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 1p7m_8_A DATA FIRST_RESID 1 DATA SEQUENCE MERCGWVSQD PLYIAYHDNE WGVPETDSKK LFEMICLEGQ QAGLSWITVL DATA SEQUENCE KKRENYRACF HQFDPVKVAA MQEEDVERLV QDAGIIRHRG KIQAIIGNAR DATA SEQUENCE AYLQMEQNGE PFADFVWSFV NHQPQMTQAT TLSEIPTSTP ASDALSKALK DATA SEQUENCE KRGFKFVGTT ICYSFMQACG LVNDHVVGCC CYPGNKP 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 4.459 4.480 -0.036 0.000 0.227 1 M C 0.000 176.288 176.300 -0.020 0.000 1.140 1 M CA 0.000 55.277 55.300 -0.038 0.000 0.988 1 M CB 0.000 32.568 32.600 -0.054 0.000 1.302 2 E N 0.433 120.621 120.200 -0.020 0.000 2.222 2 E HA 0.296 4.636 4.350 -0.017 0.000 0.272 2 E C -0.966 175.619 176.600 -0.026 0.000 0.982 2 E CA -0.913 55.475 56.400 -0.020 0.000 0.842 2 E CB 1.702 31.388 29.700 -0.022 0.000 1.144 2 E HN 0.145 8.491 8.360 -0.023 0.000 0.397 3 R N -0.067 120.402 120.500 -0.052 0.000 2.615 3 R HA 0.003 4.273 4.340 -0.117 0.000 0.270 3 R C 0.189 176.396 176.300 -0.154 0.000 1.081 3 R CA -0.062 55.956 56.100 -0.136 0.000 1.154 3 R CB 0.993 31.183 30.300 -0.182 0.000 1.063 3 R HN 0.216 8.459 8.270 -0.045 0.000 0.519 4 C N -0.807 118.345 119.300 -0.248 0.000 2.657 4 C HA 0.061 4.476 4.460 -0.074 0.000 0.404 4 C C 1.891 176.795 174.990 -0.145 0.000 1.291 4 C CA -1.528 57.397 59.018 -0.155 0.000 2.218 4 C CB 0.278 27.919 27.740 -0.166 0.000 2.687 4 C HN 0.442 8.405 8.230 -0.445 0.000 0.634 5 G N -0.139 108.612 108.800 -0.083 0.000 2.485 5 G HA2 -0.248 3.667 3.960 -0.075 0.000 0.221 5 G HA3 -0.248 3.666 3.960 -0.077 0.000 0.221 5 G C -0.379 174.489 174.900 -0.053 0.000 1.115 5 G CA 1.510 46.565 45.100 -0.075 0.000 0.751 5 G HN 0.478 8.731 8.290 -0.062 0.000 0.567 6 W N -1.714 119.420 121.300 -0.277 0.000 3.310 6 W HA -0.111 4.374 4.660 -0.291 0.000 0.259 6 W C -1.153 175.133 176.519 -0.389 0.000 1.324 6 W CA -0.463 56.683 57.345 -0.332 0.000 1.636 6 W CB -1.719 27.536 29.460 -0.342 0.000 1.104 6 W HN -0.455 7.693 8.180 0.008 0.037 0.722 7 V N -3.937 115.912 119.914 -0.107 0.000 3.332 7 V HA -0.047 4.062 4.120 -0.018 0.000 0.263 7 V C -0.052 176.000 176.094 -0.069 0.000 1.562 7 V CA 0.006 62.238 62.300 -0.113 0.000 1.040 7 V CB 1.332 32.967 31.823 -0.314 0.000 0.857 7 V HN -0.337 7.574 8.190 -0.110 0.213 0.428 8 S N -0.746 114.905 115.700 -0.081 0.000 2.660 8 S HA -0.165 4.282 4.470 -0.038 0.000 0.228 8 S C 0.417 174.998 174.600 -0.031 0.000 0.966 8 S CA 2.108 60.279 58.200 -0.049 0.000 0.940 8 S CB -0.380 62.788 63.200 -0.053 0.000 0.773 8 S HN -0.685 7.565 8.310 -0.100 0.000 0.535 9 Q N -0.194 119.584 119.800 -0.037 0.000 2.563 9 Q HA 0.106 4.437 4.340 -0.016 0.000 0.186 9 Q C -0.583 175.418 176.000 0.002 0.000 0.805 9 Q CA 0.359 56.146 55.803 -0.027 0.000 0.828 9 Q CB 0.014 28.721 28.738 -0.052 0.000 1.157 9 Q HN -0.231 7.888 8.270 -0.055 0.117 0.619 10 D N 1.255 121.645 120.400 -0.018 0.000 2.424 10 D HA 0.196 4.892 4.640 0.092 0.000 0.244 10 D C -0.450 175.953 176.300 0.172 0.000 1.134 10 D CA -1.025 53.029 54.000 0.090 0.000 0.881 10 D CB 0.195 41.070 40.800 0.125 0.000 1.191 10 D HN -0.178 8.125 8.370 -0.111 0.000 0.445 11 P HA -0.117 4.379 4.420 0.127 0.000 0.214 11 P C 1.268 178.690 177.300 0.204 0.000 1.162 11 P CA 1.880 65.072 63.100 0.154 0.000 0.871 11 P CB 0.386 32.153 31.700 0.113 0.000 0.783 12 L N -2.297 119.062 121.223 0.226 0.000 2.129 12 L HA -0.258 4.180 4.340 0.164 0.000 0.212 12 L C 2.168 179.206 176.870 0.280 0.000 1.087 12 L CA 2.934 57.901 54.840 0.213 0.000 0.757 12 L CB -1.643 40.522 42.059 0.175 0.000 0.896 12 L HN -0.267 8.093 8.230 0.217 0.000 0.434 13 Y N -2.061 118.365 120.300 0.211 0.000 2.151 13 Y HA -0.489 4.302 4.550 0.401 0.000 0.284 13 Y C 2.377 178.407 175.900 0.217 0.000 1.166 13 Y CA 4.063 62.317 58.100 0.257 0.000 1.163 13 Y CB -0.861 37.691 38.460 0.154 0.000 0.974 13 Y HN -0.094 8.529 8.280 0.601 0.018 0.511 14 I N -2.339 118.411 120.570 0.300 0.000 2.248 14 I HA -0.571 3.713 4.170 0.190 0.000 0.248 14 I C 1.537 177.777 176.117 0.205 0.000 1.107 14 I CA 3.871 65.295 61.300 0.207 0.000 1.373 14 I CB -0.538 37.548 38.000 0.142 0.000 1.055 14 I HN -0.216 8.065 8.210 0.298 0.107 0.418 15 A N 0.158 123.094 122.820 0.193 0.000 1.854 15 A HA -0.249 4.146 4.320 0.125 0.000 0.214 15 A C 1.705 179.400 177.584 0.185 0.000 1.192 15 A CA 2.711 54.844 52.037 0.159 0.000 0.611 15 A CB -0.849 18.236 19.000 0.142 0.000 0.832 15 A HN -0.378 7.785 8.150 0.202 0.108 0.442 16 Y N -0.077 120.288 120.300 0.108 0.000 2.181 16 Y HA -0.489 4.113 4.550 0.087 0.000 0.288 16 Y C 1.469 177.458 175.900 0.148 0.000 1.146 16 Y CA 2.728 60.890 58.100 0.104 0.000 1.164 16 Y CB -0.264 38.248 38.460 0.087 0.000 0.982 16 Y HN -0.388 8.086 8.280 0.323 0.000 0.515 17 H N -0.859 118.141 119.070 -0.117 0.000 2.352 17 H HA -0.439 3.987 4.556 -0.217 0.000 0.299 17 H C 2.151 177.417 175.328 -0.104 0.000 1.097 17 H CA 4.304 60.255 56.048 -0.161 0.000 1.311 17 H CB 0.270 29.987 29.762 -0.074 0.000 1.377 17 H HN 0.637 8.954 8.280 0.278 0.130 0.504 18 D N -2.590 117.753 120.400 -0.095 0.000 2.178 18 D HA -0.164 4.358 4.640 -0.196 0.000 0.202 18 D C 1.673 177.901 176.300 -0.119 0.000 0.974 18 D CA 2.377 56.310 54.000 -0.112 0.000 0.841 18 D CB -0.536 40.279 40.800 0.024 0.000 0.953 18 D HN -0.495 7.928 8.370 0.089 0.000 0.478 19 N N -0.915 117.726 118.700 -0.099 0.000 2.058 19 N HA -0.200 4.530 4.740 -0.017 0.000 0.191 19 N C 0.240 175.689 175.510 -0.103 0.000 1.037 19 N CA 2.130 55.146 53.050 -0.056 0.000 0.848 19 N CB 1.193 39.695 38.487 0.025 0.000 1.021 19 N HN -0.272 7.939 8.380 -0.080 0.121 0.422 20 E N -7.299 112.773 120.200 -0.213 0.000 2.428 20 E HA 0.122 4.400 4.350 -0.120 0.000 0.311 20 E C -1.637 174.800 176.600 -0.272 0.000 1.077 20 E CA -0.541 55.759 56.400 -0.168 0.000 0.657 20 E CB -1.596 28.056 29.700 -0.079 0.000 1.268 20 E HN -0.590 7.554 8.360 -0.360 0.000 0.407 21 W N 6.041 127.037 121.300 -0.507 0.000 1.224 21 W HA -0.169 4.053 4.660 -0.730 0.000 0.503 21 W C -0.586 175.758 176.519 -0.292 0.000 0.592 21 W CA 0.638 57.643 57.345 -0.567 0.000 2.414 21 W CB -0.696 28.366 29.460 -0.663 0.000 1.352 21 W HN 0.175 8.241 8.180 -0.191 0.000 0.226 22 G N 2.114 110.758 108.800 -0.261 0.000 2.289 22 G HA2 -0.469 3.484 3.960 -0.217 0.000 0.280 22 G HA3 -0.469 3.583 3.960 -0.224 -0.227 0.280 22 G C -0.637 174.269 174.900 0.009 0.000 1.089 22 G CA 0.475 45.470 45.100 -0.175 0.000 0.939 22 G HN 0.772 8.799 8.290 -0.301 0.082 0.499 23 V N 0.061 119.984 119.914 0.016 0.000 2.908 23 V HA 0.140 4.312 4.120 0.086 0.000 0.240 23 V C -1.768 174.354 176.094 0.047 0.000 1.117 23 V CA 0.410 62.742 62.300 0.054 0.000 1.133 23 V CB -0.438 