.011 0.000 1.127 122 D HN -0.254 8.120 8.370 0.007 0.000 0.513 123 P HA -0.146 4.277 4.420 0.004 0.000 0.223 123 P C 0.768 178.072 177.300 0.007 0.000 1.144 123 P CA 2.087 65.191 63.100 0.006 0.000 0.783 123 P CB 0.424 32.128 31.700 0.006 0.000 0.771 124 S N -4.028 111.677 115.700 0.010 0.000 2.371 124 S HA -0.112 4.364 4.470 0.011 0.000 0.221 124 S C 1.519 176.125 174.600 0.011 0.000 1.036 124 S CA 2.742 60.950 58.200 0.012 0.000 0.965 124 S CB -0.661 62.549 63.200 0.016 0.000 0.845 124 S HN -0.278 7.981 8.310 0.011 0.058 0.475 125 T N 4.247 118.808 114.554 0.011 0.000 2.570 125 T HA -0.385 3.973 4.350 0.013 0.000 0.266 125 T C 2.057 176.758 174.700 0.001 0.000 1.071 125 T CA 3.619 65.723 62.100 0.008 0.000 1.172 125 T CB -0.680 68.191 68.868 0.005 0.000 0.864 125 T HN -0.781 7.466 8.240 0.011 0.000 0.421 126 I N 0.881 121.450 120.570 -0.002 0.000 2.194 126 I HA -0.564 3.600 4.170 -0.009 0.000 0.246 126 I C 1.733 177.849 176.117 -0.002 0.000 1.093 126 I CA 4.090 65.387 61.300 -0.005 0.000 1.355 126 I CB -0.609 37.388 38.000 -0.004 0.000 1.046 126 I HN -0.637 7.572 8.210 -0.000 0.000 0.413 127 E N -1.454 118.747 120.200 0.002 0.000 2.070 127 E HA -0.395 3.957 4.350 0.002 0.000 0.197 127 E C 1.225 177.827 176.600 0.004 0.000 1.004 127 E CA 3.133 59.535 56.400 0.004 0.000 0.805 127 E CB -0.217 29.487 29.700 0.006 0.000 0.744 127 E HN -0.312 7.958 8.360 0.003 0.091 0.451 128 K N -2.682 117.721 120.400 0.005 0.000 2.137 128 K HA -0.082 4.243 4.320 0.008 0.000 0.202 128 K C 2.298 178.898 176.600 0.000 0.000 1.052 128 K CA 1.697 57.988 56.287 0.007 0.000 0.961 128 K CB 0.149 32.657 32.500 0.014 0.000 0.741 128 K HN -0.600 7.565 8.250 0.006 0.089 0.452 129 L N 0.563 121.782 121.223 -0.007 0.000 2.197 129 L HA -0.392 3.933 4.340 -0.025 0.000 0.215 129 L C 1.072 177.934 176.870 -0.014 0.000 1.095 129 L CA 3.329 58.158 54.840 -0.018 0.000 0.764 129 L CB -0.129 41.915 42.059 -0.024 0.000 0.897 129 L HN 0.537 8.586 8.230 -0.005 0.178 0.436 130 A N -2.415 120.401 122.820 -0.007 0.000 2.067 130 A HA -0.296 4.020 4.320 -0.007 0.000 0.219 130 A C 1.816 179.398 177.584 -0.003 0.000 1.158 130 A CA 2.844 54.878 52.037 -0.005 0.000 0.661 130 A CB -0.890 18.109 19.000 -0.002 0.000 0.801 130 A HN -0.302 7.803 8.150 -0.005 0.042 0.452 131 K N -1.214 119.186 120.400 -0.001 0.000 2.044 131 K HA -0.214 4.108 4.320 0.003 0.000 0.204 131 K C 1.870 178.471 176.600 0.002 0.000 1.049 131 K CA 2.361 58.650 56.287 0.003 0.000 0.945 131 K CB 0.076 