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 2l38_1_A DATA FIRST_RESID 1 DATA SEQUENCE ALAGTIIAGA SLTFQVLDKV LEELGKVSQK IAVGIDNESG GTWTALNAYF DATA SEQUENCE RSGTTDVILP EFVPNTKALL YSGRKDTGPV ATGAVAAFAY YMSSGNTLGV DATA SEQUENCE MFSVPFDYNW YSNWWDVKIY SGKRRADQGM YEDLYYGNPY RGDNGWHEKN DATA SEQUENCE LGYGLRMKGI MTSAGEAKMQ IKISR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 4.311 4.320 -0.014 0.000 0.244 1 A C 0.000 177.578 177.584 -0.010 0.000 1.274 1 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 1 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 2 L N 0.195 121.411 121.223 -0.011 0.000 2.131 2 L HA -0.222 4.117 4.340 -0.002 0.000 0.210 2 L C 0.244 177.114 176.870 0.001 0.000 1.092 2 L CA 0.989 55.826 54.840 -0.005 0.000 0.759 2 L CB -0.036 42.018 42.059 -0.008 0.000 0.903 2 L HN 0.200 8.421 8.230 -0.015 0.000 0.435 3 A N -3.330 119.486 122.820 -0.007 0.000 2.448 3 A HA -0.110 4.219 4.320 0.015 0.000 0.239 3 A C -0.004 177.603 177.584 0.038 0.000 1.080 3 A CA 1.489 53.529 52.037 0.004 0.000 0.779 3 A CB 0.518 19.496 19.000 -0.037 0.000 1.026 3 A HN -0.240 7.899 8.150 -0.019 0.000 0.499 4 G N -2.299 106.560 108.800 0.097 0.000 2.195 4 G HA2 -0.190 4.034 3.960 0.266 0.000 0.224 4 G HA3 -0.190 3.845 3.960 0.124 0.000 0.224 4 G C -1.069 173.892 174.900 0.102 0.000 0.990 4 G CA 0.018 45.208 45.100 0.150 0.000 0.639 4 G HN 0.392 8.645 8.290 0.109 0.103 0.514 5 T N -3.635 110.959 114.554 0.067 0.000 3.047 5 T HA 0.184 4.557 4.350 0.039 0.000 0.340 5 T C -1.847 172.866 174.700 0.023 0.000 1.421 5 T CA -0.646 61.478 62.100 0.039 0.000 1.090 5 T CB 2.308 71.190 68.868 0.024 0.000 1.292 5 T HN -0.865 7.346 8.240 0.060 0.065 0.480 6 I N -0.449 120.126 120.570 0.008 0.000 3.095 6 I HA 0.414 4.581 4.170 -0.005 0.000 0.310 6 I C -1.351 174.753 176.117 -0.022 0.000 1.196 6 I CA -1.596 59.701 61.300 -0.005 0.000 0.985 6 I CB 4.863 42.864 38.000 0.002 0.000 1.250 6 I HN 0.073 8.211 8.210 0.001 0.073 0.446 7 I N 0.726 121.280 120.570 -0.027 0.000 3.360 7 I HA 0.054 4.202 4.170 -0.038 0.000 0.249 7 I C -0.431 175.660 176.117 -0.044 0.000 1.216 7 I CA -0.759 60.520 61.300 -0.035 0.000 0.905 7 I CB -0.074 37.907 38.000 -0.031 0.000 1.618 7 I HN -0.048 8.148 8.210 -0.024 0.000 0.853 8 A N -0.547 122.244 122.820 -0.048 0.000 2.131 8 A HA -0.246 4.111 4.320 -0.067 -0.078 0.220 8 A C 0.494 178.054 177.584 -0.041 0.000 1.158 8 A CA 1.984 53.990 52.037 -0.052 0.000 0.665 8 A CB -0.333 18.638 19.000 -0.048 0.000 0.795 8 A HN 0.338 8.461 8.150 -0.044 0.000 0.460 9 G N -4.888 103.891 108.800 -0.036 0.000 2.232 9 G HA2 -0.211 3.727 3.960 -0.037 0.000 0.226 9 G HA3 -0.211 3.736 3.960 -0.021 0.000 0.226 9 G C 0.428 175.306 174.900 -0.037 0.000 0.996 9 G CA 0.457 45.538 45.100 -0.032 0.000 0.626 9 G HN -0.179 8.016 8.290 -0.038 0.073 0.509 10 A N -1.334 121.465 122.820 -0.035 0.000 2.015 10 A HA -0.170 4.132 4.320 -0.031 0.000 0.219 10 A C 0.739 178.303 177.584 -0.033 0.000 1.163 10 A CA 1.720 53.737 52.037 -0.032 0.000 0.646 10 A CB -0.469 18.512 19.000 -0.030 0.000 0.806 10 A HN 0.237 8.284 8.150 -0.036 0.081 0.448 11 S N -4.131 111.548 115.700 -0.035 0.000 2.539 11 S HA -0.049 4.403 4.470 -0.031 0.000 0.221 11 S C -0.871 173.702 174.600 -0.045 0.000 0.987 11 S CA -0.612 57.567 58.200 -0.034 0.000 0.929 11 S CB 0.657 63.841 63.200 -0.028 0.000 0.832 11 S HN -0.308 7.958 8.310 -0.036 0.023 0.492 12 L N 2.240 123.427 121.223 -0.061 0.000 2.453 12 L HA -0.099 4.196 4.340 -0.076 0.000 0.272 12 L C -1.434 175.359 176.870 -0.130 0.000 1.182 12 L CA 0.896 55.681 54.840 -0.092 0.000 0.858 12 L CB 0.634 42.631 42.059 -0.104 0.000 1.120 12 L HN -0.993 7.078 8.230 -0.055 0.127 0.474 13 T N 3.553 118.023 114.554 -0.140 0.000 2.982 13 T HA 0.235 4.444 4.350 -0.235 0.000 0.321 13 T C -0.064 174.575 174.700 -0.103 0.000 1.229 13 T CA -1.173 60.839 62.100 -0.147 0.000 1.044 13 T CB 2.415 71.255 68.868 -0.047 0.000 1.184 13 T HN -0.679 7.495 8.240 -0.111 0.000 0.477 14 F N 4.773 124.714 119.950 -0.014 0.000 2.202 14 F HA -0.366 4.140 4.527 -0.035 0.000 0.301 14 F C 1.524 177.306 175.800 -0.030 0.000 1.082 14 F CA 2.895 60.877 58.000 -0.030 0.000 1.313 14 F CB -0.681 38.294 39.000 -0.042 0.000 1.024 14 F HN 0.321 8.541 8.300 -0.133 0.000 0.495 15 Q N -1.620 118.270 119.800 0.150 0.000 2.061 15 Q HA -0.335 4.045 4.340 0.067 0.000 0.204 15 Q C 2.138 178.164 176.000 0.043 0.000 0.984 15 Q CA 2.861 58.708 55.803 0.074 0.000 0.846 15 Q CB -1.113 27.655 28.738 0.050 0.000 0.902 15 Q HN 0.269 8.618 8.270 0.153 0.013 0.421 16 V N 1.403 121.335 119.914 0.030 0.000 2.270 16 V HA -0.351 3.773 4.120 0.008 0.000 0.245 16 V C 1.967 178.071 176.094 0.016 0.000 1.043 16 V CA 3.291 65.598 62.300 0.012 0.000 1.014 16 V CB -0.236 31.586 31.823 -0.003 0.000 0.645 16 V HN -0.721 7.486 8.190 0.028 0.000 0.447 17 L N -0.461 120.778 121.223 0.027 0.000 2.129 17 L HA -0.445 3.902 4.340 0.012 0.000 0.212 17 L C 1.852 178.743 176.870 0.035 0.000 1.087 17 L CA 3.116 57.977 54.840 0.035 0.000 0.757 17 L CB -1.409 40.686 42.059 0.061 0.000 0.896 17 L HN -0.130 8.114 8.230 0.024 0.000 0.434 18 D N -1.031 119.395 120.400 0.043 0.000 2.087 18 D HA -0.367 4.271 4.640 -0.003 0.000 0.192 18 D C 2.381 178.674 176.300 -0.011 0.000 0.993 18 D CA 3.754 57.759 54.000 0.009 0.000 0.828 18 D CB -0.302 40.503 40.800 0.009 0.000 0.968 18 D HN -0.252 8.111 8.370 0.061 0.044 0.448 19 K N -0.164 120.232 120.400 -0.007 0.000 2.097 19 K HA -0.228 4.081 4.320 -0.019 0.000 0.206 19 K C 2.565 179.155 176.600 -0.016 0.000 1.049 19 K CA 2.510 58.789 56.287 -0.013 0.000 0.933 19 K CB -0.279 32.216 32.500 -0.008 0.000 0.717 19 K HN -0.639 7.613 8.250 0.003 0.000 0.442 20 V N -0.270 119.637 119.914 -0.012 0.000 2.287 20 V HA -0.442 3.668 4.120 -0.016 0.000 0.248 20 V C 2.384 178.461 176.094 -0.027 0.000 1.053 20 V CA 4.184 66.475 62.300 -0.016 0.000 1.027 20 V CB -0.386 31.431 31.823 -0.010 0.000 0.646 20 V HN -0.095 8.092 8.190 -0.005 0.000 0.447 21 L N -3.344 117.860 121.223 -0.032 0.000 2.131 21 L HA -0.276 4.030 4.340 -0.057 0.000 0.210 21 L C 3.241 180.079 176.870 -0.052 0.000 1.092 21 L CA 2.519 57.329 54.840 -0.049 0.000 0.759 21 L CB -0.504 41.522 42.059 -0.055 0.000 0.903 21 L HN -0.462 7.754 8.230 -0.022 0.000 0.435 