31.406 31.823 0.034 0.000 0.857 23 V HN 0.230 8.401 8.190 -0.031 0.000 0.478 24 P HA 0.256 4.704 4.420 0.046 0.000 0.287 24 P C -1.208 176.158 177.300 0.110 0.000 1.270 24 P CA -0.994 62.139 63.100 0.055 0.000 0.844 24 P CB 0.510 32.233 31.700 0.040 0.000 1.068 25 E N 0.695 120.966 120.200 0.120 0.000 2.392 25 E HA -0.110 4.511 4.350 0.452 0.000 0.264 25 E C -0.453 176.297 176.600 0.250 0.000 1.024 25 E CA 0.114 56.652 56.400 0.230 0.000 0.903 25 E CB 0.699 30.415 29.700 0.026 0.000 0.963 25 E HN 0.207 8.607 8.360 0.067 0.000 0.432 26 T N 1.609 116.401 114.554 0.397 0.000 2.907 26 T HA 0.215 4.682 4.350 0.195 0.000 0.284 26 T C -0.702 174.186 174.700 0.313 0.000 1.004 26 T CA -0.829 61.442 62.100 0.284 0.000 1.063 26 T CB 1.666 70.675 68.868 0.234 0.000 0.992 26 T HN 0.151 8.790 8.240 0.664 0.000 0.483 27 D N 2.371 122.908 120.400 0.228 0.000 2.387 27 D HA 0.250 5.028 4.640 0.230 0.000 0.255 27 D C 1.411 177.860 176.300 0.249 0.000 1.081 27 D CA -1.357 52.774 54.000 0.219 0.000 0.994 27 D CB 2.371 43.270 40.800 0.165 0.000 1.127 27 D HN 0.186 8.670 8.370 0.189 0.000 0.513 28 S N 0.838 116.698 115.700 0.267 0.000 2.400 28 S HA -0.348 4.413 4.470 0.374 -0.066 0.232 28 S C 1.308 176.108 174.600 0.333 0.000 1.025 28 S CA 4.085 62.489 58.200 0.341 0.000 0.993 28 S CB -0.280 63.132 63.200 0.354 0.000 0.808 28 S HN 0.342 8.796 8.310 0.240 0.000 0.478 29 K N -0.237 120.317 120.400 0.257 0.000 2.057 29 K HA -0.183 4.253 4.320 0.193 0.000 0.206 29 K C 2.278 178.974 176.600 0.161 0.000 1.050 29 K CA 2.476 58.880 56.287 0.195 0.000 0.935 29 K CB -0.650 31.939 32.500 0.148 0.000 0.715 29 K HN 0.220 8.585 8.250 0.230 0.024 0.439 30 K N -0.769 119.722 120.400 0.152 0.000 2.147 30 K HA -0.173 4.200 4.320 0.089 0.000 0.205 30 K C 2.229 178.884 176.600 0.091 0.000 1.049 30 K CA 2.126 58.481 56.287 0.115 0.000 0.936 30 K CB -0.809 31.766 32.500 0.126 0.000 0.722 30 K HN -0.713 7.556 8.250 0.168 0.082 0.446 31 L N -1.671 119.625 121.223 0.122 0.000 2.042 31 L HA -0.309 4.056 4.340 0.041 0.000 0.210 31 L C 2.097 178.882 176.870 -0.142 0.000 1.076 31 L CA 3.794 58.645 54.840 0.019 0.000 0.749 31 L CB -1.171 40.939 42.059 0.086 0.000 0.893 31 L HN -0.423 7.815 8.230 0.178 0.099 0.432 32 F N -0.103 119.703 119.950 -0.239 0.000 2.146 32 F HA -0.402 3.879 4.527 -0.409 0.000 0.298 32 F C 1.688 177.349 175.800 -0.232 0.000 1.096 32 F CA 3.312 61.124 58.000 -0.314 0.000 1.275 32 F CB 0.224 38.987 39.000 -0.394 0.000 1.008 32 F HN -0.824 7.551 8.300 0.135 0.005 0.480 33 E N -0.773 119.306 120.200 -0.202 0.000 2.047 33 E HA -0.474 3.582 4.350 -0.490 0.000 0.191 33 E C 2.177 178.617 176.600 -0.266 0.000 0.987 33 E CA 2.760 58.984 56.400 -0.292 0.000 0.799 33 E CB -0.093 29.547 29.700 -0.099 0.000 0.752 33 E HN -0.688 7.678 8.360 0.011 0.000 0.449 34 M N 0.355 119.866 119.600 -0.148 0.000 2.067 34 M HA -0.351 4.092 4.480 -0.061 0.000 0.260 34 M C 1.922 178.137 176.300 -0.143 0.000 1.069 34 M CA 3.892 59.145 55.300 -0.078 0.000 1.117 34 M CB 0.402 33.034 32.600 0.053 0.000 1.334 34 M HN 0.461 8.583 8.290 -0.091 0.113 0.407 35 I N -0.502 119.922 120.570 -0.244 0.000 2.454 35 I HA -0.448 3.601 4.170 -0.202 0.000 0.254 35 I C 1.291 177.255 176.117 -0.254 0.000 1.156 35 I CA 3.005 64.125 61.300 -0.300 0.000 1.433 35 I CB -0.142 37.521 38.000 -0.563 0.000 1.082 35 I HN -0.049 7.998 8.210 -0.271 0.000 0.432 36 C N -0.403 118.680 119.300 -0.362 0.000 2.462 36 C HA -0.482 3.836 4.460 -0.237 0.000 0.278 36 C C 1.673 176.498 174.990 -0.276 0.000 1.253 36 C CA 4.721 63.533 59.018 -0.343 0.000 1.713 36 C CB 0.081 27.499 27.740 -0.537 0.000 2.049 36 C HN -0.595 7.228 8.230 -0.459 0.132 0.477 37 L N -1.912 119.147 121.223 -0.273 0.000 2.109 37 L HA -0.188 3.950 4.340 -0.337 0.000 0.207 37 L C 3.198 179.943 176.870 -0.209 0.000 1.086 37 L CA 1.957 56.620 54.840 -0.294 0.000 0.760 37 L CB -1.509 40.335 42.059 -0.358 0.000 0.910 37 L HN -0.513 7.551 8.230 -0.277 0.000 0.437 38 E N 0.283 120.415 120.200 -0.113 0.000 2.153 38 E HA -0.229 4.161 4.350 0.066 0.000 0.194 38 E C 2.960 179.555 176.600 -0.007 0.000 0.988 38 E CA 2.848 59.246 56.400 -0.003 0.000 0.811 38 E CB -0.254 29.461 29.700 0.025 0.000 0.746 38 E HN 0.637 8.815 8.360 -0.128 0.106 0.466 39 G N -3.069 105.702 108.800 -0.047 0.000 2.650 39 G HA2 -0.007 4.105 3.960 0.094 0.000 0.214 39 G HA3 -0.007 3.993 3.960 0.050 -0.010 0.214 39 G C 0.489 175.349 174.900 -0.068 0.000 1.136 39 G CA 0.933 46.046 45.100 0.021 0.000 0.789 39 G HN -0.152 7.869 8.290 -0.098 0.210 0.536 40 Q N -1.797 117.892 119.800 -0.184 0.000 2.392 40 Q HA 0.004 4.118 4.340 -0.376 0.000 0.203 40 Q C 0.539 176.440 176.000 -0.165 0.000 0.917 40 Q CA 0.559 56.189 55.803 -0.288 0.000 0.939 40 Q CB 0.477 28.960 28.738 -0.425 0.000 1.063 40 Q HN -0.502 7.471 8.270 -0.186 0.185 0.516 41 Q N -4.294 115.467 119.800 -0.065 0.000 2.444 41 Q HA -0.069 4.315 4.340 -0.019 -0.054 0.206 41 Q C -0.382 175.662 176.000 0.074 0.000 0.948 41 Q CA -0.600 55.216 55.803 0.021 0.000 0.946 41 Q CB -0.169 28.642 28.738 0.123 0.000 1.027 41 Q HN -0.833 7.364 8.270 -0.048 0.045 0.513 42 A N -0.625 122.241 122.820 0.076 0.000 2.515 42 A HA -0.128 4.271 4.320 0.131 0.000 0.263 42 A C 0.816 178.455 177.584 0.091 0.000 1.096 42 A CA 0.825 52.936 52.037 0.123 0.000 0.769 42 A CB -0.924 18.207 19.000 0.218 0.000 1.040 42 A HN -0.631 7.466 8.150 0.047 0.082 0.505 43 G N 4.209 113.064 108.800 0.090 0.000 2.377 43 G HA2 -0.348 3.655 3.960 0.072 0.000 0.250 43 G HA3 -0.348 3.651 3.960 0.064 0.000 0.250 43 G C -0.848 174.092 174.900 0.067 0.000 1.039 43 G CA 0.436 45.579 45.100 0.072 0.000 0.625 43 G HN 0.438 8.789 8.290 0.102 0.000 0.526 44 L N 0.132 121.389 121.223 0.056 0.000 2.343 44 L HA 0.055 4.425 4.340 0.049 0.000 0.275 44 L C -0.231 176.691 176.870 0.087 0.000 1.056 44 L CA -0.974 53.892 54.840 0.044 0.000 0.804 44 L CB 1.315 43.364 42.059 -0.015 0.000 1.203 44 L HN -0.948 7.072 8.230 0.050 0.240 0.440 45 S N 1.140 116.904 115.700 0.108 0.000 2.579 45 S HA -0.011 4.610 4.470 0.252 0.000 0.275 45 S C 0.611 175.331 174.600 0.200 0.000 1.345 45 S CA 0.285 58.605 58.200 0.200 0.000 1.031 45 S CB 1.126 64.451 63.200 0.209 0.000 0.892 45 S HN 0.166 8.526 8.310 0.083 0.000 0.529 46 W N 4.631 126.009 121.300 0.130 0.000 2.363 46 W HA -0.282 4.343 4.660 -0.058 0.000 0.296 46 W C 0.153 176.628 176.519 -0.073 0.000 1.212 46 W CA 3.416 60.761 57.345 -0.000 0.000 1.260 46 W CB -0.102 29.356 29.460 -0.004 0.000 1.131 46 W HN 0.780 9.295 8.180 0.559 0.000 0.530 47 I N -1.097 119.548 120.570 0.125 0.000 2.315 47 I HA -0.390 3.576 4.170 -0.341 0.000 0.248 47 I C 1.067 177.087 176.117 -0.162 0.000 1.117 47 I CA 1.932 63.201 61.300 -0.052 0.000 1.404 47 I CB -1.240 36.942 38.000 0.303 0.000 1.071 47 I HN 0.003 8.494 8.210 0.485 0.011 0.419 48 T N 1.309 115.820 114.554 -0.073 0.000 2.720 48 T HA -0.364 3.951 4.350 -0.059 0.000 0.268 48 T C 2.177 176.759 174.700 -0.196 0.000 1.037 48 T CA 4.546 66.593 62.100 -0.089 0.000 1.144 48 T CB -0.710 68.138 68.868 -0.033 0.000 0.864 48 T HN -0.310 7.838 8.240 0.020 0.104 0.444 49 V N 1.633 121.367 119.914 -0.300 0.000 2.427 49 V HA -0.380 3.552 4.120 -0.313 0.000 0.248 49 V C 1.502 177.299 176.094 -0.494 0.000 1.051 49 V CA 3.906 65.967 62.300 -0.399 0.000 1.048 49 V CB -0.732 30.811 31.823 -0.467 0.000 0.666 49 V HN -0.525 7.415 8.190 -0.279 0.082 0.456 50 L N 0.516 121.338 121.223 -0.668 0.000 1.989 50 L HA -0.502 3.414 4.340 -0.706 0.000 0.211 50 L C 1.506 178.186 176.870 -0.316 0.000 1.071 50 L CA 3.898 58.370 54.840 -0.614 0.000 0.749 50 L CB -0.276 41.398 42.059 -0.641 0.000 0.890 50 L HN -0.148 7.518 8.230 -0.756 0.110 0.431 51 K N -2.697 117.570 120.400 -0.223 0.000 2.063 51 K HA -0.435 3.825 4.320 -0.101 0.000 0.208 51 K C 2.620 179.161 176.600 -0.099 0.000 1.048 51 K CA 3.575 59.789 56.287 -0.121 0.000 0.928 51 K CB -0.422 32.032 32.500 -0.077 0.000 0.713 51 K HN -0.474 7.635 8.250 -0.235 0.000 0.442 52 K N -1.174 119.156 120.400 -0.116 0.000 2.211 52 K HA -0.182 4.373 4.320 0.019 -0.224 0.203 52 K C 2.692 179.279 176.600 -0.022 0.000 1.050 52 K CA 2.100 58.361 56.287 -0.044 0.000 0.945 52 K CB -0.458 31.983 32.500 -0.099 0.000 0.732 52 K HN -0.523 7.559 8.250 -0.163 0.070 0.451 53 R N -0.646 119.771 120.500 -0.138 0.000 2.103 53 R HA -0.389 3.898 4.340 -0.089 0.000 0.242 53 R C 2.125 178.398 176.300 -0.045 0.000 1.142 53 R CA 3.918 59.944 56.100 -0.123 0.000 0.960 53 R CB -0.181 29.974 30.300 -0.241 0.000 0.858 53 R HN 0.573 8.455 8.270 -0.224 0.254 0.439 54 E N -2.250 117.916 120.200 -0.058 0.000 2.046 54 E HA -0.294 4.032 4.350 -0.040 0.000 0.190 54 E C 2.194 178.778 176.600 -0.026 0.000 0.982 54 E CA 2.866 59.242 56.400 -0.040 0.000 0.800 54 E CB -0.143 29.530 29.700 -0.044 0.000 0.756 54 E HN -0.444 7.865 8.360 -0.086 0.000 0.449 55 N N -1.172 117.522 118.700 -0.009 0.000 2.251 55 N HA -0.218 4.495 4.740 -0.045 0.000 0.181 55 N C 1.587 177.104 175.510 0.012 0.000 1.019 55 N CA 2.485 55.528 53.050 -0.011 0.000 0.862 55 N CB -0.358 38.129 38.487 -0.000 0.000 0.992 55 N HN -0.650 7.724 8.380 -0.010 0.000 0.429 56 Y N 2.455 122.742 120.300 -0.023 0.000 2.181 56 Y HA -0.411 4.204 4.550 0.109 0.000 0.288 56 Y C 1.132 177.078 175.900 0.076 0.000 1.146 56 Y CA 4.319 62.453 58.100 0.056 0.000 1.164 56 Y CB 0.422 38.897 38.460 0.025 0.000 0.982 56 Y HN 0.503 8.753 8.280 0.173 0.133 0.515 57 R N -1.303 119.283 120.500 0.143 0.000 2.120 57 R HA -0.420 4.044 4.340 0.206 0.000 0.234 57 R C 1.666 177.928 176.300 -0.064 0.000 1.123 57 R CA 2.738 58.902 56.100 0.107 0.000 0.975 57 R CB -1.392 28.981 30.300 0.122 0.000 0.866 57 R HN -0.500 7.868 8.270 0.163 0.000 0.446 58 A N -0.689 122.050 122.820 -0.134 0.000 1.902 58 A HA -0.216 3.942 4.320 -0.271 0.000 0.217 58 A C 1.218 178.626 177.584 -0.292 0.000 1.181 58 A CA 2.640 54.545 52.037 -0.220 0.000 0.623 58 A CB -0.777 18.121 19.000 -0.171 0.000 0.818 58 A HN -0.548 7.435 8.150 -0.087 0.114 0.443 59 C N -3.953 115.115 119.300 -0.386 0.000 2.486 59 C HA -0.171 3.988 4.460 -0.500 0.000 0.279 59 C C 1.325 175.827 174.990 -0.814 0.000 1.302 59 C CA 2.623 61.254 59.018 -0.646 0.000 1.720 59 C CB 0.236 27.454 27.740 -0.869 0.000 2.030 59 C HN -0.602 7.423 8.230 -0.343 0.000 0.490 60 F N -3.642 116.074 119.950 -0.391 0.000 2.653 60 F HA 0.008 4.434 4.527 -0.169 0.000 0.304 60 F C -0.914 174.872 175.800 -0.025 0.000 1.092 60 F CA 0.162 58.016 58.000 -0.243 0.000 1.279 60 F CB 0.838 39.612 39.000 -0.378 0.000 1.044 60 F HN -0.402 7.600 8.300 -0.497 0.000 0.564 61 H N -1.847 117.186 119.070 -0.061 0.000 2.806 61 H HA 0.262 4.836 4.556 0.030 0.000 0.218 61 H C -0.900 174.303 175.328 -0.209 0.000 1.392 61 H CA -1.207 54.820 56.048 -0.035 0.000 1.358 61 H CB -0.098 29.685 29.762 0.034 0.000 1.944 61 H HN -0.403 7.715 8.280 -0.072 0.120 0.530 62 Q N 0.596 120.140 119.800 -0.425 0.000 2.096 62 Q HA -0.355 3.501 4.340 -0.807 0.000 0.204 62 Q C -0.216 174.881 176.000 -1.505 0.000 0.982 62 Q CA 3.296 58.649 55.803 -0.749 0.000 0.850 62 Q CB 0.433 29.038 28.738 -0.222 0.000 0.901 62 Q HN 0.450 8.590 8.270 -0.216 0.000 0.422 63 F N -7.216 112.468 119.950 -0.444 0.000 1.752 63 F HA -0.035 4.190 4.527 -0.504 0.000 0.241 63 F C -1.415 174.228 175.800 -0.261 0.000 1.241 63 F CA 0.468 58.229 58.000 -0.397 0.000 1.308 63 F CB 1.434 40.323 39.000 -0.185 0.000 1.944 63 F HN -0.328 7.775 8.300 -0.327 0.001 0.212 64 D N -0.749 119.711 120.400 0.099 0.000 2.181 64 D HA 0.448 5.115 4.640 0.045 0.000 0.248 64 D C -0.654 175.673 176.300 0.045 0.000 1.020 64 D CA -2.701 51.332 54.000 0.056 0.000 0.891 64 D CB 2.538 43.363 40.800 0.042 0.000 1.187 64 D HN -0.599 7.873 8.370 0.169 0.000 0.443 65 P HA -0.040 4.400 4.420 0.033 0.000 0.229 65 P C 0.300 177.591 177.300 -0.016 0.000 1.160 65 P CA 1.671 64.702 63.100 -0.115 0.000 0.777 65 P CB 0.395 31.745 31.700 -0.583 0.000 0.814 66 V N 0.546 120.460 119.914 -0.000 0.000 2.358 66 V HA -0.374 3.767 4.120 0.036 0.000 0.246 66 V C 1.796 177.913 176.094 0.039 0.000 1.047 66 V CA 3.728 66.045 62.300 0.029 0.000 1.035 66 V CB -0.474 31.366 31.823 0.029 0.000 0.658 66 V HN 0.061 8.194 8.190 -0.014 0.048 0.452 67 K N -1.233 119.192 120.400 0.042 0.000 2.097 67 K HA -0.260 4.082 4.320 0.036 0.000 0.205 67 K C 2.870 179.507 176.600 0.061 0.000 1.050 67 K CA 2.890 59.205 56.287 0.046 0.000 0.938 67 K CB -0.525 32.005 32.500 0.050 0.000 0.718 67 K HN -0.693 7.581 8.250 0.040 0.000 0.442 68 V N 0.519 120.485 119.914 0.087 0.000 2.407 68 V HA -0.375 3.824 4.120 0.131 0.000 0.248 68 V C 2.036 178.196 176.094 0.111 0.000 1.055 68 V CA 3.393 65.771 62.300 0.130 0.000 1.049 68 V CB -0.975 30.968 31.823 0.199 0.000 0.662 68 V HN -0.579 7.575 8.190 0.085 0.088 0.455 69 A N -1.627 121.242 122.820 0.083 0.000 2.172 69 A HA -0.147 4.214 4.320 0.067 0.000 0.216 69 A C 0.017 177.634 177.584 0.055 0.000 1.154 69 A CA 2.164 54.240 52.037 0.065 0.000 0.701 69 A CB -0.709 18.323 19.000 0.054 0.000 0.789 69 A HN 0.037 8.135 8.150 0.074 0.096 0.465 70 A N -3.809 119.044 122.820 0.054 0.000 2.218 70 A HA 0.112 4.454 4.320 0.036 0.000 0.209 70 A C -0.258 177.355 177.584 0.047 0.000 1.168 70 A CA 0.245 52.307 52.037 0.042 0.000 0.804 70 A CB 0.099 19.118 19.000 0.032 0.000 0.834 70 A HN -0.314 7.657 8.150 0.058 0.214 0.482 