32.580 32.500 0.007 0.000 0.724 131 K HN 0.366 8.433 8.250 -0.001 0.182 0.440 132 N N -1.841 116.858 118.700 -0.001 0.000 2.289 132 N HA -0.134 4.609 4.740 0.005 0.000 0.184 132 N C -0.356 175.150 175.510 -0.007 0.000 1.016 132 N CA 1.053 54.101 53.050 -0.004 0.000 0.872 132 N CB 0.258 38.735 38.487 -0.017 0.000 0.973 132 N HN -0.681 7.697 8.380 -0.004 0.000 0.433 133 K N -3.713 116.682 120.400 -0.009 0.000 3.244 133 K HA -0.336 3.979 4.320 -0.009 0.000 0.270 133 K C -1.350 175.243 176.600 -0.012 0.000 1.016 133 K CA 1.102 57.384 56.287 -0.008 0.000 0.754 133 K CB -2.170 30.328 32.500 -0.003 0.000 1.326 133 K HN -0.336 7.875 8.250 -0.010 0.033 0.465 134 Q N -1.286 118.501 119.800 -0.022 0.000 2.061 134 Q HA -0.009 4.320 4.340 -0.018 0.000 0.159 134 Q C -1.557 174.425 176.000 -0.029 0.000 0.530 134 Q CA 0.624 56.411 55.803 -0.027 0.000 0.728 134 Q CB 2.018 30.730 28.738 -0.044 0.000 1.004 134 Q HN 0.024 8.279 8.270 -0.026 0.000 0.426 135 K N -2.673 117.701 120.400 -0.044 0.000 3.076 135 K HA 0.163 4.465 4.320 -0.030 0.000 0.314 135 K C -2.851 173.716 176.600 -0.055 0.000 1.113 135 K CA -1.253 55.011 56.287 -0.038 0.000 0.860 135 K CB 1.156 33.639 32.500 -0.027 0.000 1.435 135 K HN -0.372 7.842 8.250 -0.060 0.000 0.374 136 P HA -0.130 4.259 4.420 -0.052 0.000 0.254 136 P C -0.603 176.664 177.300 -0.055 0.000 1.186 136 P CA 0.191 63.264 63.100 -0.045 0.000 0.868 136 P CB -0.577 31.108 31.700 -0.026 0.000 0.856 137 I N 4.307 124.819 120.570 -0.097 0.000 2.943 137 I HA -0.455 3.657 4.170 -0.098 0.000 0.296 137 I C 0.097 176.196 176.117 -0.031 0.000 1.220 137 I CA 0.938 62.175 61.300 -0.106 0.000 1.409 137 I CB -0.917 36.938 38.000 -0.241 0.000 1.374 137 I HN -0.117 8.019 8.210 -0.123 0.000 0.545 138 T N 5.945 120.500 114.554 0.003 0.000 2.919 138 T HA 0.500 4.859 4.350 0.015 0.000 0.282 138 T C -0.790 173.946 174.700 0.060 0.000 1.020 138 T CA -3.055 59.059 62.100 0.024 0.000 0.994 138 T CB 1.149 70.028 68.868 0.018 0.000 1.180 138 T HN -0.445 7.797 8.240 0.003 0.000 0.566 139 P HA -0.129 4.348 4.420 0.094 0.000 0.221 139 P C 0.741 178.108 177.300 0.112 0.000 1.145 139 P CA 2.172 65.322 63.100 0.083 0.000 0.795 139 P CB 0.107 31.843 31.700 0.059 0.000 0.775 140 E N -3.060 117.193 120.200 0.087 0.000 2.060 140 E HA -0.195 4.208 4.350 0.088 0.000 0.189 140 E C 1.712 178.380 176.600 0.114 0.000 0.974 140 E CA 2.368 58.820 56.400 0.086 0.000 0.808 140 E CB -0.435 29.298 29.700 0.055 0.000 0.768 140 E HN -0.355 7.990 