22 E N -1.425 118.749 120.200 -0.043 0.000 2.347 22 E HA -0.210 4.112 4.350 -0.046 0.000 0.196 22 E C 2.312 178.891 176.600 -0.035 0.000 1.008 22 E CA 2.104 58.480 56.400 -0.041 0.000 0.852 22 E CB -0.430 29.249 29.700 -0.035 0.000 0.783 22 E HN -0.614 7.620 8.360 -0.037 0.104 0.505 23 E N -0.355 119.825 120.200 -0.032 0.000 2.160 23 E HA -0.278 4.058 4.350 -0.024 0.000 0.195 23 E C 1.890 178.470 176.600 -0.034 0.000 0.991 23 E CA 2.355 58.738 56.400 -0.029 0.000 0.810 23 E CB -0.307 29.379 29.700 -0.024 0.000 0.742 23 E HN -0.467 7.725 8.360 -0.032 0.149 0.466 24 L N -2.000 119.196 121.223 -0.045 0.000 2.042 24 L HA -0.170 4.139 4.340 -0.052 0.000 0.210 24 L C 0.463 177.306 176.870 -0.046 0.000 1.076 24 L CA 1.383 56.191 54.840 -0.055 0.000 0.749 24 L CB 0.536 42.548 42.059 -0.078 0.000 0.893 24 L HN -0.808 7.365 8.230 -0.048 0.028 0.432 25 G N -4.566 104.208 108.800 -0.043 0.000 2.556 25 G HA2 0.075 4.017 3.960 -0.029 0.000 0.294 25 G HA3 0.075 4.013 3.960 -0.035 0.000 0.294 25 G C -2.231 172.649 174.900 -0.032 0.000 1.516 25 G CA -0.324 44.756 45.100 -0.035 0.000 0.824 25 G HN -0.965 7.298 8.290 -0.045 0.000 0.535 26 K N 2.473 122.858 120.400 -0.026 0.000 2.127 26 K HA 0.172 4.676 4.320 -0.027 -0.201 0.261 26 K C -0.587 176.000 176.600 -0.023 0.000 1.129 26 K CA -0.179 56.094 56.287 -0.024 0.000 0.993 26 K CB -0.879 31.610 32.500 -0.019 0.000 1.410 26 K HN 0.113 8.349 8.250 -0.023 0.000 0.380 27 V N -0.115 119.782 119.914 -0.027 0.000 3.078 27 V HA 0.423 4.532 4.120 -0.018 0.000 0.311 27 V C 0.113 176.189 176.094 -0.029 0.000 1.138 27 V CA -2.878 59.408 62.300 -0.024 0.000 1.007 27 V CB 3.393 35.201 31.823 -0.024 0.000 1.045 27 V HN -0.349 7.821 8.190 -0.033 0.000 0.432 28 S N 1.869 117.557 115.700 -0.021 0.000 2.881 28 S HA -0.083 4.367 4.470 -0.034 0.000 0.228 28 S C -1.076 173.502 174.600 -0.038 0.000 0.965 28 S CA 1.507 59.693 58.200 -0.023 0.000 0.998 28 S CB -1.223 61.978 63.200 0.003 0.000 0.795 28 S HN 0.202 8.504 8.310 -0.012 0.000 0.518 29 Q N -1.142 118.630 119.800 -0.047 0.000 2.263 29 Q HA 0.150 4.445 4.340 -0.076 0.000 0.266 29 Q C -1.911 174.047 176.000 -0.069 0.000 1.002 29 Q CA -0.753 55.017 55.803 -0.054 0.000 0.790 29 Q CB 1.766 30.493 28.738 -0.019 0.000 1.272 29 Q HN -0.844 7.267 8.270 -0.044 0.133 0.435 30 K N 3.324 123.668 120.400 -0.094 0.000 2.640 30 K HA 0.205 4.477 4.320 -0.080 0.000 0.245 30 K C -1.618 174.925 176.600 -0.094 0.000 0.962 30 K CA -0.565 55.667 56.287 -0.092 0.000 0.896 30 K CB 1.082 33.523 32.500 -0.099 0.000 1.147 30 K HN 0.133 8.309 8.250 -0.122 0.000 0.445 31 I N 3.105 123.624 120.570 -0.084 0.000 2.525 31 I HA 0.125 4.247 4.170 -0.079 0.000 0.301 31 I C -1.853 174.177 176.117 -0.145 0.000 0.992 31 I CA -1.519 59.722 61.300 -0.097 0.000 1.162 31 I CB 2.438 40.400 38.000 -0.063 0.000 1.332 31 I HN 0.259 8.418 8.210 -0.085 0.000 0.458 32 A N 6.922 129.647 122.820 -0.157 0.000 2.340 32 A HA 0.236 4.475 4.320 -0.135 0.000 0.297 32 A C -2.524 174.925 177.584 -0.225 0.000 1.195 32 A CA -1.303 50.650 52.037 -0.140 0.000 0.769 32 A CB 1.632 20.610 19.000 -0.037 0.000 1.163 32 A HN 0.061 8.130 8.150 -0.135 0.000 0.472 33 V N 3.452 123.189 119.914 -0.294 0.000 2.407 33 V HA 0.393 4.385 4.120 -0.214 0.000 0.291 33 V C -1.993 174.134 176.094 0.057 0.000 1.018 33 V CA -2.230 59.902 62.300 -0.280 0.000 0.842 33 V CB 2.055 33.389 31.823 -0.814 0.000 0.996 33 V HN -0.607 7.447 8.190 -0.227 0.000 0.426 34 G N 5.405 114.270 108.800 0.109 0.000 2.576 34 G HA2 0.506 4.644 3.960 0.282 0.000 0.290 34 G HA3 0.506 4.657 3.960 0.148 -0.102 0.290 34 G C -2.886 172.122 174.900 0.181 0.000 1.442 34 G CA -0.036 45.176 45.100 0.186 0.000 0.792 34 G HN -0.280 8.054 8.290 0.073 0.000 0.491 35 I N -1.721 118.974 120.570 0.208 0.000 2.569 35 I HA 0.668 5.190 4.170 0.213 -0.224 0.290 35 I C -1.119 175.174 176.117 0.294 0.000 1.088 35 I CA -1.231 60.219 61.300 0.250 0.000 1.047 35 I CB 3.843 41.971 38.000 0.212 0.000 1.237 35 I HN -0.407 7.928 8.210 0.208 0.000 0.421 36 D N 6.627 127.171 120.400 0.240 0.000 2.344 36 D HA -0.021 4.654 4.640 0.058 0.000 0.253 36 D C -0.610 175.778 176.300 0.147 0.000 1.255 36 D CA 0.637 54.720 54.000 0.137 0.000 0.894 36 D CB -0.056 40.800 40.800 0.094 0.000 1.067 36 D HN 0.023 8.526 8.370 0.223 0.000 0.492 37 N N 4.295 122.870 118.700 -0.209 0.000 2.498 37 N HA -0.186 4.092 4.740 -0.771 0.000 0.277 37 N C -1.143 174.170 175.510 -0.329 0.000 1.208 37 N CA 0.796 53.403 53.050 -0.738 0.000 1.029 37 N CB 0.064 37.704 38.487 -1.410 0.000 1.403 37 N HN 0.078 8.320 8.380 -0.230 0.000 0.500 38 E N 5.734 125.872 120.200 -0.103 0.000 4.017 38 E HA 0.174 4.459 4.350 -0.108 0.000 0.205 38 E C -1.671 174.928 176.600 -0.002 0.000 1.054 38 E CA -0.610 55.752 56.400 -0.063 0.000 1.398 38 E CB 0.713 30.389 29.700 -0.041 0.000 1.164 38 E HN -0.563 7.821 8.360 0.040 0.000 0.445 39 S N 0.335 116.048 115.700 0.022 0.000 2.559 39 S HA 0.109 4.611 4.470 0.054 0.000 0.226 39 S C 0.216 174.836 174.600 0.033 0.000 1.000 39 S CA 0.390 58.632 58.200 0.069 0.000 0.948 39 S CB 0.510 63.816 63.200 0.177 0.000 0.870 39 S HN 0.259 8.553 8.310 -0.027 0.000 0.497 40 G N 0.194 108.982 108.800 -0.020 0.000 2.147 40 G HA2 -0.284 3.644 3.960 -0.052 0.000 0.244 40 G HA3 -0.284 3.669 3.960 -0.011 0.000 0.244 40 G C -1.498 173.395 174.900 -0.012 0.000 1.005 40 G CA 0.255 45.339 45.100 -0.026 0.000 0.713 40 G HN 0.144 8.398 8.290 -0.061 0.000 0.515 41 G N -0.444 108.351 108.800 -0.008 0.000 2.760 41 G HA2 0.130 4.109 3.960 0.032 0.000 0.285 41 G HA3 0.130 4.162 3.960 0.120 0.000 0.285 41 G C -0.786 174.110 174.900 -0.008 0.000 1.496 41 G CA -1.236 43.890 45.100 0.043 0.000 1.026 41 G HN -0.390 7.876 8.290 -0.040 0.000 0.536 42 T N 8.058 122.603 114.554 -0.016 0.000 2.866 42 T HA -0.188 4.228 4.350 -0.162 -0.164 0.293 42 T C -0.044 174.777 174.700 0.202 0.000 1.005 42 T CA 2.088 64.177 62.100 -0.019 0.000 1.162 42 T CB 0.394 69.265 68.868 0.006 0.000 0.968 42 T HN 0.231 8.470 8.240 -0.001 0.000 0.530 43 W N 6.289 127.667 121.300 0.130 0.000 2.359 43 W HA 0.348 5.332 4.660 0.214 -0.196 0.344 43 W C 0.156 176.897 176.519 0.369 0.000 1.170 43 W CA -2.994 54.485 57.345 0.224 0.000 1.296 43 W CB 1.382 30.944 29.460 0.169 0.000 1.197 43 W HN -0.392 7.738 8.180 -0.083 0.000 0.618 44 T N 3.323 118.299 114.554 0.702 0.000 2.985 44 T HA 0.605 5.595 4.350 0.738 -0.197 0.315 44 T C -1.250 173.707 174.700 0.427 0.000 1.001 44 T CA -0.528 61.943 62.100 0.619 0.000 1.016 44 T CB 1.848 71.022 68.868 0.509 0.000 0.993 44 T HN 0.431 9.084 8.240 0.688 0.000 0.454 45 A N 8.504 131.461 122.820 0.228 0.000 2.425 45 A HA 0.137 4.216 4.320 -0.403 0.000 0.249 45 A C -0.609 176.915 177.584 -0.100 0.000 1.084 45 A CA -0.029 51.871 52.037 -0.229 0.000 0.781 45 A CB 0.801 19.474 19.000 -0.544 0.000 1.019 45 A HN 1.009 9.238 8.150 0.312 0.108 0.490 46 L N -0.711 120.443 121.223 -0.115 0.000 2.515 46 L HA 0.380 4.691 4.340 -0.048 0.000 0.202 46 L C 0.499 177.324 176.870 -0.074 0.000 1.056 46 L CA 0.531 55.334 54.840 -0.062 0.000 0.847 46 L CB 0.211 42.254 42.059 -0.026 0.000 1.131 46 L HN 0.442 8.579 8.230 -0.155 0.000 0.484 47 N N -0.192 118.463 118.700 -0.076 0.000 3.020 47 N HA 0.058 4.759 4.740 -0.064 0.000 0.248 47 N C -2.646 172.858 175.510 -0.010 0.000 1.480 47 N CA 0.248 53.270 53.050 -0.046 0.000 0.874 47 N CB 2.781 41.260 38.487 -0.015 0.000 1.433 47 N HN -0.509 7.818 8.380 -0.087 0.000 0.530 48 A N -0.588 122.259 122.820 0.046 0.000 2.402 48 A HA 0.138 4.646 4.320 0.313 0.000 0.291 48 A C -2.296 175.376 177.584 0.146 0.000 1.051 48 A CA -0.449 51.710 52.037 0.203 0.000 0.716 48 A CB 1.963 21.089 19.000 0.210 0.000 1.223 48 A HN 0.093 8.250 8.150 0.012 0.000 0.425 49 Y N 6.642 126.994 120.300 0.087 0.000 2.328 49 Y HA 0.145 4.512 4.550 -0.305 0.000 0.337 49 Y C -2.889 173.052 175.900 0.069 0.000 1.008 49 Y CA -0.671 57.380 58.100 -0.082 0.000 1.129 49 Y CB 1.193 39.616 38.460 -0.062 0.000 1.185 49 Y HN -0.338 8.140 8.280 0.329 0.000 0.476 50 F N 2.800 122.455 119.950 -0.492 0.000 2.686 50 F HA 0.439 4.387 4.527 -0.965 0.000 0.311 50 F C -1.530 174.087 175.800 -0.305 0.000 1.128 50 F CA -1.517 56.142 58.000 -0.568 0.000 0.946 50 F CB 1.947 40.850 39.000 -0.163 0.000 1.336 50 F HN 0.012 7.953 8.300 -0.598 0.000 0.457 51 R N -1.475 119.028 120.500 0.005 0.000 2.446 51 R HA 0.351 4.775 4.340 0.140 0.000 0.254 51 R C 0.337 176.724 176.300 0.145 0.000 0.918 51 R CA -1.144 55.008 56.100 0.086 0.000 1.069 51 R CB 0.654 30.952 30.300 -0.004 0.000 1.194 51 R HN 0.639 8.832 8.270 -0.128 0.000 0.534 52 S N -0.291 115.500 115.700 0.152 0.000 2.560 52 S HA -0.210 4.299 4.470 0.065 0.000 0.276 52 S C 1.441 176.101 174.600 0.100 0.000 1.350 52 S CA 1.221 59.468 58.200 0.080 0.000 1.024 52 S CB 0.804 63.999 63.200 -0.008 0.000 0.864 52 S HN -0.945 7.460 8.310 0.159 0.000 0.536 53 G N 2.383 111.213 108.800 0.051 0.000 2.719 53 G HA2 -0.344 3.663 3.960 0.061 0.000 0.219 53 G HA3 -0.344 3.685 3.960 0.027 -0.052 0.219 53 G C -0.316 174.624 174.900 0.066 0.000 1.234 53 G CA 1.896 47.026 45.100 0.050 0.000 0.788 53 G HN 0.383 8.619 8.290 0.034 0.074 0.619 54 T N -4.363 110.201 114.554 0.017 0.000 2.677 54 T HA 0.112 4.545 4.350 0.140 0.000 0.305 54 T C -2.002 172.638 174.700 -0.100 0.000 1.569 54 T CA -1.182 60.937 62.100 0.031 0.000 0.984 54 T CB 1.833 70.729 68.868 0.047 0.000 1.629 54 T HN -0.708 7.510 8.240 -0.036 0.000 0.494 55 T N -1.484 113.038 114.554 -0.052 0.000 2.701 55 T HA -0.006 4.199 4.350 -0.241 0.000 0.303 55 T C -0.648 173.990 174.700 -0.103 0.000 1.030 55 T CA 0.238 62.278 62.100 -0.101 0.000 1.010 55 T CB 0.541 69.434 68.868 0.042 0.000 1.007 55 T HN -0.025 8.248 8.240 0.055 0.000 0.532 56 D N -1.829 118.487 120.400 -0.141 0.000 2.059 56 D HA 0.201 4.796 4.640 -0.076 0.000 0.398 56 D C -1.148 175.081 176.300 -0.119 0.000 1.003 56 D CA 0.514 54.440 54.000 -0.124 0.000 0.916 56 D CB 1.585 42.295 40.800 -0.150 0.000 1.647 56 D HN 0.500 8.768 8.370 -0.170 0.000 0.529 57 V N -5.183 114.630 119.914 -0.168 0.000 3.040 57 V HA 0.329 4.424 4.120 -0.042 0.000 0.312 57 V C -1.413 174.720 176.094 0.066 0.000 1.115 57 V CA -2.126 60.121 62.300 -0.088 0.000 0.998 57 V CB 2.789 34.526 31.823 -0.144 0.000 1.042 57 V HN -0.550 7.476 8.190 -0.272 0.000 0.433 58 I N 2.741 123.379 120.570 0.113 0.000 2.556 58 I HA -0.029 4.230 4.170 0.149 0.000 0.284 58 I C -1.494 174.776 176.117 0.254 0.000 1.114 58 I CA 0.228 61.618 61.300 0.150 0.000 1.418 58 I CB 0.658 38.696 38.000 0.063 0.000 1.394 58 I HN 0.334 8.582 8.210 0.063 0.000 0.552 59 L N 8.588 129.896 121.223 0.141 0.000 2.313 59 L HA 0.298 4.493 4.340 -0.242 0.000 0.282 59 L C -1.701 175.089 176.870 -0.132 0.000 1.092 59 L CA -2.275 52.447 54.840 -0.196 0.000 0.831 59 L CB 0.966 42.686 42.059 -0.564 0.000 1.159 59 L HN 0.201 8.489 8.230 0.097 0.000 0.442 60 P HA 0.029 4.429 4.420 -0.033 0.000 0.264 60 P C -0.578 176.715 177.300 -0.012 0.000 1.229 60 P CA -0.262 62.836 63.100 -0.005 0.000 0.780 60 P CB 0.236 31.980 31.700 0.074 0.000 0.808 61 E N 3.093 123.182 120.200 -0.184 0.000 2.015 61 E HA -0.302 3.905 4.350 -0.237 0.000 0.191 61 E C -0.049 176.436 176.600 -0.191 0.000 0.991 61 E CA 1.994 58.167 56.400 -0.379 0.000 0.802 61 E CB 0.054 29.251 29.700 -0.839 0.000 0.759 61 E HN 0.422 8.652 8.360 -0.217 0.000 0.447 62 F N -2.327 117.707 119.950 0.139 0.000 2.538 62 F HA 0.931 5.797 4.527 0.205 -0.217 0.325 62 F C 0.109 175.966 175.800 0.095 0.000 1.066 62 F CA -2.894 55.190 58.000 0.140 0.000 0.946 62 F CB 3.069 42.122 39.000 0.088 0.000 1.199 62 F HN -0.504 7.623 8.300 -0.289 0.000 0.473 63 V N 0.575 120.634 119.914 0.242 0.000 2.525 63 V HA 0.471 4.605 4.120 0.022 0.000 0.299 63 V C -2.315 173.722 176.094 -0.095 0.000 1.034 63 V CA -3.419 58.887 62.300 0.010 0.000 0.863 63 V CB 2.374 34.112 31.823 -0.141 0.000 0.999 63 V HN 0.090 8.461 8.190 0.303 0.000 0.423 64 P HA 0.066 4.441 4.420 -0.075 0.000 0.272 64 P C -0.784 176.401 177.300 -0.191 0.000 1.240 64 P CA -0.706 62.332 63.100 -0.103 0.000 0.791 64 P CB 0.623 32.285 31.700 -0.062 0.000 0.978 65 N N -0.312 118.294 118.700 -0.157 0.000 2.381 65 N HA -0.250 4.346 4.740 -0.240 0.000 0.241 65 N C -0.322 175.096 175.510 -0.153 0.000 1.279 65 N CA 0.984 53.932 53.050 -0.171 0.000 0.896 65 N CB -0.540 37.882 38.487 -0.109 0.000 1.118 65 N HN 0.015 8.329 8.380 -0.110 0.000 0.438 66 T N -5.568 108.895 114.554 -0.152 0.000 3.708 66 T HA -0.503 3.841 4.350 -0.116 -0.064 0.375 66 T C -1.794 172.837 174.700 -0.116 0.000 