71 M N 0.611 120.252 119.600 0.068 0.000 2.220 71 M HA 0.012 4.705 4.480 0.055 -0.180 0.343 71 M C -0.190 176.162 176.300 0.087 0.000 1.470 71 M CA -1.068 54.282 55.300 0.083 0.000 1.161 71 M CB -1.562 31.124 32.600 0.144 0.000 1.737 71 M HN -0.539 7.600 8.290 0.080 0.199 0.464 72 Q N 5.258 125.097 119.800 0.066 0.000 2.199 72 Q HA 0.275 4.648 4.340 0.056 0.000 0.205 72 Q C 0.173 176.215 176.000 0.070 0.000 1.001 72 Q CA -1.119 54.719 55.803 0.058 0.000 1.019 72 Q CB 1.253 30.015 28.738 0.039 0.000 1.132 72 Q HN -0.057 8.365 8.270 0.052 -0.121 0.530 73 E N -0.263 119.971 120.200 0.056 0.000 2.153 73 E HA -0.473 3.921 4.350 0.072 0.000 0.194 73 E C 2.366 179.001 176.600 0.059 0.000 0.988 73 E CA 3.605 60.041 56.400 0.060 0.000 0.811 73 E CB -0.429 29.297 29.700 0.044 0.000 0.746 73 E HN 0.616 9.003 8.360 0.045 0.000 0.466 74 E N -1.077 119.150 120.200 0.045 0.000 2.085 74 E HA -0.337 4.032 4.350 0.032 0.000 0.194 74 E C 2.097 178.720 176.600 0.037 0.000 0.994 74 E CA 3.179 59.600 56.400 0.034 0.000 0.801 74 E CB -0.447 29.267 29.700 0.023 0.000 0.743 74 E HN 0.367 8.734 8.360 0.040 0.017 0.453 75 D N -0.998 119.428 120.400 0.044 0.000 2.144 75 D HA -0.184 4.457 4.640 0.002 0.000 0.200 75 D C 2.342 178.686 176.300 0.074 0.000 0.978 75 D CA 2.912 56.931 54.000 0.032 0.000 0.833 75 D CB -0.497 40.318 40.800 0.026 0.000 0.961 75 D HN -0.738 7.661 8.370 0.048 0.000 0.470 76 V N -0.077 119.925 119.914 0.147 0.000 2.332 76 V HA -0.503 3.858 4.120 0.401 0.000 0.248 76 V C 1.547 177.726 176.094 0.142 0.000 1.055 76 V CA 4.475 66.911 62.300 0.226 0.000 1.038 76 V CB -0.213 31.714 31.823 0.172 0.000 0.651 76 V HN -0.422 7.757 8.190 0.131 0.090 0.450 77 E N -0.881 119.370 120.200 0.085 0.000 2.110 77 E HA -0.397 3.991 4.350 0.062 0.000 0.193 77 E C 1.724 178.348 176.600 0.040 0.000 0.988 77 E CA 2.925 59.359 56.400 0.057 0.000 0.804 77 E CB -0.550 29.174 29.700 0.039 0.000 0.745 77 E HN -0.222 8.184 8.360 0.077 0.000 0.458 78 R N -0.808 119.707 120.500 0.026 0.000 2.075 78 R HA -0.189 4.149 4.340 -0.004 0.000 0.232 78 R C 2.785 179.076 176.300 -0.015 0.000 1.126 78 R CA 2.589 58.687 56.100 -0.004 0.000 0.963 78 R CB 0.333 30.619 30.300 -0.023 0.000 0.858 78 R HN -0.791 7.399 8.270 0.032 0.099 0.435 79 L N -1.498 119.716 121.223 -0.014 0.000 2.141 79 L HA -0.200 4.070 4.340 -0.116 0.000 0.209 79 L C 2.330 179.229 176.870 0.047 0.000 1.094 79 L CA 2.547 57.356 54.840 -0.051 0.000 0.763 79 L CB -0.063 41.895 42.059 -0.168 0.000 0.908 79 L HN 0.279 8.515 8.230 0.010 0.000 0.437 80 V N -6.151 113.823 119.914 0.100 0.000 2.764 80 V HA -0.386 3.816 4.120 0.137 0.000 0.261 80 V C 0.033 176.150 176.094 0.040 0.000 1.108 80 V CA 2.930 65.284 62.300 0.090 0.000 1.129 80 V CB -0.851 31.009 31.823 0.063 0.000 0.701 80 V HN 0.071 8.326 8.190 0.109 0.000 0.495 81 Q N -7.977 111.833 119.800 0.016 0.000 2.164 81 Q HA 0.092 4.432 4.340 0.001 0.000 0.226 81 Q C -0.672 175.317 176.000 -0.018 0.000 0.813 81 Q CA -1.162 54.640 55.803 -0.002 0.000 0.978 81 Q CB 1.439 30.174 28.738 -0.006 0.000 1.149 81 Q HN -0.744 7.457 8.270 0.013 0.077 0.489 82 D N 1.687 122.066 120.400 -0.035 0.000 2.336 82 D HA -0.008 4.601 4.640 -0.053 0.000 0.249 82 D C -0.460 175.803 176.300 -0.062 0.000 1.213 82 D CA 0.153 54.115 54.000 -0.064 0.000 0.870 82 D CB 0.156 40.890 40.800 -0.110 0.000 1.076 82 D HN -0.324 7.857 8.370 -0.031 0.171 0.483 83 A N 5.876 128.669 122.820 -0.046 0.000 3.526 83 A HA -0.238 4.061 4.320 -0.035 0.000 0.254 83 A C -0.039 177.536 177.584 -0.014 0.000 1.109 83 A CA 0.750 52.765 52.037 -0.037 0.000 1.395 83 A CB -1.127 17.839 19.000 -0.056 0.000 1.057 83 A HN 0.363 8.489 8.150 -0.041 0.000 0.901 84 G N -1.968 106.828 108.800 -0.006 0.000 2.225 84 G HA2 -0.307 3.656 3.960 0.004 0.000 0.264 84 G HA3 -0.307 3.654 3.960 0.001 0.000 0.264 84 G C 0.342 175.259 174.900 0.028 0.000 1.060 84 G CA 0.388 45.492 45.100 0.006 0.000 0.833 84 G HN -0.277 7.811 8.290 -0.013 0.195 0.498 85 I N -4.513 116.090 120.570 0.056 0.000 3.080 85 I HA -0.101 4.135 4.170 0.111 0.000 0.213 85 I C 0.176 176.361 176.117 0.114 0.000 1.298 85 I CA -0.843 60.532 61.300 0.126 0.000 0.726 85 I CB 0.598 38.736 38.000 0.232 0.000 1.751 85 I HN -1.062 7.173 8.210 0.042 0.000 0.957 86 I N 0.912 121.576 120.570 0.158 0.000 2.436 86 I HA -0.131 4.061 4.170 0.036 0.000 0.289 86 I C -0.623 175.543 176.117 0.081 0.000 1.083 86 I CA 0.256 61.604 61.300 0.080 0.000 1.372 86 I CB -0.605 37.414 38.000 0.032 0.000 1.408 86 I HN 0.082 8.450 8.210 0.263 0.000 0.516 87 R N 7.502 127.991 120.500 -0.019 0.000 2.298 87 R HA 0.064 4.413 4.340 0.016 0.000 0.310 87 R C -0.667 175.507 176.300 -0.210 0.000 1.068 87 R CA 0.102 56.155 56.100 -0.078 0.000 0.957 87 R CB 0.569 30.788 30.300 -0.135 0.000 1.003 87 R HN 0.235 8.476 8.270 -0.049 0.000 0.454 88 H N 3.991 123.078 119.070 0.027 0.000 5.921 88 H HA -0.055 4.512 4.556 0.017 0.000 0.862 88 H C -0.912 174.421 175.328 0.008 0.000 1.975 88 H CA 0.204 56.258 56.048 0.009 0.000 1.466 88 H CB 0.590 30.340 29.762 -0.021 0.000 4.359 88 H HN 0.315 8.640 8.280 0.074 0.000 0.677 89 R N 2.563 123.147 120.500 0.140 0.000 2.174 89 R HA -0.464 3.928 4.340 0.087 0.000 0.253 89 R C 1.257 177.604 176.300 0.079 0.000 1.165 89 R CA 3.500 59.657 56.100 0.095 0.000 0.984 89 R CB 0.023 30.371 30.300 0.079 0.000 0.873 89 R HN 0.226 8.565 8.270 0.116 0.000 0.456 90 G N -2.431 106.430 108.800 0.102 0.000 2.434 90 G HA2 -0.330 3.668 3.960 0.064 0.000 0.214 90 G HA3 -0.330 3.674 3.960 0.073 0.000 0.214 90 G C 0.461 175.396 174.900 0.058 0.000 1.202 90 G CA 1.387 46.531 45.100 0.073 0.000 0.788 90 G HN 0.310 8.667 8.290 0.151 0.024 0.539 91 K N 1.429 121.836 120.400 0.012 0.000 2.057 91 K HA -0.255 4.077 4.320 0.021 0.000 0.207 91 K C 2.304 178.779 176.600 -0.209 0.000 1.049 91 K CA 2.797 59.005 56.287 -0.132 0.000 0.931 91 K CB -0.021 32.285 32.500 -0.322 0.000 0.714 91 K HN -0.339 7.916 8.250 0.008 0.000 0.440 92 I N -2.359 118.121 120.570 -0.150 0.000 2.226 92 I HA -0.267 3.680 4.170 -0.372 0.000 0.245 92 I C 2.229 178.229 176.117 -0.194 0.000 1.100 92 I CA 1.876 63.020 61.300 -0.259 0.000 1.374 92 I CB -1.043 36.823 38.000 -0.223 0.000 1.057 92 I HN 0.106 8.284 8.210 -0.055 0.000 0.413 93 Q N 0.135 119.893 119.800 -0.069 0.000 2.181 93 Q HA -0.402 3.926 4.340 -0.021 0.000 0.205 93 Q C 1.719 177.706 176.000 -0.022 0.000 0.980 93 Q CA 3.034 58.823 55.803 -0.023 0.000 0.862 93 Q CB -1.252 27.497 28.738 0.018 0.000 0.905 93 Q HN -0.105 8.146 8.270 -0.031 0.000 0.429 94 A N -1.627 121.193 122.820 -0.000 0.000 1.930 94 A HA -0.242 4.107 4.320 0.048 0.000 0.217 94 A C 2.037 179.596 