8.360 0.066 0.055 0.453 141 T N 2.958 117.579 114.554 0.111 0.000 2.665 141 T HA -0.451 3.962 4.350 0.105 0.000 0.268 141 T C 1.620 176.474 174.700 0.255 0.000 1.035 141 T CA 4.548 66.728 62.100 0.133 0.000 1.151 141 T CB -0.540 68.370 68.868 0.070 0.000 0.862 141 T HN -0.646 7.645 8.240 0.085 0.000 0.438 142 A N -0.508 122.522 122.820 0.350 0.000 1.917 142 A HA -0.421 4.361 4.320 0.770 0.000 0.219 142 A C 1.486 179.357 177.584 0.477 0.000 1.182 142 A CA 3.566 55.948 52.037 0.575 0.000 0.633 142 A CB -0.992 18.360 19.000 0.588 0.000 0.819 142 A HN -0.461 7.855 8.150 0.277 0.000 0.448 143 E N -2.301 118.073 120.200 0.291 0.000 2.110 143 E HA -0.338 4.038 4.350 0.043 0.000 0.193 143 E C 2.066 178.711 176.600 0.076 0.000 0.988 143 E CA 3.126 59.599 56.400 0.122 0.000 0.804 143 E CB -0.265 29.477 29.700 0.069 0.000 0.745 143 E HN -0.417 7.998 8.360 0.254 0.098 0.458 144 K N -0.414 120.056 120.400 0.117 0.000 2.020 144 K HA -0.295 4.057 4.320 0.054 0.000 0.212 144 K C 2.444 179.102 176.600 0.096 0.000 1.050 144 K CA 3.030 59.370 56.287 0.089 0.000 0.929 144 K CB -0.471 32.088 32.500 0.097 0.000 0.714 144 K HN -0.834 7.391 8.250 0.147 0.113 0.443 145 L N -1.788 119.532 121.223 0.161 0.000 2.042 145 L HA -0.382 4.029 4.340 0.118 0.000 0.210 145 L C 1.364 178.291 176.870 0.095 0.000 1.076 145 L CA 3.114 58.039 54.840 0.143 0.000 0.749 145 L CB -0.307 41.866 42.059 0.190 0.000 0.893 145 L HN -0.587 7.777 8.230 0.224 0.000 0.432 146 A N -1.129 121.753 122.820 0.103 0.000 1.917 146 A HA -0.375 4.033 4.320 0.148 0.000 0.219 146 A C 2.136 179.687 177.584 -0.055 0.000 1.182 146 A CA 2.959 54.987 52.037 -0.014 0.000 0.633 146 A CB -0.813 17.852 19.000 -0.559 0.000 0.819 146 A HN -0.388 7.782 8.150 0.162 0.077 0.448 147 R N -2.543 117.929 120.500 -0.047 0.000 2.073 147 R HA -0.321 3.986 4.340 -0.056 0.000 0.234 147 R C 1.861 178.161 176.300 -0.001 0.000 1.134 147 R CA 3.082 59.162 56.100 -0.033 0.000 0.952 147 R CB -0.136 30.152 30.300 -0.020 0.000 0.850 147 R HN -0.442 7.713 8.270 -0.033 0.095 0.433 148 D N -1.749 118.663 120.400 0.020 0.000 2.117 148 D HA -0.169 4.485 4.640 0.022 0.000 0.197 148 D C 1.979 178.298 176.300 0.032 0.000 0.987 148 D CA 2.715 56.732 54.000 0.028 0.000 0.829 148 D CB 0.385 41.209 40.800 0.040 0.000 0.961 148 D HN -0.645 7.671 8.370 0.029 0.072 0.460 149 L N -5.694 115.555 121.223 0.043 0.000 2.270 149 L HA 0.073 4.446 4.340 0.055 0.000 0.210 149 L C -0.221 176.690 176.870 0.068 0.000 1.104 149 L CA 