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 2dfb_1_A DATA FIRST_RESID 2 DATA SEQUENCE TIQPGTGYNN GYFYSYWNDG HGGVTYTNGP GGQFSVNWSN SGNFVGGKGW DATA SEQUENCE QPGTKNKVIN FSGSYNPNGN SYLSVYGWSR NPLIEYYIVE NFGTYNPSTG DATA SEQUENCE ATKLGEVTSD GSVYDIYRTQ RVNQPSIIGT ATFYQYWSVR RNHRSSGSVN DATA SEQUENCE TANHFNAWAQ QGLTLGTMDY QIVAVEGYFS SGSASITVS 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 2 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 2 T C 0.000 174.696 174.700 -0.006 0.000 1.109 2 T CA 0.000 62.069 62.100 -0.051 0.000 1.349 2 T CB 0.000 68.838 68.868 -0.049 0.000 0.612 3 I N -0.913 119.681 120.570 0.040 0.000 2.934 3 I HA 0.732 4.900 4.170 -0.004 0.000 0.306 3 I C 0.050 176.285 176.117 0.197 0.000 1.110 3 I CA -1.383 59.976 61.300 0.098 0.000 1.019 3 I CB 2.213 40.271 38.000 0.096 0.000 1.227 3 I HN 0.938 9.148 8.210 -0.000 0.000 0.434 4 Q N 2.022 121.920 119.800 0.164 0.000 2.396 4 Q HA 0.515 4.853 4.340 -0.004 0.000 0.221 4 Q C -2.699 173.386 176.000 0.141 0.000 1.025 4 Q CA -1.668 54.228 55.803 0.154 0.000 0.946 4 Q CB -0.329 28.433 28.738 0.040 0.000 1.224 4 Q HN 0.410 8.681 8.270 -0.000 0.000 0.539 5 P HA 0.223 4.643 4.420 -0.000 0.000 0.265 5 P C -0.454 176.790 177.300 -0.093 0.000 1.187 5 P CA 0.855 63.736 63.100 -0.365 0.000 0.766 5 P CB 0.258 31.642 31.700 -0.527 0.000 0.820 6 G N 0.507 109.278 108.800 -0.049 0.000 2.320 6 G HA2 0.533 4.490 3.960 -0.004 0.000 0.296 6 G HA3 0.533 4.490 3.960 -0.004 0.000 0.296 6 G C -1.381 173.450 174.900 -0.115 0.000 1.306 6 G CA -0.280 44.806 45.100 -0.023 0.000 0.836 6 G HN 0.635 8.925 8.290 -0.000 0.000 0.517 7 T N -2.886 111.506 114.554 -0.270 0.000 2.901 7 T HA 1.007 5.354 4.350 -0.004 0.000 0.293 7 T C 0.311 174.484 174.700 -0.878 0.000 1.084 7 T CA 0.350 62.005 62.100 -0.740 0.000 1.008 7 T CB 1.974 70.560 68.868 -0.470 0.000 1.170 7 T HN 2.548 10.788 8.240 -0.000 0.000 0.509 8 G N -0.199 107.719 108.800 -1.469 0.000 2.336 8 G HA2 0.429 4.387 3.960 -0.004 0.000 0.286 8 G HA3 0.429 4.387 3.960 -0.004 0.000 0.286 8 G C -2.402 172.045 174.900 -0.756 0.000 1.269 8 G CA -0.950 43.724 45.100 -0.710 0.000 0.873 8 G HN 0.755 9.045 8.290 -0.000 0.000 0.494 9 Y N 0.948 121.225 120.300 -0.038 0.000 2.429 9 Y HA 0.700 5.247 4.550 -0.004 0.000 0.342 9 Y C 0.298 176.364 175.900 0.278 0.000 1.004 9 Y CA -0.671 57.508 58.100 0.132 0.000 1.075 9 Y CB 2.407 40.929 38.460 0.103 0.000 1.214 9 Y HN 0.533 8.813 8.280 -0.000 0.000 0.455 10 N N 3.071 122.001 118.700 0.383 0.000 2.500 10 N HA 0.117 4.855 4.740 -0.004 0.000 0.291 10 N C -1.350 174.304 175.510 0.239 0.000 1.092 10 N CA -0.313 52.887 53.050 0.251 0.000 0.890 10 N CB 0.814 39.362 38.487 0.101 0.000 1.466 10 N HN 0.822 9.202 8.380 -0.000 0.000 0.507 11 N N 2.629 121.443 118.700 0.190 0.000 2.708 11 N HA -0.210 4.527 4.740 -0.004 0.000 0.251 11 N