177.584 -0.043 0.000 1.175 94 A CA 2.696 54.765 52.037 0.052 0.000 0.627 94 A CB -0.837 18.341 19.000 0.297 0.000 0.815 94 A HN -0.724 7.303 8.150 0.000 0.122 0.443 95 I N -1.448 119.043 120.570 -0.131 0.000 2.315 95 I HA -0.506 3.574 4.170 -0.150 0.000 0.248 95 I C 1.560 177.620 176.117 -0.096 0.000 1.117 95 I CA 3.490 64.697 61.300 -0.156 0.000 1.404 95 I CB -0.209 37.659 38.000 -0.220 0.000 1.071 95 I HN -0.925 7.087 8.210 -0.176 0.093 0.419 96 I N -1.190 119.334 120.570 -0.076 0.000 2.264 96 I HA -0.402 3.803 4.170 0.058 0.000 0.248 96 I C 2.348 178.459 176.117 -0.010 0.000 1.111 96 I CA 1.372 62.675 61.300 0.005 0.000 1.382 96 I CB -1.939 36.077 38.000 0.026 0.000 1.060 96 I HN -0.327 7.818 8.210 -0.109 0.000 0.418 97 G N -1.205 107.564 108.800 -0.052 0.000 2.432 97 G HA2 -0.393 3.542 3.960 -0.042 0.000 0.219 97 G HA3 -0.393 3.516 3.960 -0.085 0.000 0.219 97 G C 0.974 175.758 174.900 -0.194 0.000 1.135 97 G CA 2.147 47.197 45.100 -0.083 0.000 0.767 97 G HN -0.316 7.851 8.290 -0.053 0.091 0.550 98 N N 1.984 120.496 118.700 -0.314 0.000 2.094 98 N HA -0.366 3.464 4.740 -1.517 0.000 0.191 98 N C 1.929 177.357 175.510 -0.137 0.000 1.023 98 N CA 3.019 55.629 53.050 -0.733 0.000 0.857 98 N CB -0.757 37.393 38.487 -0.561 0.000 1.013 98 N HN -0.392 7.720 8.380 -0.223 0.134 0.426 99 A N -0.124 122.768 122.820 0.121 0.000 1.877 99 A HA -0.255 4.245 4.320 0.301 0.000 0.216 99 A C 2.087 179.747 177.584 0.126 0.000 1.186 99 A CA 2.879 55.041 52.037 0.209 0.000 0.620 99 A CB -0.571 18.526 19.000 0.162 0.000 0.822 99 A HN -0.569 7.522 8.150 0.059 0.094 0.443 100 R N -1.566 118.972 120.500 0.062 0.000 2.096 100 R HA -0.365 4.019 4.340 0.073 0.000 0.235 100 R C 2.384 178.735 176.300 0.086 0.000 1.127 100 R CA 3.024 59.159 56.100 0.059 0.000 0.968 100 R CB -0.066 30.248 30.300 0.023 0.000 0.861 100 R HN -0.600 7.614 8.270 0.030 0.073 0.440 101 A N -0.612 122.237 122.820 0.048 0.000 1.972 101 A HA -0.196 4.228 4.320 0.109 -0.039 0.219 101 A C 1.165 178.982 177.584 0.389 0.000 1.169 101 A CA 2.729 54.849 52.037 0.138 0.000 0.635 101 A CB -0.521 18.458 19.000 -0.034 0.000 0.810 101 A HN 0.674 8.583 8.150 -0.055 0.208 0.446 102 Y N -0.113 120.376 120.300 0.314 0.000 2.181 102 Y HA -0.359 4.671 4.550 0.801 0.000 0.288 102 Y C 1.421 177.469 175.900 0.246 0.000 1.146 102 Y CA 3.687 62.019 58.100 0.386 0.000 1.164 102 Y CB 0.209 38.651 38.460 -0.030 0.000 0.982 102 Y HN -0.778 7.604 8.280 0.406 0.141 0.515 103 L N -2.206 119.150 121.223 0.222 0.000 2.131 103 L HA -0.335 4.053 4.340 0.081 0.000 0.210 103 L C 2.585 179.469 176.870 0.024 0.000 1.092 103 L CA 2.891 57.789 54.840 0.096 0.000 0.759 103 L CB -1.257 40.859 42.059 0.094 0.000 0.903 103 L HN -0.528 7.773 8.230 0.260 0.086 0.435 104 Q N -1.494 118.334 119.800 0.048 0.000 2.124 104 Q HA -0.289 4.284 4.340 -0.010 -0.238 0.202 104 Q C 2.843 178.795 176.000 -0.080 0.000 0.977 104 Q CA 2.654 58.456 55.803 -0.001 0.000 0.850 104 Q CB -0.187 28.567 28.738 0.027 0.000 0.901 104 Q HN -0.109 8.098 8.270 0.104 0.125 0.429 105 M N 0.020 119.541 119.600 -0.131 0.000 2.086 105 M HA -0.331 3.926 4.480 -0.371 0.000 0.261 105 M C 1.697 177.835 176.300 -0.270 0.000 1.067 105 M CA 2.364 57.452 55.300 -0.354 0.000 1.116 105 M CB -0.408 31.728 32.600 -0.772 0.000 1.348 105 M HN -0.234 7.958 8.290 -0.019 0.086 0.407 106 E N -1.110 118.955 120.200 -0.224 0.000 2.118 106 E HA -0.383 3.874 4.350 -0.154 0.000 0.195 106 E C 2.942 179.486 176.600 -0.092 0.000 0.992 106 E CA 2.903 59.215 56.400 -0.148 0.000 0.804 106 E CB -0.266 29.371 29.700 -0.104 0.000 0.741 106 E HN -0.526 7.695 8.360 -0.232 0.000 0.458 107 Q N -1.234 118.520 119.800 -0.076 0.000 2.291 107 Q HA -0.251 4.067 4.340 -0.037 0.000 0.206 107 Q C 1.392 177.353 176.000 -0.066 0.000 0.976 107 Q CA 2.479 58.250 55.803 -0.052 0.000 0.875 107 Q CB -0.088 28.627 28.738 -0.038 0.000 0.927 107 Q HN -0.026 8.099 8.270 -0.078 0.098 0.450 108 N N -3.355 115.284 118.700 -0.100 0.000 2.373 108 N HA 0.029 4.723 4.740 -0.076 0.000 0.181 108 N C -0.199 175.253 175.510 -0.095 0.000 1.082 108 N CA -0.100 52.889 53.050 -0.103 0.000 0.885 108 N CB 0.359 38.758 38.487 -0.146 0.000 0.977 108 N HN -0.200 7.910 8.380 -0.128 0.194 0.462 109 G N -1.033 107.708 108.800 -0.099 0.000 2.198 109 G HA2 -0.414 3.538 3.960 -0.065 0.000 0.260 109 G HA3 -0.414 3.516 3.960 -0.050 0.000 0.260 109 G C -0.945 173.907 174.900 -0.080 0.000 1.025 109 G CA 0.603 45.659 45.100 -0.072 0.000 0.769 109 G HN -0.170 7.823 8.290 -0.109 0.231 0.507 110 E N 0.454 120.572 120.200 -0.136 0.000 2.207 110 E HA 0.396 4.710 4.350 -0.060 0.000 0.250 110 E C -2.515 173.986 176.600 -0.165 0.000 0.890 110 E CA -3.676 52.649 56.400 -0.126 0.000 0.749 110 E CB 1.752 31.358 29.700 -0.158 0.000 1.193 110 E HN -0.644 7.578 8.360 -0.186 0.026 0.423 111 P HA -0.138 4.306 4.420 0.040 0.000 0.264 111 P C -0.214 177.152 177.300 0.111 0.000 1.179 111 P CA 0.098 63.227 63.100 0.049 0.000 0.763 111 P CB 0.637 32.413 31.700 0.126 0.000 0.806 112 F N 1.247 121.292 119.950 0.158 0.000 2.161 112 F HA -0.455 4.352 4.527 0.467 0.000 0.300 112 F C 1.934 177.895 175.800 0.268 0.000 1.089 112 F CA 4.579 62.780 58.000 0.335 0.000 1.282 112 F CB -0.036 39.112 39.000 0.247 0.000 1.010 112 F HN 0.286 8.888 8.300 0.503 0.000 0.485 113 A N -3.038 120.007 122.820 0.374 0.000 2.015 113 A HA -0.318 4.103 4.320 0.167 0.000 0.219 113 A C 1.472 179.227 177.584 0.286 0.000 1.163 113 A CA 2.713 54.925 52.037 0.292 0.000 0.646 113 A CB -0.646 18.586 19.000 0.387 0.000 0.806 113 A HN -0.009 8.378 8.150 0.411 0.010 0.448 114 D N -0.332 120.221 120.400 0.254 0.000 2.097 114 D HA -0.232 4.552 4.640 0.240 0.000 0.197 114 D C 2.097 178.504 176.300 0.178 0.000 0.984 114 D CA 3.295 57.425 54.000 0.216 0.000 0.826 114 D CB -0.282 40.612 40.800 0.157 0.000 0.973 114 D HN -0.592 7.801 8.370 0.258 0.132 0.460 115 F N -1.884 118.041 119.950 -0.041 0.000 2.206 115 F HA -0.105 4.419 4.527 -0.005 0.000 0.298 115 F C 1.376 176.978 175.800 -0.330 0.000 1.090 115 F CA 2.363 60.261 58.000 -0.170 0.000 1.323 115 F CB -0.490 38.308 39.000 -0.337 0.000 1.028 115 F HN -0.865 7.701 8.300 0.444 0.000 0.492 116 V N -0.880 118.028 119.914 -1.677 0.000 2.261 116 V HA -0.384 2.846 4.120 -1.483 0.000 0.246 116 V C 1.570 177.414 176.094 -0.416 0.000 1.047 116 V CA 2.760 64.306 62.300 -1.257 0.000 1.015 116 V CB -1.404 29.798 31.823 -1.035 0.000 0.642 116 V HN -0.661 6.513 8.190 -1.693 0.000 0.446 117 W N -0.761 120.457 121.300 -0.136 0.000 2.364 117 W HA -0.377 4.308 4.660 0.042 0.000 0.281 117 W C 1.883 178.481 176.519 0.132 0.000 1.219 117 W CA 3.980 61.358 57.345 