0.621 55.499 54.840 0.063 0.000 0.804 149 L CB 0.651 42.760 42.059 0.083 0.000 0.937 149 L HN -0.350 7.907 8.230 0.045 0.000 0.450 150 K N -1.567 118.855 120.400 0.036 0.000 6.958 150 K HA -0.382 3.942 4.320 -0.021 -0.017 0.778 150 K C -1.688 174.919 176.600 0.012 0.000 2.415 150 K CA 0.730 57.021 56.287 0.008 0.000 1.749 150 K CB -0.382 32.122 32.500 0.007 0.000 2.102 150 K HN -0.138 7.898 8.250 0.023 0.228 0.285 151 A N 0.846 123.646 122.820 -0.033 0.000 2.806 151 A HA 0.079 4.313 4.320 -0.143 0.000 0.310 151 A C -1.253 176.285 177.584 -0.077 0.000 1.169 151 A CA -0.643 51.358 52.037 -0.059 0.000 0.621 151 A CB 1.248 20.306 19.000 0.096 0.000 1.412 151 A HN -0.200 7.914 8.150 -0.060 0.000 0.576 152 V N 0.623 120.506 119.914 -0.051 0.000 3.305 152 V HA -0.188 3.899 4.120 -0.055 0.000 0.269 152 V C -0.335 175.747 176.094 -0.020 0.000 1.157 152 V CA 0.671 62.953 62.300 -0.029 0.000 1.157 152 V CB -0.156 31.667 31.823 0.001 0.000 0.772 152 V HN 0.436 8.602 8.190 -0.040 0.000 0.498 153 K N -4.768 115.578 120.400 -0.089 0.000 6.403 153 K HA -0.286 3.721 4.320 -0.522 0.000 0.612 153 K C -2.723 173.827 176.600 -0.085 0.000 2.544 153 K CA 0.477 56.620 56.287 -0.241 0.000 1.989 153 K CB -0.839 31.585 32.500 -0.126 0.000 2.658 153 K HN -0.437 7.686 8.250 -0.087 0.075 0.189 154 Y N -2.066 118.290 120.300 0.093 0.000 2.552 154 Y HA 0.428 5.045 4.550 0.113 0.000 0.337 154 Y C -2.556 173.420 175.900 0.126 0.000 1.094 154 Y CA -2.268 55.904 58.100 0.119 0.000 1.028 154 Y CB 2.010 40.556 38.460 0.145 0.000 1.321 154 Y HN -0.473 7.367 8.280 -0.734 0.000 0.456 155 V N -3.278 116.823 119.914 0.311 0.000 2.737 155 V HA 0.399 4.673 4.120 0.255 0.000 0.298 155 V C -2.307 173.908 176.094 0.201 0.000 1.163 155 V CA -1.633 60.802 62.300 0.225 0.000 0.925 155 V CB 1.506 33.410 31.823 0.134 0.000 1.037 155 V HN -0.056 8.323 8.190 0.316 0.000 0.433 156 E N 2.312 122.612 120.200 0.167 0.000 2.401 156 E HA 0.206 4.617 4.350 0.101 0.000 0.283 156 E C -2.366 174.278 176.600 0.074 0.000 1.053 156 E CA -0.584 55.894 56.400 0.129 0.000 0.842 156 E CB 3.572 33.391 29.700 0.199 0.000 1.222 156 E HN 0.076 8.538 8.360 0.169 0.000 0.429 157 C N -0.890 118.434 119.300 0.041 0.000 2.604 157 C HA 0.584 5.056 4.460 0.019 0.000 0.416 157 C C -0.514 174.479 174.990 0.006 0.000 1.566 157 C CA -2.816 56.213 59.018 0.018 0.000 1.812 157 C CB 3.484 31.230 27.740 0.010 0.000 2.028 157 C HN 0.174 8.422 8.230 0.031 0.000 0.489 158 S N 1.086 116.786 115.700 0.000 