C 0.933 176.578 175.510 0.226 0.000 1.017 11 N CA 1.706 54.867 53.050 0.186 0.000 0.742 11 N CB -1.349 37.239 38.487 0.168 0.000 0.943 11 N HN 1.034 9.414 8.380 -0.000 0.000 0.539 12 G N -2.429 106.481 108.800 0.182 0.000 2.179 12 G HA2 -0.365 3.592 3.960 -0.004 0.000 0.260 12 G HA3 -0.365 3.592 3.960 -0.004 0.000 0.260 12 G C -0.191 174.706 174.900 -0.005 0.000 0.977 12 G CA 0.538 45.684 45.100 0.076 0.000 0.641 12 G HN 0.489 8.779 8.290 -0.000 0.000 0.533 13 Y N -0.443 119.959 120.300 0.171 0.000 2.342 13 Y HA 0.625 5.172 4.550 -0.004 0.000 0.334 13 Y C 0.584 176.414 175.900 -0.115 0.000 1.067 13 Y CA -1.314 56.784 58.100 -0.003 0.000 1.128 13 Y CB 0.948 39.340 38.460 -0.113 0.000 1.200 13 Y HN 0.165 8.445 8.280 -0.000 0.000 0.464 14 F N 5.171 124.855 119.950 -0.443 0.000 2.563 14 F HA 0.226 4.750 4.527 -0.004 0.000 0.363 14 F C -0.604 175.001 175.800 -0.324 0.000 1.123 14 F CA -0.585 56.928 58.000 -0.813 0.000 1.307 14 F CB 0.065 38.664 39.000 -0.669 0.000 1.115 14 F HN 0.419 8.719 8.300 -0.000 0.000 0.592 15 Y N 2.060 121.628 120.300 -1.221 0.000 2.545 15 Y HA 0.664 5.211 4.550 -0.004 0.000 0.348 15 Y C -1.180 173.933 175.900 -1.312 0.000 1.002 15 Y CA -1.428 56.123 58.100 -0.914 0.000 1.039 15 Y CB 1.352 39.558 38.460 -0.423 0.000 1.271 15 Y HN 0.547 8.827 8.280 -0.000 0.000 0.467 16 S N 2.575 117.853 115.700 -0.703 0.000 2.571 16 S HA 0.549 5.017 4.470 -0.004 0.000 0.284 16 S C -2.404 172.032 174.600 -0.274 0.000 1.128 16 S CA -0.459 57.406 58.200 -0.559 0.000 0.970 16 S CB 0.798 63.618 63.200 -0.634 0.000 1.039 16 S HN 0.748 9.058 8.310 -0.000 0.000 0.485 17 Y N 4.773 124.858 120.300 -0.358 0.000 2.346 17 Y HA 0.681 5.229 4.550 -0.004 0.000 0.332 17 Y C -1.636 174.217 175.900 -0.078 0.000 0.985 17 Y CA -1.485 56.373 58.100 -0.402 0.000 1.112 17 Y CB 1.009 38.969 38.460 -0.834 0.000 1.170 17 Y HN 0.836 9.116 8.280 -0.000 0.000 0.447 18 W N 8.870 129.923 121.300 -0.413 0.000 2.915 18 W HA 0.601 5.259 4.660 -0.004 0.000 0.337 18 W C -1.763 174.546 176.519 -0.350 0.000 1.102 18 W CA -0.550 56.568 57.345 -0.378 0.000 1.224 18 W CB 1.345 30.739 29.460 -0.109 0.000 1.416 18 W HN 0.699 8.879 8.180 -0.000 0.000 0.503 19 N N 1.681 119.518 118.700 -1.439 0.000 2.647 19 N HA 0.296 5.034 4.740 -0.004 0.000 0.266 19 N C -0.418 174.116 175.510 -1.626 0.000 1.373 19 N CA -0.567 51.676 53.050 -1.345 0.000 0.807 19 N CB 1.403 39.530 38.487 -0.600 0.000 1.513 19 N HN 0.357 8.737 8.380 -0.000 0.000 0.505 20 D N -1.613 118.163 120.400 -1.039 0.000 2.328 20 D HA 0.188 4.826 4.640 -0.004 0.000 0.221 20 D C 1.046 177.206 176.300 -0.234 0.000 1.072 20 D CA 0.349 54.054 54.000 -0.491 0.000 0.850 20 D CB -0.738 39.966 40.800 -0.160 0.000 0.922 20 D HN 1.052 9.422 8.370 -0.000 0.000 0.516 21 G N 0.400 109.039 108.800 -0.268 0.000 2.162 21 G HA2 -0.414 3.544 3.960 -0.004 