0.055 0.000 1.220 117 W CB -0.298 29.263 29.460 0.168 0.000 1.127 117 W HN -0.461 7.658 8.180 -0.102 0.000 0.556 118 S N 0.013 115.902 115.700 0.315 0.000 2.395 118 S HA -0.231 4.443 4.470 0.341 0.000 0.225 118 S C 2.133 176.993 174.600 0.434 0.000 1.027 118 S CA 3.559 61.971 58.200 0.352 0.000 0.965 118 S CB -0.109 63.294 63.200 0.338 0.000 0.812 118 S HN -0.537 7.720 8.310 0.168 0.154 0.482 119 F N 1.636 121.624 119.950 0.063 0.000 2.216 119 F HA -0.231 4.343 4.527 0.077 0.000 0.300 119 F C 1.132 176.965 175.800 0.056 0.000 1.085 119 F CA 1.642 59.674 58.000 0.054 0.000 1.326 119 F CB -0.045 38.964 39.000 0.015 0.000 1.027 119 F HN 0.041 8.468 8.300 0.371 0.096 0.497 120 V N -3.163 116.906 119.914 0.258 0.000 3.499 120 V HA -0.083 4.121 4.120 0.139 0.000 0.308 120 V C -1.155 175.052 176.094 0.188 0.000 1.319 120 V CA -0.636 61.766 62.300 0.170 0.000 1.194 120 V CB -0.394 31.491 31.823 0.103 0.000 1.072 120 V HN -0.540 7.783 8.190 0.252 0.018 0.426 121 N N -0.674 118.155 118.700 0.214 0.000 2.776 121 N HA -0.391 4.466 4.740 0.195 0.000 0.249 121 N C -0.749 174.925 175.510 0.273 0.000 1.111 121 N CA 0.643 53.814 53.050 0.201 0.000 0.711 121 N CB -2.294 36.273 38.487 0.134 0.000 1.065 121 N HN 0.116 8.425 8.380 0.236 0.213 0.556 122 H N -4.376 114.836 119.070 0.238 0.000 2.635 122 H HA -0.528 4.340 4.556 0.415 -0.063 0.314 122 H C -1.424 174.004 175.328 0.167 0.000 1.071 122 H CA 1.891 58.086 56.048 0.245 0.000 1.144 122 H CB -1.508 28.331 29.762 0.128 0.000 1.405 122 H HN 0.535 8.951 8.280 0.400 0.104 0.398 123 Q N -1.847 118.008 119.800 0.092 0.000 2.423 123 Q HA 0.355 4.622 4.340 -0.122 0.000 0.278 123 Q C -2.714 173.341 176.000 0.090 0.000 1.097 123 Q CA -3.218 52.591 55.803 0.010 0.000 0.809 123 Q CB 2.425 31.194 28.738 0.051 0.000 1.391 123 Q HN -0.606 7.760 8.270 0.207 0.029 0.428 124 P HA -0.040 4.598 4.420 0.169 -0.116 0.275 124 P C -1.689 175.647 177.300 0.060 0.000 1.227 124 P CA -0.506 62.645 63.100 0.085 0.000 0.781 124 P CB 1.366 33.087 31.700 0.035 0.000 0.906 125 Q N 3.825 123.657 119.800 0.053 0.000 2.325 125 Q HA 0.292 4.650 4.340 0.029 0.000 0.262 125 Q C -1.586 174.416 176.000 0.002 0.000 0.968 125 Q CA -1.517 54.303 55.803 0.028 0.000 0.877 125 Q CB 2.247 31.000 28.738 0.026 0.000 1.253 125 Q HN 0.084 8.393 8.270 0.065 0.000 0.448 126 M N 8.040 127.634 119.600 -0.010 0.000 2.084 126 M HA 0.162 4.649 4.480 -0.082 -0.056 0.351 126 M C -0.422 175.849 176.300 -0.049 0.000 1.240 126 M CA -0.060 55.209 55.300 -0.051 0.000 1.083 126 M CB 1.148 33.719 32.600 -0.047 0.000 1.593 126 M HN 0.539 8.829 8.290 0.001 0.000 0.463 127 T N 6.245 120.759 114.554 -0.067 0.000 2.729 127 T HA 0.006 4.353 4.350 -0.005 0.000 0.296 127 T C -0.482 174.185 174.700 -0.056 0.000 0.928 127 T CA 0.761 62.843 62.100 -0.030 0.000 1.045 127 T CB 0.588 69.463 68.868 0.013 0.000 0.902 127 T HN 0.283 8.515 8.240 -0.099 -0.052 0.500 128 Q N 6.692 126.474 119.800 -0.029 0.000 2.247 128 Q HA -0.057 4.258 4.340 -0.043 0.000 0.205 128 Q C -0.831 175.164 176.000 -0.009 0.000 0.896 128 Q CA -0.307 55.481 55.803 -0.025 0.000 0.950 128 Q CB -0.094 28.638 28.738 -0.010 0.000 1.054 128 Q HN 0.261 8.523 8.270 -0.013 0.000 0.482 129 A N -0.552 122.268 122.820 -0.001 0.000 2.477 129 A HA -0.062 4.262 4.320 0.007 0.000 0.246 129 A C 0.353 177.943 177.584 0.010 0.000 1.078 129 A CA 0.492 52.535 52.037 0.011 0.000 0.770 129 A CB 0.694 19.711 19.000 0.030 0.000 1.011 129 A HN -0.246 7.790 8.150 -0.002 0.114 0.494 130 T N -3.187 111.370 114.554 0.006 0.000 3.044 130 T HA -0.030 4.328 4.350 0.014 0.000 0.250 130 T C -0.361 174.340 174.700 0.002 0.000 1.081 130 T CA 0.212 62.316 62.100 0.007 0.000 1.040 130 T CB 0.402 69.272 68.868 0.003 0.000 0.962 130 T HN 0.081 8.322 8.240 0.002 0.000 0.506 131 T N -2.058 112.493 114.554 -0.004 0.000 2.864 131 T HA 0.072 4.410 4.350 -0.020 0.000 0.299 131 T C 0.393 175.081 174.700 -0.019 0.000 1.166 131 T CA -2.221 59.867 62.100 -0.019 0.000 1.007 131 T CB 3.193 72.042 68.868 -0.033 0.000 1.219 131 T HN -0.682 7.513 8.240 -0.001 0.045 0.506 132 L N 1.018 122.212 121.223 -0.049 0.000 2.131 132 L HA -0.235 4.106 4.340 0.003 0.000 0.210 132 L C 1.866 178.693 176.870 -0.073 0.000 1.092 132 L CA 2.653 57.454 54.840 -0.065 0.000 0.759 132 L CB -0.442 41.503 42.059 -0.190 0.000 0.903 132 L HN 0.361 8.550 8.230 -0.068 0.000 0.435 133 S N -1.874 113.776 115.700 -0.083 0.000 2.481 133 S HA -0.237 4.173 4.470 -0.099 0.000 0.231 133 S C 0.968 175.536 174.600 -0.053 0.000 0.996 133 S CA 2.451 60.603 58.200 -0.080 0.000 0.942 133 S CB -0.230 62.924 63.200 -0.076 0.000 0.768 133 S HN -0.519 7.725 8.310 -0.084 0.015 0.520 134 E N -0.263 119.918 120.200 -0.032 0.000 2.502 134 E HA -0.004 4.332 4.350 -0.024 0.000 0.194 134 E C -0.293 176.305 176.600 -0.002 0.000 1.062 134 E CA -0.429 55.960 56.400 -0.017 0.000 0.867 134 E CB -0.011 29.683 29.700 -0.009 0.000 0.888 134 E HN -0.624 7.546 8.360 -0.031 0.172 0.510 135 I N 2.122 122.695 120.570 0.005 0.000 2.396 135 I HA 0.071 4.276 4.170 0.059 0.000 0.292 135 I C -2.509 173.604 176.117 -0.006 0.000 0.999 135 I CA -2.872 58.456 61.300 0.047 0.000 1.310 135 I CB 1.344 39.422 38.000 0.130 0.000 1.404 135 I HN -0.847 7.161 8.210 -0.010 0.196 0.496 136 P HA 0.201 4.584 4.420 -0.061 0.000 0.276 136 P C -1.376 175.820 177.300 -0.173 0.000 1.230 136 P CA -0.518 62.560 63.100 -0.037 0.000 0.776 136 P CB 0.561 32.278 31.700 0.027 0.000 0.888 137 T N -3.622 110.762 114.554 -0.284 0.000 3.044 137 T HA 0.014 3.623 4.350 -1.235 0.000 0.260 137 T C -0.541 174.034 174.700 -0.207 0.000 1.019 137 T CA 0.006 61.764 62.100 -0.569 0.000 0.921 137 T CB 0.871 69.438 68.868 -0.503 0.000 1.053 137 T HN -0.149 7.981 8.240 -0.183 0.000 0.533 138 S N 1.318 116.974 115.700 -0.073 0.000 2.461 138 S HA 0.303 4.798 4.470 0.041 0.000 0.216 138 S C -1.183 173.438 174.600 0.035 0.000 1.201 138 S CA -0.169 58.034 58.200 0.006 0.000 1.171 138 S CB 0.907 64.100 63.200 -0.012 0.000 1.169 138 S HN -0.491 7.716 8.310 -0.073 0.059 0.456 139 T N 2.806 117.405 114.554 0.076 0.000 2.945 139 T HA 0.646 5.025 4.350 0.049 0.000 0.286 139 T C -0.844 173.899 174.700 0.071 0.000 1.025 139 T CA -3.890 58.253 62.100 0.071 0.000 1.039 139 T CB 0.462 69.386 68.868 0.093 0.000 1.068 139 T HN 0.447 8.755 8.240 0.113 0.000 0.497 140 P HA -0.274 4.161 4.420 0.026 0.000 0.216 140 P C 0.680 178.011 177.300 0.052 0.000 1.150 140 P CA 2.680 65.800 63.100 0.033 0.000 0.843 140 P CB -0.409 31.298 31.700 0.011 0.000 0.787 141 A N -1.265 121.608 122.820 0.087 0.000 1.897 141 A HA -0.297 4.116 4.320 0.154 0.000 0.215 141 A C 2.041 179.763 177.584 