0.763 66 T CA 1.337 63.367 62.100 -0.116 0.000 1.915 66 T CB -1.475 67.346 68.868 -0.077 0.000 1.783 66 T HN 0.229 8.370 8.240 -0.164 0.000 0.734 67 K N -1.242 119.062 120.400 -0.160 0.000 2.250 67 K HA 0.199 4.463 4.320 -0.095 -0.001 0.261 67 K C -2.843 173.665 176.600 -0.152 0.000 1.047 67 K CA -1.757 54.449 56.287 -0.136 0.000 0.884 67 K CB 4.096 36.520 32.500 -0.127 0.000 1.476 67 K HN -0.211 7.905 8.250 -0.224 0.000 0.445 68 A N -3.503 119.254 122.820 -0.106 0.000 2.529 68 A HA 0.641 5.004 4.320 -0.106 -0.106 0.296 68 A C -2.520 175.046 177.584 -0.030 0.000 1.205 68 A CA -1.771 50.226 52.037 -0.066 0.000 0.671 68 A CB 3.540 22.533 19.000 -0.012 0.000 1.301 68 A HN 0.130 8.232 8.150 -0.081 0.000 0.450 69 L N -5.564 115.676 121.223 0.027 0.000 2.545 69 L HA 0.528 4.876 4.340 0.048 0.020 0.258 69 L C -2.790 174.151 176.870 0.118 0.000 0.942 69 L CA -0.308 54.570 54.840 0.063 0.000 0.855 69 L CB 2.564 44.658 42.059 0.059 0.000 1.374 69 L HN -0.317 7.947 8.230 0.058 0.000 0.411 70 L N -0.535 120.764 121.223 0.126 0.000 2.335 70 L HA 0.766 5.371 4.340 0.159 -0.169 0.268 70 L C -1.749 175.283 176.870 0.270 0.000 1.016 70 L CA -1.812 53.119 54.840 0.150 0.000 0.805 70 L CB 3.570 45.672 42.059 0.071 0.000 1.311 70 L HN 0.046 8.431 8.230 0.103 -0.093 0.456 71 Y N -1.931 118.397 120.300 0.047 0.000 2.670 71 Y HA 0.109 4.673 4.550 0.022 0.000 0.334 71 Y C -2.451 173.422 175.900 -0.045 0.000 1.185 71 Y CA -0.491 57.635 58.100 0.044 0.000 1.053 71 Y CB 4.457 43.030 38.460 0.189 0.000 1.298 71 Y HN 0.081 8.465 8.280 0.173 0.000 0.459 72 S N -0.546 114.833 115.700 -0.535 0.000 2.638 72 S HA 0.273 4.584 4.470 -0.265 0.000 0.274 72 S C -1.672 172.677 174.600 -0.418 0.000 1.157 72 S CA -1.303 56.672 58.200 -0.375 0.000 0.826 72 S CB 2.791 65.823 63.200 -0.281 0.000 1.139 72 S HN 0.019 7.548 8.310 -1.301 0.000 0.474 73 G N -1.286 107.400 108.800 -0.190 0.000 3.058 73 G HA2 0.431 4.222 3.960 -0.280 0.000 0.282 73 G HA3 0.431 4.349 3.960 -0.070 0.000 0.282 73 G C -2.342 172.491 174.900 -0.112 0.000 1.248 73 G CA -0.831 44.171 45.100 -0.163 0.000 0.822 73 G HN 0.067 8.279 8.290 -0.130 0.000 0.579 74 R N -1.590 118.859 120.500 -0.085 0.000 2.799 74 R HA 0.376 4.697 4.340 -0.032 0.000 0.270 74 R C -1.054 175.242 176.300 -0.007 0.000 1.010 74 R CA -1.138 54.936 56.100 -0.043 0.000 0.916 74 R CB 3.559 33.828 30.300 -0.050 0.000 1.228 74 R HN -0.425 7.778 8.270 -0.112 0.000 0.469 75 K N 0.643 121.050 120.400 0.011 0.000 2.325 75 K HA 0.173 4.515 4.320 0.037 0.000 0.203 75 K C 0.517 177.133 176.600 0.027 0.000 1.128 75 K CA 0.638 56.943 56.287 0.030 0.000 0.931 75 K CB 1.067 33.592 32.500 0.041 0.000 1.125 75 K HN -0.026 8.435 8.250 0.006 -0.207 0.487 76 D N -2.456 117.956 120.400 0.019 0.000 4.597 76 D HA -0.380 4.268 4.640 0.014 0.000 0.241 76 D C 0.818 177.131 176.300 0.023 0.000 0.587 76 D CA 3.189 57.200 54.000 0.018 0.000 1.574 76 D CB -0.978 39.832 40.800 0.017 0.000 0.966 76 D HN 0.073 8.452 8.370 0.015 0.000 0.383 77 T N 1.760 116.331 114.554 0.029 0.000 3.262 77 T HA 0.207 4.574 4.350 0.028 0.000 0.300 77 T C 0.562 175.285 174.700 0.039 0.000 0.959 77 T CA -0.745 61.373 62.100 0.031 0.000 0.936 77 T CB -0.093 68.791 68.868 0.027 0.000 1.169 77 T HN -0.399 7.860 8.240 0.032 0.000 0.532 78 G N 4.223 113.051 108.800 0.046 0.000 2.948 78 G HA2 0.044 4.039 3.960 0.057 0.000 0.174 78 G HA3 0.044 4.043 3.960 0.064 0.000 0.174 78 G C -1.435 173.500 174.900 0.058 0.000 1.839 78 G CA 0.755 45.889 45.100 0.057 0.000 0.908 78 G HN 0.350 8.559 8.290 0.043 0.106 0.419 79 P HA 0.045 4.516 4.420 0.084 0.000 0.227 79 P C -1.254 176.086 177.300 0.067 0.000 1.161 79 P CA 0.888 64.037 63.100 0.081 0.000 0.788 79 P CB 0.388 32.147 31.700 0.098 0.000 0.822 80 V N -4.399 115.544 119.914 0.048 0.000 3.203 80 V HA 0.195 4.317 4.120 0.002 0.000 0.305 80 V C -1.646 174.463 176.094 0.025 0.000 1.361 80 V CA -1.950 60.363 62.300 0.021 0.000 1.066 80 V CB 3.284 35.116 31.823 0.015 0.000 1.085 80 V HN -0.973 7.209 8.190 0.053 0.040 0.456 81 A N -2.143 120.688 122.820 0.018 0.000 1.935 81 A HA 0.199 4.708 4.320 0.021 -0.176 0.214 81 A C -0.879 176.721 177.584 0.027 0.000 1.178 81 A CA 1.898 53.947 52.037 0.021 0.000 0.640 81 A CB 0.611 19.620 19.000 0.016 0.000 0.825 81 A HN 0.217 8.371 8.150 0.007 0.000 0.447 82 T N -7.724 106.852 114.554 0.038 0.000 2.952 82 T HA 0.204 4.771 4.350 0.030 -0.199 0.305 82 T C -0.533 174.204 174.700 0.063 0.000 1.064 82 T CA -1.860 60.266 62.100 0.044 0.000 1.008 82 T CB 2.403 71.301 68.868 0.050 0.000 1.078 82 T HN -0.817 7.446 8.240 0.039 0.000 0.459 83 G N 2.591 111.421 108.800 0.051 0.000 2.250 83 G HA2 -0.197 3.790 3.960 0.045 0.000 0.196 83 G HA3 -0.197 3.825 3.960 0.105 0.000 0.196 83 G C -3.608 171.338 174.900 0.075 0.000 1.308 83 G CA 0.159 45.301 45.100 0.070 0.000 1.207 83 G HN -0.074 8.505 8.290 0.030 -0.272 0.505 84 A N -1.155 121.748 122.820 0.138 0.000 2.586 84 A HA 0.283 4.667 4.320 0.106 0.000 0.298 84 A C -2.655 175.118 177.584 0.315 0.000 1.013 84 A CA 0.206 52.351 52.037 0.181 0.000 0.707 84 A CB 2.501 21.599 19.000 0.162 0.000 1.276 84 A HN 0.024 8.278 8.150 0.172 0.000 0.414 85 V N -0.106 119.879 119.914 0.119 0.000 2.655 85 V HA 0.165 3.903 4.120 -0.636 0.000 0.301 85 V C -2.569 173.195 176.094 -0.550 0.000 1.082 85 V CA -0.739 61.379 62.300 -0.303 0.000 0.899 85 V CB 3.008 34.765 31.823 -0.111 0.000 1.014 85 V HN 0.546 8.778 8.190 0.070 0.000 0.429 86 A N 5.917 127.914 122.820 -1.372 0.000 2.594 86 A HA 0.666 4.859 4.320 -0.355 -0.086 0.291 86 A C -2.863 174.324 177.584 -0.662 0.000 1.105 86 A CA -1.299 50.384 52.037 -0.590 0.000 0.694 86 A CB 4.499 23.652 19.000 0.255 0.000 1.291 86 A HN -0.024 6.106 8.150 -3.367 0.000 0.410 87 A N -2.076 120.600 122.820 -0.240 0.000 2.476 87 A HA 0.514 4.658 4.320 -0.293 0.000 0.280 87 A C -2.859 174.769 177.584 0.073 0.000 1.081 87 A CA -0.419 51.538 52.037 -0.134 0.000 0.753 87 A CB 1.700 20.747 19.000 0.078 0.000 1.248 87 A HN 0.491 8.562 8.150 -0.132 0.000 0.424 88 F N -0.210 119.866 119.950 0.209 0.000 2.577 88 F HA 0.489 5.088 4.527 0.119 0.000 0.318 88 F C -2.475 173.402 175.800 0.128 0.000 1.065 88 F CA -2.494 55.584 58.000 0.130 0.000 0.929 88 F CB 3.059 42.084 39.000 0.042 0.000 1.237 