0.000 2.632 158 S HA 0.134 4.596 4.470 -0.013 0.000 0.271 158 S C 0.367 174.978 174.600 0.020 0.000 1.260 158 S CA -0.221 57.980 58.200 0.001 0.000 1.010 158 S CB 0.899 64.102 63.200 0.005 0.000 0.965 158 S HN 0.101 8.412 8.310 0.002 0.000 0.534 159 A N 0.487 123.333 122.820 0.043 0.000 2.206 159 A HA -0.170 4.172 4.320 0.038 0.000 0.286 159 A C 1.364 178.999 177.584 0.086 0.000 1.334 159 A CA 1.155 53.242 52.037 0.083 0.000 0.843 159 A CB 0.441 19.550 19.000 0.182 0.000 1.169 159 A HN 0.084 8.250 8.150 0.027 0.000 0.511 160 L N -6.667 114.607 121.223 0.085 0.000 3.412 160 L HA -0.538 3.790 4.340 -0.020 0.000 0.253 160 L C 0.766 177.631 176.870 -0.007 0.000 4.367 160 L CA 2.898 57.746 54.840 0.015 0.000 0.793 160 L CB -2.180 39.885 42.059 0.011 0.000 3.488 160 L HN 0.700 8.998 8.230 0.114 0.000 0.786 161 T N -1.793 112.760 114.554 -0.001 0.000 2.815 161 T HA -0.087 4.252 4.350 -0.019 0.000 0.244 161 T C 0.267 174.954 174.700 -0.022 0.000 1.040 161 T CA 0.489 62.581 62.100 -0.013 0.000 1.176 161 T CB 0.956 69.819 68.868 -0.008 0.000 0.880 161 T HN 0.130 8.307 8.240 0.013 0.071 0.414 162 Q N -1.450 118.336 119.800 -0.022 0.000 2.979 162 Q HA -0.340 3.972 4.340 -0.046 0.000 0.108 162 Q C -1.307 174.668 176.000 -0.042 0.000 1.574 162 Q CA 1.020 56.797 55.803 -0.044 0.000 0.387 162 Q CB -1.697 27.004 28.738 -0.063 0.000 0.612 162 Q HN -0.294 7.969 8.270 -0.012 0.000 0.321 163 K N 3.662 124.038 120.400 -0.041 0.000 2.274 163 K HA 0.113 4.417 4.320 -0.027 0.000 0.219 163 K C 0.644 177.218 176.600 -0.043 0.000 1.058 163 K CA 0.326 56.595 56.287 -0.030 0.000 0.920 163 K CB 1.335 33.829 32.500 -0.011 0.000 1.124 163 K HN 0.186 8.410 8.250 -0.042 0.000 0.464 164 G N -0.776 107.996 108.800 -0.048 0.000 3.332 164 G HA2 0.151 4.091 3.960 -0.033 0.000 0.300 164 G HA3 0.151 4.059 3.960 -0.087 0.000 0.300 164 G C -1.341 173.526 174.900 -0.056 0.000 2.973 164 G CA 0.037 45.102 45.100 -0.058 0.000 0.684 164 G HN -0.403 7.865 8.290 -0.037 0.000 0.317 165 L N 1.213 122.346 121.223 -0.149 0.000 2.509 165 L HA 0.272 4.630 4.340 0.029 0.000 0.222 165 L C 1.311 178.129 176.870 -0.087 0.000 1.123 165 L CA -0.024 54.730 54.840 -0.144 0.000 0.856 165 L CB -0.340 41.410 42.059 -0.515 0.000 0.985 165 L HN -0.301 7.795 8.230 -0.223 0.000 0.456 166 K N 0.980 121.314 120.400 -0.109 0.000 2.059 166 K HA -0.386 3.929 4.320 -0.008 0.000 0.212 166 K C 1.534 178.210 176.600 0.126 0.000 1.050 166 K CA 3.078 59.365 56.287 0.001 0.000 0.927 166 K CB -0.641 