0.229 0.000 1.181 141 A CA 2.910 55.046 52.037 0.166 0.000 0.620 141 A CB -0.994 18.103 19.000 0.162 0.000 0.821 141 A HN 0.244 8.428 8.150 0.080 0.014 0.443 142 S N -1.065 114.742 115.700 0.179 0.000 2.368 142 S HA -0.340 4.258 4.470 0.213 0.000 0.224 142 S C 1.868 176.576 174.600 0.179 0.000 1.029 142 S CA 2.842 61.159 58.200 0.195 0.000 0.988 142 S CB -0.989 62.335 63.200 0.208 0.000 0.838 142 S HN -0.308 8.016 8.310 0.147 0.074 0.462 143 D N 1.906 122.389 120.400 0.138 0.000 2.117 143 D HA -0.286 4.418 4.640 0.107 0.000 0.198 143 D C 1.370 177.748 176.300 0.131 0.000 0.982 143 D CA 2.807 56.872 54.000 0.109 0.000 0.828 143 D CB 0.017 40.857 40.800 0.067 0.000 0.967 143 D HN 0.358 8.684 8.370 0.121 0.117 0.464 144 A N -0.649 122.254 122.820 0.140 0.000 1.969 144 A HA -0.189 4.188 4.320 0.095 0.000 0.218 144 A C 2.160 180.015 177.584 0.452 0.000 1.169 144 A CA 2.821 54.952 52.037 0.157 0.000 0.635 144 A CB -0.538 18.388 19.000 -0.123 0.000 0.810 144 A HN -0.092 8.021 8.150 0.120 0.109 0.445 145 L N -1.098 120.417 121.223 0.486 0.000 2.017 145 L HA -0.410 4.237 4.340 0.512 0.000 0.208 145 L C 1.729 178.746 176.870 0.246 0.000 1.073 145 L CA 3.312 58.391 54.840 0.398 0.000 0.745 145 L CB -0.301 41.876 42.059 0.197 0.000 0.894 145 L HN -0.020 8.335 8.230 0.392 0.110 0.432 146 S N -0.831 114.978 115.700 0.181 0.000 2.359 146 S HA -0.446 4.084 4.470 0.101 0.000 0.224 146 S C 2.016 176.689 174.600 0.122 0.000 1.035 146 S CA 3.651 61.925 58.200 0.123 0.000 1.018 146 S CB -0.280 62.981 63.200 0.101 0.000 0.876 146 S HN -0.412 8.010 8.310 0.185 0.000 0.448 147 K N 1.283 121.765 120.400 0.137 0.000 2.057 147 K HA -0.311 4.056 4.320 0.079 0.000 0.207 147 K C 2.067 178.739 176.600 0.120 0.000 1.049 147 K CA 3.151 59.504 56.287 0.110 0.000 0.931 147 K CB 0.012 32.572 32.500 0.099 0.000 0.714 147 K HN -0.725 7.616 8.250 0.152 0.000 0.440 148 A N -0.955 121.981 122.820 0.193 0.000 1.898 148 A HA -0.194 4.175 4.320 0.081 0.000 0.216 148 A C 2.393 179.974 177.584 -0.006 0.000 1.181 148 A CA 2.973 55.078 52.037 0.114 0.000 0.620 148 A CB -0.637 18.500 19.000 0.228 0.000 0.819 148 A HN -0.101 8.224 8.150 0.292 0.000 0.442 149 L N -2.457 118.792 121.223 0.043 0.000 2.093 149 L HA -0.465 3.884 4.340 0.014 0.000 0.208 149 L C 2.025 178.985 176.870 0.149 0.000 1.085 149 L CA 2.759 57.636 54.840 0.060 0.000 0.755 149 L CB -0.467 41.612 42.059 0.034 0.000 0.904 149 L HN 0.483 8.667 8.230 0.111 0.112 0.435 150 K N -0.200 120.268 120.400 0.113 0.000 2.097 150 K HA -0.291 4.289 4.320 0.128 -0.183 0.206 150 K C 3.108 179.756 176.600 0.080 0.000 1.049 150 K CA 3.110 59.457 56.287 0.101 0.000 0.933 150 K CB -0.203 32.335 32.500 0.064 0.000 0.717 150 K HN 0.345 8.535 8.250 0.098 0.119 0.442 151 K N -2.176 118.256 120.400 0.054 0.000 2.097 151 K HA -0.239 4.096 4.320 0.025 0.000 0.206 151 K C 1.893 178.513 176.600 0.033 0.000 1.049 151 K CA 2.014 58.318 56.287 0.027 0.000 0.933 151 K CB -0.329 32.172 32.500 0.001 0.000 0.717 151 K HN -0.615 7.659 8.250 0.051 0.007 0.442 152 R N -3.470 117.066 120.500 0.060 0.000 2.369 152 R HA -0.180 4.182 4.340 0.036 0.000 0.200 152 R C -0.233 176.156 176.300 0.149 0.000 1.046 152 R CA 0.663 56.828 56.100 0.107 0.000 1.057 152 R CB -0.099 30.319 30.300 0.197 0.000 0.888 152 R HN -0.643 7.560 8.270 0.057 0.102 0.474 153 G N -3.035 105.830 108.800 0.108 0.000 2.147 153 G HA2 -0.395 3.588 3.960 0.037 0.000 0.244 153 G HA3 -0.395 3.573 3.960 0.013 0.000 0.244 153 G C -0.400 174.516 174.900 0.027 0.000 1.005 153 G CA 0.189 45.318 45.100 0.048 0.000 0.713 153 G HN -0.378 7.737 8.290 0.098 0.233 0.515 154 F N 1.277 121.270 119.950 0.071 0.000 2.371 154 F HA 0.165 4.895 4.527 0.098 -0.143 0.363 154 F C -0.876 174.963 175.800 0.065 0.000 1.122 154 F CA 0.180 58.231 58.000 0.084 0.000 1.129 154 F CB 1.079 40.136 39.000 0.094 0.000 1.173 154 F HN -0.514 7.943 8.300 0.306 0.027 0.489 155 K N 5.741 126.269 120.400 0.213 0.000 2.240 155 K HA 0.106 4.466 4.320 0.066 0.000 0.237 155 K C -0.255 176.516 176.600 0.285 0.000 1.027 155 K CA -0.709 55.664 56.287 0.143 0.000 0.937 155 K CB 1.481 34.016 32.500 0.058 0.000 1.171 155 K HN -0.369 8.092 8.250 0.111 -0.145 0.479 156 F N -5.579 114.397 119.950 0.043 0.000 3.039 156 F HA -0.201 4.333 4.527 0.011 0.000 0.287 156 F C -1.285 174.545 175.800 0.051 0.000 0.956 156 F CA 0.501 58.517 58.000 0.026 0.000 0.971 156 F CB -1.600 37.395 39.000 -0.009 0.000 0.943 156 F HN 0.361 8.418 8.300 -0.404 0.000 0.766 157 V N -7.059 112.937 119.914 0.137 0.000 2.838 157 V HA 0.251 4.440 4.120 0.114 0.000 0.363 157 V C -0.669 175.475 176.094 0.084 0.000 1.324 157 V CA -2.689 59.679 62.300 0.113 0.000 1.220 157 V CB -0.297 31.591 31.823 0.109 0.000 1.328 157 V HN -0.565 7.660 8.190 0.058 0.000 0.595 158 G N 0.260 109.104 108.800 0.075 0.000 2.855 158 G HA2 -0.228 3.757 3.960 0.042 0.000 0.248 158 G HA3 -0.228 3.768 3.960 0.061 0.000 0.248 158 G C 1.062 176.019 174.900 0.096 0.000 1.243 158 G CA 0.414 45.553 45.100 0.064 0.000 0.881 158 G HN -0.419 7.861 8.290 0.080 0.058 0.598 159 T N -5.536 109.072 114.554 0.090 0.000 2.881 159 T HA -0.286 4.142 4.350 0.129 0.000 0.270 159 T C 1.839 176.646 174.700 0.179 0.000 1.068 159 T CA 3.795 65.966 62.100 0.119 0.000 1.131 159 T CB 0.004 68.921 68.868 0.083 0.000 0.871 159 T HN 0.222 8.502 8.240 0.067 0.000 0.479 160 T N 3.478 118.133 114.554 0.168 0.000 2.821 160 T HA -0.254 4.286 4.350 0.317 0.000 0.267 160 T C 1.428 176.318 174.700 0.317 0.000 1.046 160 T CA 4.795 67.053 62.100 0.265 0.000 1.139 160 T CB -0.326 68.655 68.868 0.189 0.000 0.871 160 T HN -0.144 8.142 8.240 0.123 0.027 0.454 161 I N 2.310 123.002 120.570 0.203 0.000 2.252 161 I HA -0.277 3.985 4.170 0.154 0.000 0.245 161 I C 2.357 178.562 176.117 0.147 0.000 1.102 161 I CA 1.787 63.180 61.300 0.155 0.000 1.385 161 I CB -1.446 36.624 38.000 0.117 0.000 1.064 161 I HN -0.629 7.571 8.210 0.168 0.111 0.414 162 C N 0.348 119.743 119.300 0.158 0.000 2.429 162 C HA -0.431 4.103 4.460 0.123 0.000 0.277 162 C C 2.059 177.180 174.990 0.218 0.000 1.262 162 C CA 6.016 65.135 59.018 0.168 0.000 1.733 162 C CB -0.604 27.232 27.740 0.160 0.000 2.010 162 C HN 0.078 8.336 8.230 0.156 0.066 0.483 163 Y N 1.138 121.504 120.300 0.111 0.000 2.200 163 Y HA -0.376 4.217 4.550 0.072 0.000 0.290 163 Y C 1.076 177.008 175.900 0.053 0.000 1.137 163 Y CA 2.767 60.915 58.100 0.080 0.000 1.163 163 Y CB -0.010 38.494 38.460 0.073 0.000 0.988 163 Y HN 0.538 8.919 8.280 0.356 0.112 0.518 164 S N 1.246 116.634 115.700 -0.519 0.000 2.368 164 S HA -0.422 3.331 4.470 -1.195 0.000 0.225 164 S C 1.910 176.251 174.600 -0.431 