88 F HN -0.135 7.739 8.300 -0.711 0.000 0.468 89 A N -1.191 121.804 122.820 0.292 0.000 2.355 89 A HA 0.814 5.472 4.320 0.267 -0.178 0.324 89 A C -2.428 175.186 177.584 0.050 0.000 1.117 89 A CA -2.002 50.169 52.037 0.223 0.000 0.785 89 A CB 3.186 22.348 19.000 0.270 0.000 1.254 89 A HN 0.336 8.625 8.150 0.232 0.000 0.453 90 Y N -0.583 119.767 120.300 0.083 0.000 2.331 90 Y HA 0.133 4.786 4.550 0.173 0.000 0.334 90 Y C -1.457 174.457 175.900 0.024 0.000 0.960 90 Y CA -1.347 56.794 58.100 0.068 0.000 1.130 90 Y CB 3.143 41.589 38.460 -0.022 0.000 1.164 90 Y HN 0.445 8.854 8.280 0.215 0.000 0.458 91 Y N 5.500 125.892 120.300 0.154 0.000 2.697 91 Y HA -0.050 4.662 4.550 0.059 -0.126 0.349 91 Y C -0.773 175.216 175.900 0.149 0.000 1.120 91 Y CA 1.119 59.289 58.100 0.117 0.000 1.468 91 Y CB 0.091 38.630 38.460 0.131 0.000 1.182 91 Y HN 0.670 9.112 8.280 0.428 0.095 0.525 92 M N 7.183 126.667 119.600 -0.194 0.000 2.241 92 M HA -0.012 4.600 4.480 0.220 0.000 0.335 92 M C 0.547 176.830 176.300 -0.028 0.000 1.122 92 M CA 0.565 55.835 55.300 -0.050 0.000 1.164 92 M CB 1.517 34.017 32.600 -0.167 0.000 1.459 92 M HN 0.682 8.633 8.290 -0.388 0.107 0.461 93 S N 3.332 119.123 115.700 0.152 0.000 2.442 93 S HA -0.175 4.372 4.470 0.127 0.000 0.236 93 S C 0.916 175.533 174.600 0.029 0.000 1.007 93 S CA 2.447 60.710 58.200 0.104 0.000 0.965 93 S CB -0.007 63.265 63.200 0.120 0.000 0.773 93 S HN 0.571 9.068 8.310 0.312 0.000 0.504 94 S N -0.359 115.336 115.700 -0.008 0.000 2.607 94 S HA -0.034 4.439 4.470 0.005 0.000 0.224 94 S C 0.212 174.764 174.600 -0.079 0.000 0.969 94 S CA 0.049 58.236 58.200 -0.023 0.000 0.927 94 S CB 0.086 63.284 63.200 -0.004 0.000 0.772 94 S HN -0.609 7.664 8.310 0.006 0.040 0.533 95 G N 0.991 109.671 108.800 -0.201 0.000 2.143 95 G HA2 -0.445 3.193 3.960 -0.536 0.000 0.248 95 G HA3 -0.445 3.454 3.960 -0.102 0.000 0.248 95 G C -1.610 173.071 174.900 -0.365 0.000 0.991 95 G CA 0.325 45.243 45.100 -0.304 0.000 0.689 95 G HN -0.118 7.945 8.290 -0.235 0.086 0.522 96 N N -0.767 117.706 118.700 -0.377 0.000 2.502 96 N HA 0.195 4.801 4.740 -0.223 0.000 0.280 96 N C -1.509 173.775 175.510 -0.377 0.000 1.223 96 N CA -1.021 51.847 53.050 -0.304 0.000 0.966 96 N CB 2.234 40.579 38.487 -0.236 0.000 1.203 96 N HN -0.821 7.299 8.380 -0.372 0.037 0.565 97 T N 2.112 116.512 114.554 -0.257 0.000 2.963 97 T HA 0.304 4.756 4.350 -0.151 -0.193 0.328 97 T C -1.750 172.786 174.700 -0.274 0.000 1.048 97 T CA -0.128 61.883 62.100 -0.148 0.000 1.033 97 T CB 0.980 69.908 68.868 0.100 0.000 1.010 97 T HN 0.328 8.313 8.240 -0.252 0.104 0.469 98 L N 8.464 129.492 121.223 -0.325 0.000 2.462 98 L HA -0.065 3.983 4.340 -0.488 0.000 0.272 98 L C -1.774 174.954 176.870 -0.237 0.000 1.166 98 L CA -0.155 54.455 54.840 -0.384 0.000 0.880 98 L CB 1.403 43.188 42.059 -0.458 0.000 1.142 98 L HN 0.160 8.201 8.230 -0.315 0.000 0.473 99 G N 7.051 115.623 108.800 -0.381 0.000 2.428 99 G HA2 0.322 4.377 3.960 0.159 0.000 0.320 99 G HA3 0.322 4.260 3.960 -0.036 0.000 0.320 99 G C -1.940 172.961 174.900 0.001 0.000 1.098 99 G CA -1.066 43.999 45.100 -0.059 0.000 0.984 99 G HN 0.626 8.514 8.290 -0.669 0.000 0.444 100 V N 6.302 126.251 119.914 0.059 0.000 3.264 100 V HA 0.059 4.215 4.120 0.059 0.000 0.304 100 V C -1.350 174.759 176.094 0.025 0.000 1.086 100 V CA -0.107 62.214 62.300 0.035 0.000 1.090 100 V CB 2.355 34.189 31.823 0.018 0.000 1.112 100 V HN 0.084 8.345 8.190 0.118 0.000 0.472 101 M N 2.927 122.566 119.600 0.065 0.000 2.413 101 M HA 0.224 4.713 4.480 0.016 0.000 0.287 101 M C -2.347 174.021 176.300 0.114 0.000 1.186 101 M CA -0.750 54.583 55.300 0.055 0.000 0.927 101 M CB 2.888 35.526 32.600 0.064 0.000 1.715 101 M HN -0.106 8.246 8.290 0.104 0.000 0.478 102 F N 0.174 120.028 119.950 -0.159 0.000 2.686 102 F HA 0.582 4.977 4.527 -0.221 0.000 0.311 102 F C -2.650 173.050 175.800 -0.167 0.000 1.128 102 F CA -0.435 57.462 58.000 -0.172 0.000 0.946 102 F CB 2.052 41.009 39.000 -0.072 0.000 1.336 102 F HN -0.330 7.871 8.300 -0.166 0.000 0.457 103 S N -1.913 113.848 115.700 0.102 0.000 2.611 103 S HA 0.145 4.716 4.470 0.168 0.000 0.268 103 S C -2.237 172.485 174.600 0.203 0.000 1.156 103 S CA -0.951 57.323 58.200 0.124 0.000 0.817 103 S CB 3.975 67.211 63.200 0.061 0.000 1.122 103 S HN -0.154 8.247 8.310 0.152 0.000 0.466 104 V N 2.233 122.298 119.914 0.252 0.000 2.313 104 V HA 0.345 4.579 4.120 0.191 0.000 0.278 104 V C -0.942 175.335 176.094 0.305 0.000 1.017 104 V CA -3.117 59.325 62.300 0.237 0.000 0.823 104 V CB 0.754 32.701 31.823 0.207 0.000 1.010 104 V HN 0.095 8.456 8.190 0.286 0.000 0.443 105 P HA -0.023 4.667 4.420 0.450 0.000 0.237 105 P C 0.473 177.964 177.300 0.318 0.000 1.178 105 P CA 0.981 64.291 63.100 0.350 0.000 0.766 105 P CB 0.326 32.194 31.700 0.279 0.000 0.876 106 F N -3.196 116.825 119.950 0.118 0.000 2.754 106 F HA -0.293 4.269 4.527 0.058 0.000 0.298 106 F C -1.291 174.527 175.800 0.030 0.000 1.234 106 F CA 0.613 58.651 58.000 0.062 0.000 1.460 106 F CB -0.792 38.230 39.000 0.036 0.000 1.120 106 F HN 0.182 8.680 8.300 0.449 0.071 0.592 107 D N -4.500 115.932 120.400 0.053 0.000 2.516 107 D HA 0.029 4.597 4.640 -0.120 0.000 0.241 107 D C -0.407 175.743 176.300 -0.250 0.000 1.246 107 D CA -0.073 53.853 54.000 -0.122 0.000 0.808 107 D CB -0.094 40.614 40.800 -0.153 0.000 1.147 107 D HN -0.744 7.581 8.370 0.157 0.139 0.527 108 Y N -0.213 120.169 120.300 0.136 0.000 2.470 108 Y HA 0.232 4.900 4.550 0.196 0.000 0.352 108 Y C -0.130 175.852 175.900 0.136 0.000 0.967 108 Y CA -1.806 56.409 58.100 0.192 0.000 1.121 108 Y CB -0.356 38.282 38.460 0.296 0.000 1.149 108 Y HN -0.382 8.018 8.280 0.200 0.000 0.641 109 N N 1.095 119.866 118.700 0.119 0.000 2.430 109 N HA -0.267 4.476 4.740 0.005 0.000 0.186 109 N C 0.686 176.181 175.510 -0.026 0.000 1.032 109 N CA 1.792 54.837 53.050 -0.009 0.000 0.893 109 N CB -0.059 38.344 38.487 -0.140 0.000 0.957 109 N HN 0.459 8.865 8.380 0.044 0.000 0.442 110 W N -2.577 118.645 121.300 -0.129 0.000 2.325 110 W HA -0.318 4.114 4.660 -0.380 0.000 0.299 110 W C 0.263 176.331 176.519 -0.752 0.000 1.215 110 W CA 1.270 58.338 57.345 -0.461 0.000 1.244 110 W CB 0.321 29.450 29.460 -0.551 0.000 1.140 110 W HN -0.380 7.886 8.180 0.226 