31.849 32.500 -0.016 0.000 0.714 166 K HN 0.301 8.412 8.250 -0.144 0.052 0.447 167 N N -1.627 117.127 118.700 0.091 0.000 2.013 167 N HA -0.325 4.467 4.740 0.087 0.000 0.195 167 N C 2.118 177.724 175.510 0.160 0.000 1.051 167 N CA 2.759 55.870 53.050 0.103 0.000 0.851 167 N CB -0.924 37.605 38.487 0.070 0.000 1.044 167 N HN -0.370 8.036 8.380 0.050 0.004 0.422 168 V N 0.512 120.546 119.914 0.199 0.000 2.527 168 V HA -0.420 3.815 4.120 0.191 0.000 0.255 168 V C 1.182 177.480 176.094 0.340 0.000 1.081 168 V CA 2.845 65.298 62.300 0.256 0.000 1.092 168 V CB -0.231 31.776 31.823 0.307 0.000 0.673 168 V HN -0.145 8.148 8.190 0.171 0.000 0.470 169 F N 0.465 120.525 119.950 0.184 0.000 2.118 169 F HA -0.264 4.358 4.527 0.158 0.000 0.293 169 F C 1.309 177.147 175.800 0.064 0.000 1.102 169 F CA 2.477 60.577 58.000 0.167 0.000 1.247 169 F CB -0.167 38.969 39.000 0.225 0.000 1.017 169 F HN -0.304 8.124 8.300 0.463 0.151 0.475 170 D N -0.992 119.501 120.400 0.155 0.000 2.239 170 D HA -0.376 4.242 4.640 -0.036 0.000 0.202 170 D C 2.725 179.007 176.300 -0.031 0.000 0.993 170 D CA 3.824 57.836 54.000 0.020 0.000 0.874 170 D CB -0.256 40.572 40.800 0.046 0.000 0.922 170 D HN -0.089 8.362 8.370 0.244 0.065 0.464 171 E N -1.610 118.596 120.200 0.010 0.000 2.122 171 E HA -0.124 4.214 4.350 -0.020 0.000 0.190 171 E C 2.038 178.611 176.600 -0.044 0.000 0.977 171 E CA 2.296 58.693 56.400 -0.006 0.000 0.820 171 E CB 0.069 29.789 29.700 0.033 0.000 0.770 171 E HN -0.471 7.897 8.360 0.070 0.034 0.462 172 A N -0.404 122.381 122.820 -0.058 0.000 2.067 172 A HA -0.063 4.219 4.320 -0.063 0.000 0.217 172 A C 1.899 179.327 177.584 -0.259 0.000 1.156 172 A CA 2.614 54.582 52.037 -0.115 0.000 0.683 172 A CB -0.246 18.714 19.000 -0.066 0.000 0.808 172 A HN -0.520 7.535 8.150 -0.009 0.090 0.455 173 I N -3.785 116.558 120.570 -0.378 0.000 2.867 173 I HA -0.075 3.808 4.170 -0.479 0.000 0.265 173 I C 1.097 177.035 176.117 -0.299 0.000 1.162 173 I CA 0.617 61.639 61.300 -0.462 0.000 1.471 173 I CB 0.025 37.639 38.000 -0.642 0.000 1.123 173 I HN 0.523 8.402 8.210 -0.327 0.135 0.440 174 L N 0.693 121.798 121.223 -0.196 0.000 2.270 174 L HA -0.135 4.122 4.340 -0.138 0.000 0.210 174 L C 0.989 177.804 176.870 -0.092 0.000 1.104 174 L CA 2.346 57.110 54.840 -0.127 0.000 0.804 174 L CB -0.104 41.906 42.059 -0.081 0.000 0.937 174 L HN -0.472 7.557 8.230 -0.179 0.094 0.450 175 A N -1.285 121.481 122.820 -0.091 0.000 1.978 175 A HA -0.258 4.141 4.320 -0.047 -0.107 0.220 175 A C 0.376 177.929 177.584 -0.051 0.000 1.170 175 A CA 2.547 54.547 52.037 -0.061 0.000 0.636 175 A CB -0.430 18.537 19.000 -0.055 0.000 0.810 175 A HN -0.655 7.403 8.150 -0.109 0.026 0.448 176 A N -4.969 117.809 122.820 -0.070 0.000 2.030 176 A HA -0.062 4.246 4.320 -0.019 0.000 0.215 176 A C 0.856 178.435 177.584 -0.010 0.000 1.164 176 A CA 0.901 52.916 52.037 -0.037 0.000 0.697 176 A CB -0.101 18.874 19.000 -0.042 0.000 0.827 176 A HN -0.532 7.533 8.150 -0.109 0.019 0.457 177 L N -1.883 119.316 121.223 -0.038 0.000 2.129 177 L HA -0.249 4.128 4.340 0.063 0.000 0.212 177 L C 0.346 177.227 176.870 0.019 0.000 1.087 177 L CA 2.060 56.902 54.840 0.003 0.000 0.757 177 L CB 0.609 42.647 42.059 -0.035 0.000 0.896 177 L HN -0.626 7.443 8.230 -0.087 0.109 0.434 178 E N -2.813 117.387 120.200 0.001 0.000 2.248 178 E HA 0.254 4.609 4.350 0.009 0.000 0.272 178 E C -2.403 174.201 176.600 0.006 0.000 1.008 178 E CA -2.971 53.431 56.400 0.003 0.000 0.856 178 E CB -0.136 29.560 29.700 -0.006 0.000 1.120 178 E HN -0.703 7.619 8.360 -0.014 0.029 0.397 179 P HA -0.039 4.387 4.420 0.009 0.000 0.266 179 P C -1.899 175.404 177.300 0.005 0.000 1.193 179 P CA -0.563 62.541 63.100 0.007 0.000 0.770 179 P CB -0.265 31.438 31.700 0.004 0.000 0.836 180 P HA -0.008 4.417 4.420 0.009 0.000 0.274 180 P C -0.163 177.141 177.300 0.008 0.000 1.246 180 P CA -0.709 62.396 63.100 0.009 0.000 0.795 180 P CB 0.969 32.676 31.700 0.011 0.000 1.006 181 E N -0.540 119.666 120.200 0.011 0.000 2.035 181 E HA -0.178 4.175 4.350 0.006 0.000 0.204 181 E C -0.906 175.699 176.600 0.010 0.000 1.025 181 E CA 2.003 58.409 56.400 0.010 0.000 0.835 181 E CB -1.627 28.082 29.700 0.015 0.000 0.764 181 E HN 0.239 8.608 8.360 0.015 0.000 0.457 182 P HA 0.111 4.536 4.420 0.009 0.000 0.272 182 P C -1.684 175.620 177.300 0.005 0.000 1.240 182 P CA -0.375 62.731 63.100 0.010 0.000 0.791 182 P CB 0.507 32.215 31.700 0.013 0.000 0.978 183 K N 0.933 121.335 120.400 0.003 0.000 2.394 183 K HA 0.161 4.480 4.320 -0.000 0.000 0.260 183 K C -0.511 176.088 176.600 -0.003 0.000 0.967 183 K CA -0.590 55.697 56.287 -0.000 0.000 0.855 183 K CB 0.507 33.007 32.500 -0.000 0.000 1.101 183 K HN 0.217 8.469 8.250 0.004 0.000 0.433 184 K N 0.000 120.397 120.400 -0.005 0.000 2.780 184 K HA 0.000 4.315 4.320 -0.008 0.000 0.191 184 K CA 0.000 56.281 56.287 -0.009 0.000 0.838 184 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 184 K HN 0.000 8.247 8.250 -0.005 0.000 0.543