0.000 1.030 164 S CA 3.100 60.910 58.200 -0.650 0.000 0.999 164 S CB -0.868 62.247 63.200 -0.141 0.000 0.844 164 S HN 0.112 8.355 8.310 0.065 0.106 0.459 165 F N 4.594 124.356 119.950 -0.312 0.000 2.126 165 F HA -0.194 4.296 4.527 -0.269 -0.125 0.299 165 F C 1.277 176.878 175.800 -0.332 0.000 1.096 165 F CA 2.920 60.752 58.000 -0.281 0.000 1.255 165 F CB -0.053 38.818 39.000 -0.216 0.000 0.997 165 F HN -0.308 8.024 8.300 0.052 0.000 0.479 166 M N -1.665 117.517 119.600 -0.697 0.000 2.159 166 M HA -0.625 3.139 4.480 -1.194 0.000 0.263 166 M C 2.096 178.020 176.300 -0.626 0.000 1.063 166 M CA 4.183 59.022 55.300 -0.768 0.000 1.110 166 M CB -0.409 32.013 32.600 -0.297 0.000 1.374 166 M HN -0.679 7.486 8.290 -0.209 0.000 0.411 167 Q N -0.389 119.068 119.800 -0.572 0.000 2.079 167 Q HA -0.254 3.934 4.340 -0.254 0.000 0.200 167 Q C 1.907 177.567 176.000 -0.566 0.000 0.974 167 Q CA 3.230 58.764 55.803 -0.449 0.000 0.840 167 Q CB 0.043 28.492 28.738 -0.482 0.000 0.898 167 Q HN -0.413 7.380 8.270 -0.641 0.093 0.430 168 A N -4.517 117.868 122.820 -0.724 0.000 2.387 168 A HA 0.149 3.959 4.320 -0.810 0.024 0.234 168 A C 0.928 178.202 177.584 -0.516 0.000 1.253 168 A CA 0.450 52.050 52.037 -0.729 0.000 0.894 168 A CB -0.448 18.083 19.000 -0.783 0.000 0.963 168 A HN -0.093 7.630 8.150 -0.713 0.000 0.508 169 C N -1.217 117.688 119.300 -0.658 0.000 2.780 169 C HA 0.016 4.240 4.460 -0.394 0.000 0.267 169 C C 0.170 174.927 174.990 -0.388 0.000 1.266 169 C CA -0.726 57.904 59.018 -0.648 0.000 1.709 169 C CB 0.857 27.691 27.740 -1.510 0.000 1.975 169 C HN -0.277 7.308 8.230 -0.777 0.179 0.582 170 G N -0.998 107.612 108.800 -0.316 0.000 2.195 170 G HA2 -0.366 3.749 3.960 -0.017 0.000 0.224 170 G HA3 -0.366 3.648 3.960 0.091 0.000 0.224 170 G C 0.156 175.041 174.900 -0.025 0.000 0.990 170 G CA 0.747 45.815 45.100 -0.053 0.000 0.639 170 G HN -0.727 7.291 8.290 -0.389 0.039 0.514 171 L N -0.239 120.739 121.223 -0.409 0.000 2.131 171 L HA -0.207 3.892 4.340 -0.402 0.000 0.210 171 L C -0.640 176.171 176.870 -0.097 0.000 1.092 171 L CA 2.262 56.848 54.840 -0.423 0.000 0.759 171 L CB 0.401 42.066 42.059 -0.657 0.000 0.903 171 L HN -0.437 7.354 8.230 -0.622 0.066 0.435 172 V N -7.598 112.250 119.914 -0.110 0.000 2.656 172 V HA 0.565 4.835 4.120 0.001 -0.149 0.307 172 V C -1.677 174.424 176.094 0.012 0.000 1.051 172 V CA -3.358 58.926 62.300 -0.027 0.000 0.893 172 V CB 2.163 33.971 31.823 -0.025 0.000 0.999 172 V HN -0.890 7.170 8.190 -0.191 0.015 0.426 173 N N 5.386 124.089 118.700 0.005 0.000 2.432 173 N HA 0.282 5.069 4.740 0.079 0.000 0.292 173 N C -1.985 173.444 175.510 -0.135 0.000 1.193 173 N CA -0.559 52.484 53.050 -0.011 0.000 0.878 173 N CB 3.388 41.859 38.487 -0.027 0.000 1.252 173 N HN 0.561 8.935 8.380 -0.011 0.000 0.520 174 D N -4.498 115.739 120.400 -0.272 0.000 3.579 174 D HA -0.246 3.860 4.640 -0.891 0.000 0.236 174 D C -0.104 176.163 176.300 -0.055 0.000 1.020 174 D CA 0.806 54.505 54.000 -0.502 0.000 1.030 174 D CB -1.140 39.322 40.800 -0.565 0.000 0.902 174 D HN 0.415 8.662 8.370 -0.206 0.000 0.409 175 H N -1.198 117.874 119.070 0.004 0.000 2.390 175 H HA -0.376 4.271 4.556 0.151 0.000 0.298 175 H C 0.222 175.569 175.328 0.032 0.000 1.106 175 H CA 1.900 57.981 56.048 0.055 0.000 1.297 175 H CB 0.449 30.178 29.762 -0.055 0.000 1.375 175 H HN -0.105 7.920 8.280 -0.426 0.000 0.509 176 V N -3.991 115.990 119.914 0.111 0.000 4.114 176 V HA 0.104 4.391 4.120 0.051 -0.136 0.505 176 V C -1.478 174.642 176.094 0.045 0.000 1.609 176 V CA -1.477 60.859 62.300 0.062 0.000 2.377 176 V CB 0.389 32.247 31.823 0.059 0.000 0.852 176 V HN -0.617 7.603 8.190 0.068 0.011 0.562 177 V N 4.651 124.550 119.914 -0.024 0.000 5.674 177 V HA -0.323 3.726 4.120 -0.119 0.000 0.156 177 V C -0.964 175.262 176.094 0.220 0.000 0.726 177 V CA 1.911 64.233 62.300 0.035 0.000 0.518 177 V CB -1.081 30.750 31.823 0.013 0.000 0.181 177 V HN -0.333 7.795 8.190 -0.103 0.000 0.381 178 G N 1.922 110.938 108.800 0.360 0.000 2.828 178 G HA2 -0.111 3.930 3.960 0.135 0.000 0.226 178 G HA3 -0.111 3.915 3.960 0.110 0.000 0.226 178 G C -2.012 172.953 174.900 0.108 0.000 1.090 178 G CA -0.641 44.567 45.100 0.180 0.000 1.035 178 G HN -0.023 8.582 8.290 0.525 0.000 0.578 179 C N -1.162 118.241 119.300 0.170 0.000 2.391 179 C HA 0.755 5.387 4.460 0.036 -0.150 0.339 179 C C 1.209 176.201 174.990 0.004 0.000 1.205 179 C CA -2.864 56.192 59.018 0.065 0.000 1.937 179 C CB 1.413 29.187 27.740 0.057 0.000 2.341 179 C HN -0.338 8.149 8.230 0.428 0.000 0.516 180 C N 5.029 124.339 119.300 0.016 0.000 2.413 180 C HA -0.302 4.210 4.460 -0.052 -0.083 0.276 180 C C 1.216 176.207 174.990 0.001 0.000 1.248 180 C CA 3.833 62.850 59.018 -0.001 0.000 1.742 180 C CB -0.021 27.742 27.740 0.038 0.000 2.017 180 C HN 0.906 9.044 8.230 0.028 0.109 0.481 181 C N -0.037 119.314 119.300 0.085 0.000 2.413 181 C HA -0.249 4.209 4.460 -0.004 0.000 0.277 181 C C -0.426 174.538 174.990 -0.044 0.000 1.265 181 C CA 2.440 61.466 59.018 0.013 0.000 1.752 181 C CB -0.158 27.604 27.740 0.036 0.000 1.998 181 C HN -0.436 7.912 8.230 0.206 0.006 0.489 182 Y N 1.797 121.969 120.300 -0.213 0.000 2.434 182 Y HA 0.324 4.786 4.550 -0.147 0.000 0.341 182 Y C -2.756 173.082 175.900 -0.104 0.000 0.965 182 Y CA -4.360 53.628 58.100 -0.186 0.000 1.205 182 Y CB 0.486 38.781 38.460 -0.276 0.000 1.121 182 Y HN -0.748 7.400 8.280 -0.046 0.104 0.507 183 P HA 0.107 4.222 4.420 -0.508 0.000 0.275 183 P C -0.215 176.561 177.300 -0.873 0.000 1.227 183 P CA -0.511 62.227 63.100 -0.603 0.000 0.781 183 P CB 1.235 32.773 31.700 -0.270 0.000 0.906 184 G N 0.654 109.080 108.800 -0.625 0.000 3.061 184 G HA2 -0.287 3.436 3.960 -0.395 0.000 0.208 184 G HA3 -0.287 3.535 3.960 -0.231 0.000 0.208 184 G C -0.237 174.568 174.900 -0.157 0.000 1.175 184 G CA -0.221 44.661 45.100 -0.363 0.000 0.812 184 G HN 0.276 8.285 8.290 -0.467 0.000 0.523 185 N N -3.886 114.715 118.700 -0.164 0.000 2.882 185 N HA -0.253 4.445 4.740 -0.070 0.000 0.249 185 N C -0.941 174.531 175.510 -0.063 0.000 1.079 185 N CA 0.546 53.551 53.050 -0.075 0.000 0.800 185 N CB -0.754 37.718 38.487 -0.024 0.000 1.124 185 N HN -0.034 8.066 8.380 -0.244 0.133 0.557 186 K N 0.011 120.362 120.400 -0.083 0.000 2.098 186 K HA 0.358 4.652 4.320 -0.044 0.000 0.258 186 K C -1.151 175.417 176.600 -0.053 0.000 0.973 186 K CA -1.331 54.921 56.287 -0.059 0.000 0.898 186 K CB 0.143 32.605 32.500 -0.063 0.000 1.057 186 K HN -0.529 7.617 8.250 -0.119 0.033 0.447 187 P HA 0.000 4.402 4.420 -0.030 0.000 0.216 187 P CA 0.000 63.081 63.100 -0.032 0.000 0.800 187 P CB 0.000 31.685 31.700 -0.025 0.000 0.726