0.050 0.523 111 Y N -6.440 114.065 120.300 0.342 0.000 2.705 111 Y HA 0.165 4.835 4.550 0.201 0.000 0.332 111 Y C -1.105 174.906 175.900 0.184 0.000 1.157 111 Y CA -1.438 56.793 58.100 0.218 0.000 1.091 111 Y CB 2.113 40.661 38.460 0.147 0.000 1.301 111 Y HN -0.588 7.812 8.280 0.250 0.029 0.488 112 S N -1.063 114.837 115.700 0.333 0.000 2.632 112 S HA -0.037 4.555 4.470 0.204 0.000 0.267 112 S C -0.404 174.368 174.600 0.287 0.000 1.193 112 S CA -0.704 57.644 58.200 0.246 0.000 1.003 112 S CB 1.047 64.361 63.200 0.190 0.000 1.073 112 S HN 0.069 8.599 8.310 0.366 0.000 0.553 113 N N 2.112 120.957 118.700 0.242 0.000 2.401 113 N HA 0.179 5.094 4.740 0.292 0.000 0.255 113 N C -0.523 175.175 175.510 0.314 0.000 1.110 113 N CA -0.931 52.266 53.050 0.246 0.000 0.949 113 N CB -0.880 37.694 38.487 0.145 0.000 1.110 113 N HN 0.215 8.709 8.380 0.191 0.000 0.490 114 W N 3.160 124.588 121.300 0.214 0.000 2.170 114 W HA 0.120 5.022 4.660 0.189 -0.128 0.336 114 W C -1.852 174.863 176.519 0.326 0.000 1.283 114 W CA -0.455 57.010 57.345 0.201 0.000 1.224 114 W CB 0.308 29.828 29.460 0.100 0.000 1.132 114 W HN 0.150 8.674 8.180 0.573 0.000 0.571 115 W N -0.919 120.520 121.300 0.232 0.000 3.042 115 W HA 0.615 5.110 4.660 -0.275 0.000 0.342 115 W C -2.524 174.112 176.519 0.195 0.000 1.240 115 W CA -1.743 55.631 57.345 0.047 0.000 1.166 115 W CB 2.650 32.138 29.460 0.047 0.000 1.469 115 W HN 0.237 8.614 8.180 0.493 0.099 0.579 116 D N -1.536 118.644 120.400 -0.368 0.000 2.926 116 D HA 0.137 4.048 4.640 -1.214 0.000 0.272 116 D C -2.959 173.222 176.300 -0.198 0.000 1.172 116 D CA 0.314 53.911 54.000 -0.672 0.000 0.731 116 D CB 3.100 43.574 40.800 -0.544 0.000 1.282 116 D HN -0.351 8.066 8.370 0.079 0.000 0.430 117 V N -1.501 118.337 119.914 -0.126 0.000 2.966 117 V HA 0.216 4.358 4.120 0.036 0.000 0.288 117 V C -3.233 172.889 176.094 0.047 0.000 1.380 117 V CA -1.414 60.917 62.300 0.052 0.000 0.966 117 V CB 2.130 34.078 31.823 0.208 0.000 1.115 117 V HN 0.317 8.364 8.190 -0.238 0.000 0.436 118 K N 5.175 125.535 120.400 -0.066 0.000 2.556 118 K HA 0.363 4.702 4.320 0.032 0.000 0.274 118 K C -2.710 173.566 176.600 -0.540 0.000 0.966 118 K CA -1.052 55.153 56.287 -0.137 0.000 0.865 118 K CB 4.281 36.779 32.500 -0.002 0.000 1.444 118 K HN -0.393 7.781 8.250 -0.128 0.000 0.433 119 I N 2.885 123.096 120.570 -0.600 0.000 2.330 119 I HA 0.299 4.106 4.170 -0.854 -0.149 0.286 119 I C -0.477 175.024 176.117 -1.027 0.000 1.025 119 I CA -1.015 59.745 61.300 -0.900 0.000 1.197 119 I CB 0.578 38.101 38.000 -0.795 0.000 1.358 119 I HN 0.360 8.370 8.210 -0.333 0.000 0.467 120 Y N 7.164 127.259 120.300 -0.341 0.000 2.680 120 Y HA -0.051 4.389 4.550 -0.184 0.000 0.356 120 Y C -0.241 175.522 175.900 -0.229 0.000 1.122 120 Y CA -1.786 56.184 58.100 -0.217 0.000 1.509 120 Y CB -2.080 36.331 38.460 -0.082 0.000 1.245 120 Y HN 0.660 8.231 8.280 -1.182 0.000 0.513 121 S N 3.490 119.102 115.700 -0.147 0.000 2.552 121 S HA -0.459 3.929 4.470 -0.136 0.000 0.289 121 S C 0.657 175.277 174.600 0.032 0.000 1.304 121 S CA 1.295 59.460 58.200 -0.058 0.000 1.063 121 S CB 0.243 63.486 63.200 0.072 0.000 0.848 121 S HN 0.001 8.207 8.310 -0.172 0.000 0.499 122 G N 7.136 115.950 108.800 0.024 0.000 2.936 122 G HA2 -0.307 3.705 3.960 0.087 0.000 0.237 122 G HA3 -0.307 3.708 3.960 0.091 0.000 0.237 122 G C -2.457 172.543 174.900 0.165 0.000 1.403 122 G CA -0.087 45.064 45.100 0.085 0.000 1.011 122 G HN -0.006 8.266 8.290 -0.031 0.000 0.568 123 K N 3.268 123.782 120.400 0.190 0.000 2.565 123 K HA 0.354 4.884 4.320 0.349 0.000 0.251 123 K C -1.586 175.103 176.600 0.148 0.000 0.956 123 K CA -0.683 55.757 56.287 0.255 0.000 0.809 123 K CB 2.189 34.842 32.500 0.256 0.000 1.267 123 K HN 0.147 8.477 8.250 0.134 0.000 0.438 124 R N 5.959 126.554 120.500 0.159 0.000 2.500 124 R HA 0.148 4.502 4.340 0.023 0.000 0.299 124 R C -0.998 175.352 176.300 0.083 0.000 1.038 124 R CA -0.194 55.950 56.100 0.072 0.000 0.903 124 R CB 2.018 32.309 30.300 -0.015 0.000 1.177 124 R HN 0.005 8.412 8.270 0.228 0.000 0.455 125 R N 4.965 125.485 120.500 0.033 0.000 2.707 125 R HA -0.019 4.352 4.340 0.051 0.000 0.270 125 R C -0.732 175.592 176.300 0.041 0.000 1.083 125 R CA -0.601 55.517 56.100 0.031 0.000 1.182 125 R CB 0.610 30.908 30.300 -0.003 0.000 1.084 125 R HN -0.048 8.226 8.270 0.007 0.000 0.528 126 A N 0.919 123.783 122.820 0.073 0.000 2.376 126 A HA -0.111 4.306 4.320 0.163 0.000 0.298 126 A C -1.501 176.143 177.584 0.100 0.000 1.271 126 A CA -0.165 51.957 52.037 0.142 0.000 0.926 126 A CB -0.351 18.774 19.000 0.209 0.000 1.141 126 A HN 0.194 8.378 8.150 0.055 0.000 0.539 127 D N 1.651 122.069 120.400 0.030 0.000 2.825 127 D HA 0.065 4.502 4.640 -0.338 0.000 0.327 127 D C -0.357 175.733 176.300 -0.350 0.000 1.277 127 D CA -0.999 52.867 54.000 -0.222 0.000 0.950 127 D CB 2.508 43.194 40.800 -0.190 0.000 1.438 127 D HN -0.575 7.832 8.370 0.063 0.000 0.526 128 Q N 0.119 119.593 119.800 -0.543 0.000 2.112 128 Q HA -0.288 3.820 4.340 -0.386 0.000 0.206 128 Q C 1.787 177.712 176.000 -0.124 0.000 0.987 128 Q CA 4.130 59.719 55.803 -0.357 0.000 0.858 128 Q CB -0.163 28.382 28.738 -0.320 0.000 0.905 128 Q HN 0.396 8.328 8.270 -0.564 0.000 0.420 129 G N -2.827 105.880 108.800 -0.155 0.000 2.475 129 G HA2 -0.316 3.552 3.960 -0.153 0.000 0.220 129 G HA3 -0.316 3.543 3.960 -0.168 0.000 0.220 129 G C 1.030 175.839 174.900 -0.153 0.000 1.125 129 G CA 1.690 46.699 45.100 -0.151 0.000 0.755 129 G HN 0.433 8.610 8.290 -0.189 0.000 0.565 130 M N 2.933 122.472 119.600 -0.101 0.000 2.073 130 M HA -0.353 3.916 4.480 -0.352 0.000 0.259 130 M C 1.190 177.564 176.300 0.123 0.000 1.079 130 M CA 3.402 58.659 55.300 -0.072 0.000 1.131 130 M CB 0.180 32.821 32.600 0.068 0.000 1.316 130 M HN -0.574 7.539 8.290 -0.061 0.141 0.415 131 Y N -0.190 120.178 120.300 0.114 0.000 2.256 131 Y HA -0.506 4.137 4.550 0.156 0.000 0.288 131 Y C 1.597 177.560 175.900 0.106 0.000 1.155 131 Y CA 3.578 61.761 58.100 0.139 0.000 1.203 131 Y CB -0.011 38.597 38.460 0.247 0.000 0.980 131 Y HN -0.663 7.855 8.280 0.396 0.000 0.530 132 E N -1.082 119.204 120.200 0.144 0.000 2.110 132 E HA -0.458 4.051 4.350 0.266 0.000 0.193 132 E C 2.188 178.837 176.600 0.082 0.000 0.988 132 E CA 3.386 59.834 56.400 0.081 0.000 0.804 132 E CB -0.442 29.180 29.700 -0.129 0.000 0.745 132 E HN 0.438 8.863 8.360 0.152 0.026 0.458 133 D N -0.839 119.571 120.400 0.016 0.000 2.219 133 D HA -0.185 4.528 4.640 0.032 -0.054 0.205 133 D C 2.226 178.537 176.300 0.019 0.000 0.970 133 D CA 3.462 57.481 54.000 0.032 0.000 0.851 133 D CB -0.106 40.722 40.800 0.046 0.000 0.943 133 D HN -0.367 7.895 8.370 -0.011 0.101 0.488 134 L N -2.686 118.539 121.223 0.003 0.000 2.095 134 L HA -0.142 4.352 4.340 -0.061 -0.190 0.204 134 L C 2.100 178.899 176.870 -0.118 0.000 1.080 134 L CA 2.450 57.273 54.840 -0.028 0.000 0.759 134 L CB 0.048 42.175 42.059 0.112 0.000 0.914 134 L HN -1.000 7.086 8.230 0.013 0.151 0.439 135 Y N -3.860 116.156 120.300 -0.474 0.000 2.476 135 Y HA -0.248 3.855 4.550 -0.745 0.000 0.283 135 Y C 1.495 177.087 175.900 -0.513 0.000 1.109 135 Y CA 2.128 59.845 58.100 -0.639 0.000 1.246 135 Y CB 1.098 39.066 38.460 -0.820 0.000 1.068 135 Y HN -0.140 8.040 8.280 -0.167 0.000 0.552 136 Y N -4.479 115.731 120.300 -0.151 0.000 2.701 136 Y HA 0.046 4.503 4.550 -0.154 0.000 0.275 136 Y C 1.467 177.302 175.900 -0.108 0.000 1.133 136 Y CA 0.612 58.635 58.100 -0.128 0.000 1.241 136 Y CB 1.384 39.794 38.460 -0.083 0.000 1.389 136 Y HN -0.157 8.178 8.280 0.273 0.109 0.486 137 G N 0.042 108.891 108.800 0.083 0.000 2.553 137 G HA2 -0.307 3.678 3.960 0.041 0.000 0.218 137 G HA3 -0.307 3.867 3.960 0.027 -0.198 0.218 137 G C 0.574 175.466 174.900 -0.014 0.000 1.195 137 G CA 1.365 46.482 45.100 0.029 0.000 0.779 137 G HN 0.129 8.383 8.290 0.121 0.109 0.577 138 N N -1.734 116.906 118.700 -0.101 0.000 3.570 138 N HA 0.211 4.890 4.740 -0.101 0.000 0.193 138 N C -3.046 172.204 175.510 -0.433 0.000 1.465 138 N CA -0.618 52.338 53.050 -0.157 0.000 0.791 138 N CB 1.625 40.109 38.487 -0.005 0.000 1.677 138 N HN -0.437 7.867 8.380 -0.127 0.000 0.678 139 P HA 0.153 4.411 4.420 -0.435 -0.099 0.275 139 P C -1.497 175.637 177.300 -0.277 0.000 1.227 139 P CA 0.137 63.008 63.100 -0.383 0.000 0.781 139 P CB 0.906 32.391 31.700 -0.359 0.000 0.906 140 Y N 2.586 122.756 120.300 -0.216 0.000 2.631 140 Y HA 0.303 4.778 4.550 -0.125 0.000 0.328 140 Y C -0.540 175.386 175.900 0.043 0.000 1.118 140 Y CA -2.506 55.440 58.100 -0.257 0.000 1.206 140 Y CB 3.614 41.611 38.460 -0.771 0.000 1.337 140 Y HN 0.619 8.612 8.280 -0.478 0.000 0.515 141 R N -1.951 118.843 120.500 0.490 0.000 2.575 141 R HA 0.457 5.109 4.340 0.520 0.000 0.293 141 R C -0.463 176.158 176.300 0.536 0.000 0.983 141 R CA -0.922 55.478 56.100 0.499 0.000 0.887 141 R CB 2.849 33.303 30.300 0.258 0.000 1.184 141 R HN 0.345 8.904 8.270 0.482 0.000 0.445 142 G N 2.819 111.818 108.800 0.331 0.000 2.782 142 G HA2 0.130 4.026 3.960 -0.107 0.000 0.289 142 G HA3 0.130 3.912 3.960 -0.296 0.000 0.289 142 G C -1.988 172.903 174.900 -0.017 0.000 1.463 142 G CA 0.274 45.349 45.100 -0.042 0.000 1.019 142 G HN -0.037 8.470 8.290 0.362 0.000 0.536 143 D N 6.407 126.796 120.400 -0.018 0.000 2.517 143 D HA 0.027 4.669 4.640 0.003 0.000 0.301 143 D C -0.990 175.287 176.300 -0.038 0.000 1.202 143 D CA -1.477 52.520 54.000 -0.004 0.000 0.910 143 D CB -0.475 40.346 40.800 0.034 0.000 1.021 143 D HN 0.155 8.515 8.370 -0.017 0.000 0.499 144 N N 0.277 118.928 118.700 -0.081 0.000 2.402 144 N HA -0.453 4.442 4.740 -0.149 -0.245 0.292 144 N C -0.530 174.923 175.510 -0.095 0.000 1.488 144 N CA 1.184 54.172 53.050 -0.104 0.000 0.667 144 N CB -0.755 37.688 38.487 -0.074 0.000 0.954 144 N HN -0.028 8.295 8.380 -0.096 0.000 0.478 145 G N 1.019 109.732 108.800 -0.145 0.000 2.345 145 G HA2 -0.151 3.761 3.960 -0.080 0.000 0.310 145 G HA3 -0.151 3.800 3.960 -0.016 0.000 0.310 145 G C -2.400 172.445 174.900 -0.090 0.000 1.476 145 G CA -0.464 44.584 45.100 -0.086 0.000 0.978 145 G HN -0.393 7.766 8.290 -0.218 0.000 0.656 146 W N 0.588 121.876 121.300 -0.020 0.000 2.184 146 W HA 0.102 4.859 4.660 -0.050 -0.127 0.338 146 W C -0.232 176.306 176.519 0.033 0.000 1.257 146 W CA -0.066 57.268 57.345 -0.017 0.000 1.243 146 W CB 1.561 31.020 29.460 -0.002 0.000 1.122 146 W HN 0.118 8.430 8.180 0.221 0.000 0.585 147 H N 2.359 121.605 119.070 0.293 0.000 3.026 147 H HA 0.207 4.839 4.556 0.127 0.000 0.352 147 H C -2.776 172.649 175.328 0.161 0.000 1.090 147 H CA -0.461 55.677 56.048 0.150 0.000 1.268 147 H CB 3.011 32.815 29.762 0.070 0.000 1.816 147 H HN 0.528 9.155 8.280 0.577 0.000 0.518 148 E N 6.566 126.471 120.200 -0.493 0.000 2.288 148 E HA 0.779 5.128 4.350 -0.286 -0.170 0.268 148 E C -1.606 174.737 176.600 -0.429 0.000 0.885 148 E CA -1.530 54.638 56.400 -0.386 0.000 0.767 148 E CB 3.503 33.087 29.700 -0.194 0.000 1.220 148 E HN 0.269 8.429 8.360 -0.334 0.000 0.427 149 K N 2.435 122.699 120.400 -0.226 0.000 2.556 149 K HA 0.312 4.582 4.320 -0.083 0.000 0.274 149 K C -1.725 174.860 176.600 -0.025 0.000 0.966 149 K CA -1.506 54.725 56.287 -0.093 0.000 0.865 149 K CB 3.285 35.769 32.500 -0.027 0.000 1.444 149 K HN 0.430 8.595 8.250 -0.143 0.000 0.433 150 N N 2.270 120.960 118.700 -0.017 0.000 2.508 150 N HA -0.054 4.681 4.740 -0.008 0.000 0.253 150 N C -0.521 174.982 175.510 -0.012 0.000 1.145 150 N CA 0.417 53.458 53.050 -0.015 0.000 0.973 150 N CB -0.595 37.876 38.487 -0.028 0.000 1.305 150 N HN 0.423 8.792 8.380 -0.019 0.000 0.506 151 L N 1.999 123.239 121.223 0.029 0.000 2.081 151 L HA -0.266 4.137 4.340 0.103 0.000 0.212 151 L C 0.405 177.177 176.870 -0.162 0.000 1.080 151 L CA 1.509 56.394 54.840 0.076 0.000 0.754 151 L CB 0.597 42.798 42.059 0.237 0.000 0.893 151 L HN -0.123 8.137 8.230 0.051 0.000 0.433 152 G N -5.810 102.785 108.800 -0.342 0.000 2.186 152 G HA2 -0.266 3.487 3.960 -0.344 0.000 0.130 152 G HA3 -0.266 3.287 3.960 -0.678 0.000 0.130 152 G C -0.065 174.222 174.900 -1.021 0.000 1.031 152 G CA 0.006 44.727 45.100 -0.632 0.000 0.697 152 G HN -0.085 8.096 8.290 -0.150 0.019 0.494 153 Y N -1.854 118.447 120.300 0.001 0.000 2.435 153 Y HA 0.330 4.881 4.550 0.001 0.000 0.270 153 Y C 1.065 176.963 175.900 -0.003 0.000 1.093 153 Y CA 0.285 58.383 58.100 -0.004 0.000 1.226 153 Y CB 1.187 39.636 38.460 -0.017 0.000 1.289 153 Y HN -0.043 8.126 8.280 -0.185 0.000 0.529 154 G N -1.810 107.041 108.800 0.085 0.000 3.259 154 G HA2 -0.121 3.856 3.960 0.029 0.000 0.217 154 G HA3 -0.121 3.881 3.960 0.070 0.000 0.217 154 G C -1.629 173.304 174.900 0.055 0.000 0.993 154 G CA 0.084 45.219 45.100 0.059 0.000 0.836 154 G HN -0.269 8.053 8.290 0.053 0.000 0.514 155 L N -3.994 117.277 121.223 0.080 0.000 2.256 155 L HA 0.780 5.146 4.340 0.044 0.000 0.261 155 L C -2.127 174.781 176.870 0.064 0.000 1.022 155 L CA -1.820 53.060 54.840 0.066 0.000 0.828 155 L CB 1.927 44.032 42.059 0.076 0.000 1.374 155 L HN -0.923 7.381 8.230 0.124 0.000 0.436 156 R N -3.416 117.110 120.500 0.044 0.000 2.832 156 R HA 0.472 4.839 4.340 0.044 0.000 0.271 156 R C -1.453 174.873 176.300 0.044 0.000 0.996 156 R CA -1.538 54.581 56.100 0.033 0.000 0.977 156 R CB 3.051 33.349 30.300 -0.003 0.000 1.168 156 R HN -0.283 8.010 8.270 0.039 0.000 0.482 157 M N -2.220 117.411 119.600 0.050 0.000 2.619 157 M HA 0.872 5.525 4.480 0.063 -0.135 0.297 157 M C -2.332 173.999 176.300 0.052 0.000 1.229 157 M CA -1.207 54.139 55.300 0.076 0.000 0.860 157 M CB 4.937 37.617 32.600 0.134 0.000 1.741 157 M HN -0.031 8.283 8.290 0.041 0.000 0.462 158 K N 1.551 121.993 120.400 0.069 0.000 2.426 158 K HA 0.802 5.322 4.320 0.033 -0.180 0.254 158 K C -1.260 175.549 176.600 0.348 0.000 0.936 158 K CA -1.462 54.865 56.287 0.068 0.000 0.801 158 K CB 4.010 36.371 32.500 -0.233 0.000 1.139 158 K HN 0.774 9.079 8.250 0.091 0.000 0.424 159 G N 4.987 114.029 108.800 0.403 0.000 2.415 159 G HA2 0.818 5.140 3.960 0.347 0.000 0.327 159 G HA3 0.818 4.773 3.960 -0.009 0.000 0.327 159 G C -2.966 171.965 174.900 0.050 0.000 1.182 159 G CA -1.563 43.685 45.100 0.247 0.000 0.924 159 G HN 0.772 9.244 8.290 0.303 0.000 0.470 160 I N 3.786 124.181 120.570 -0.291 0.000 2.603 160 I HA 0.710 4.703 4.170 -0.583 -0.173 0.300 160 I C -2.441 173.377 176.117 -0.499 0.000 1.017 160 I CA -2.754 58.123 61.300 -0.704 0.000 1.098 160 I CB 3.986 41.069 38.000 -1.528 0.000 1.279 160 I HN 0.570 8.688 8.210 -0.154 0.000 0.437 161 M N 6.153 125.485 119.600 -0.446 0.000 2.518 161 M HA 0.440 4.763 4.480 -0.262 0.000 0.300 161 M C -2.174 173.970 176.300 -0.261 0.000 1.175 161 M CA -2.198 52.913 55.300 -0.314 0.000 0.890 161 M CB 3.955 36.373 32.600 -0.304 0.000 1.710 161 M HN -0.148 7.871 8.290 -0.451 0.000 0.453 162 T N 0.186 114.615 114.554 -0.208 0.000 2.991 162 T HA 0.521 4.945 4.350 -0.189 -0.187 0.303 162 T C -0.540 174.089 174.700 -0.119 0.000 1.015 162 T CA -1.326 60.651 62.100 -0.204 0.000 1.007 162 T CB 2.737 71.407 68.868 -0.329 0.000 1.034 162 T HN 0.130 8.267 8.240 -0.171 0.000 0.446 163 S N 7.049 122.706 115.700 -0.070 0.000 2.686 163 S HA 0.113 4.613 4.470 0.049 0.000 0.270 163 S C -0.065 174.544 174.600 0.015 0.000 1.194 163 S CA 0.072 58.276 58.200 0.007 0.000 0.990 163 S CB 0.994 64.207 63.200 0.022 0.000 1.029 163 S HN 0.438 9.106 8.310 -0.084 -0.409 0.560 164 A N -0.243 122.648 122.820 0.119 0.000 6.624 164 A HA -0.127 4.367 4.320 0.290 0.000 0.226 164 A C -0.450 177.217 177.584 0.139 0.000 2.318 164 A CA 0.218 52.359 52.037 0.174 0.000 0.686 164 A CB -0.349 18.683 19.000 0.054 0.000 0.893 164 A HN 0.072 8.323 8.150 0.168 0.000 0.362 165 G N -3.699 105.133 108.800 0.055 0.000 2.636 165 G HA2 -0.083 3.472 3.960 -0.675 0.000 0.246 165 G HA3 -0.083 3.764 3.960 -0.189 0.000 0.246 165 G C -0.656 174.116 174.900 -0.213 0.000 1.216 165 G CA -0.382 44.563 45.100 -0.257 0.000 0.854 165 G HN -0.171 8.196 8.290 0.128 0.000 0.572 166 E N -3.596 116.449 120.200 -0.257 0.000 2.722 166 E HA -0.423 3.820 4.350 -0.178 0.000 0.265 166 E C -1.675 174.803 176.600 -0.204 0.000 1.081 166 E CA 1.147 57.434 56.400 -0.188 0.000 0.781 166 E CB -1.229 28.390 29.700 -0.135 0.000 1.372 166 E HN 0.185 8.337 8.360 -0.345 0.000 0.423 167 A N -3.055 119.634 122.820 -0.219 0.000 2.386 167 A HA 0.167 4.282 4.320 -0.342 0.000 0.311 167 A C -1.662 175.818 177.584 -0.174 0.000 1.068 167 A CA -0.652 51.241 52.037 -0.240 0.000 0.743 167 A CB 2.129 21.009 19.000 -0.199 0.000 1.258 167 A HN -0.391 7.584 8.150 -0.236 0.034 0.429 168 K N 1.376 121.674 120.400 -0.171 0.000 2.578 168 K HA 0.150 4.427 4.320 -0.073 0.000 0.269 168 K C -1.534 175.023 176.600 -0.073 0.000 0.941 168 K CA -0.810 55.424 56.287 -0.087 0.000 0.847 168 K CB 3.550 36.020 32.500 -0.051 0.000 1.397 168 K HN 0.289 8.377 8.250 -0.269 0.000 0.422 169 M N 4.838 124.401 119.600 -0.062 0.000 2.217 169 M HA 0.016 4.551 4.480 -0.140 -0.139 0.354 169 M C -1.680 174.616 176.300 -0.006 0.000 1.225 169 M CA 0.625 55.882 55.300 -0.071 0.000 1.137 169 M CB 1.381 33.947 32.600 -0.056 0.000 1.576 169 M HN 0.350 8.612 8.290 -0.047 0.000 0.461 170 Q N 2.917 122.714 119.800 -0.005 0.000 2.456 170 Q HA 0.335 4.729 4.340 0.091 0.000 0.283 170 Q C -2.263 173.829 176.000 0.153 0.000 1.084 170 Q CA -1.133 54.715 55.803 0.076 0.000 0.801 170 Q CB 4.778 33.565 28.738 0.081 0.000 1.434 170 Q HN -0.269 7.944 8.270 -0.095 0.000 0.419 171 I N 1.916 122.615 120.570 0.216 0.000 2.447 171 I HA 0.645 5.195 4.170 0.350 -0.169 0.287 171 I C -2.047 174.221 176.117 0.251 0.000 1.023 171 I CA -2.027 59.441 61.300 0.280 0.000 1.083 171 I CB 1.647 39.816 38.000 0.281 0.000 1.245 171 I HN -0.079 8.241 8.210 0.184 0.000 0.434 172 K N 7.183 127.737 120.400 0.257 0.000 2.206 172 K HA 0.385 4.822 4.320 0.195 0.000 0.264 172 K C -2.162 174.520 176.600 0.136 0.000 0.967 172 K CA -1.831 54.563 56.287 0.179 0.000 0.844 172 K CB 2.761 35.333 32.500 0.119 0.000 1.099 172 K HN 0.773 9.211 8.250 0.315 0.000 0.441 173 I N 2.170 122.836 120.570 0.159 0.000 2.433 173 I HA 0.828 5.197 4.170 0.097 -0.142 0.292 173 I C -1.769 174.433 176.117 0.142 0.000 1.001 173 I CA -1.633 59.751 61.300 0.140 0.000 1.119 173 I CB 1.697 39.778 38.000 0.134 0.000 1.289 173 I HN -0.378 7.962 8.210 0.216 0.000 0.438 174 S N 3.398 119.150 115.700 0.086 0.000 2.661 174 S HA 0.495 5.016 4.470 0.086 0.000 0.268 174 S C -2.014 172.610 174.600 0.039 0.000 1.162 174 S CA -0.521 57.715 58.200 0.060 0.000 0.817 174 S CB 2.806 66.018 63.200 0.020 0.000 1.141 174 S HN -0.035 8.316 8.310 0.068 0.000 0.477 175 R N 0.000 120.515 120.500 0.025 0.000 2.786 175 R HA 0.000 4.350 4.340 0.016 0.000 0.208 175 R CA 0.000 56.110 56.100 0.017 0.000 0.921 175 R CB 0.000 30.317 30.300 0.029 0.000 0.687 175 R HN 0.000 8.283 8.270 0.022 0.000 0.535