0.000 0.260 21 G HA3 -0.414 3.544 3.960 -0.004 0.000 0.260 21 G C 0.839 175.695 174.900 -0.072 0.000 0.976 21 G CA 0.666 45.677 45.100 -0.148 0.000 0.655 21 G HN 0.571 8.861 8.290 -0.000 0.000 0.533 22 H N 0.528 119.501 119.070 -0.162 0.000 2.389 22 H HA 0.403 4.956 4.556 -0.004 0.000 0.299 22 H C 1.717 176.986 175.328 -0.098 0.000 1.081 22 H CA 3.194 59.173 56.048 -0.115 0.000 1.345 22 H CB 0.085 29.721 29.762 -0.209 0.000 1.393 22 H HN 1.711 9.991 8.280 -0.000 0.000 0.520 23 G N -2.688 106.023 108.800 -0.149 0.000 2.462 23 G HA2 0.303 4.261 3.960 -0.004 0.000 0.685 23 G HA3 0.303 4.261 3.960 -0.004 0.000 0.685 23 G C 0.595 175.457 174.900 -0.064 0.000 1.295 23 G CA 0.048 45.056 45.100 -0.154 0.000 0.941 23 G HN 1.161 9.451 8.290 -0.000 0.000 0.554 24 G N -2.479 106.291 108.800 -0.050 0.000 2.137 24 G HA2 0.191 4.149 3.960 -0.004 0.000 0.237 24 G HA3 0.191 4.149 3.960 -0.004 0.000 0.237 24 G C 0.204 175.105 174.900 0.001 0.000 1.002 24 G CA 0.914 46.015 45.100 0.001 0.000 0.702 24 G HN 1.960 10.250 8.290 -0.000 0.000 0.515 25 V N -0.008 119.868 119.914 -0.063 0.000 2.709 25 V HA 0.789 4.907 4.120 -0.004 0.000 0.308 25 V C 0.008 176.045 176.094 -0.096 0.000 1.062 25 V CA -0.412 61.791 62.300 -0.161 0.000 0.901 25 V CB 2.227 33.827 31.823 -0.373 0.000 1.003 25 V HN 0.300 8.490 8.190 -0.000 0.000 0.425 26 T N 4.070 118.556 114.554 -0.114 0.000 2.815 26 T HA 0.504 4.851 4.350 -0.004 0.000 0.289 26 T C -1.241 173.350 174.700 -0.182 0.000 1.000 26 T CA -0.292 61.745 62.100 -0.105 0.000 0.958 26 T CB 0.800 69.628 68.868 -0.065 0.000 0.944 26 T HN 0.583 8.823 8.240 -0.000 0.000 0.442 27 Y N 2.493 122.528 120.300 -0.442 0.000 2.352 27 Y HA 0.585 5.132 4.550 -0.004 0.000 0.339 27 Y C -0.441 175.266 175.900 -0.321 0.000 0.992 27 Y CA -0.459 57.312 58.100 -0.549 0.000 1.100 27 Y CB 1.493 39.135 38.460 -1.363 0.000 1.192 27 Y HN 0.558 8.838 8.280 -0.000 0.000 0.458 28 T N 6.036 120.132 114.554 -0.764 0.000 2.949 28 T HA 0.266 4.614 4.350 -0.004 0.000 0.300 28 T C -1.009 173.339 174.700 -0.587 0.000 0.988 28 T CA -0.994 60.813 62.100 -0.489 0.000 0.993 28 T CB 0.456 69.156 68.868 -0.280 0.000 0.984 28 T HN 0.533 8.773 8.240 -0.000 0.000 0.442 29 N N 1.812 120.273 118.700 -0.398 0.000 2.520 29 N HA 0.493 5.230 4.740 -0.004 0.000 0.273 29 N C 0.448 175.863 175.510 -0.159 0.000 1.155 29 N CA 0.121 53.019 53.050 -0.254 0.000 0.967 29 N CB 1.576 39.916 38.487 -0.245 0.000 1.092 29 N HN 0.830 9.210 8.380 -0.000 0.000 0.457 30 G N 1.172 109.910 108.800 -0.102 0.000 3.016 30 G HA2 0.554 4.512 3.960 -0.004 0.000 0.270 30 G HA3 0.554 4.512 3.960 -0.004 0.000 0.270 30 G C -2.798 172.084 174.900 -0.030 0.000 1.352 30 G CA -1.255 43.802 45.100 -0.072 0.000 1.060 30 G HN 0.272 8.562 8.290 -0.000 0.000 0.538 31 P HA 0.268 4.688 4.420 -0.000 0.000 0.269 31 P C 1.050 178.370 177.300 0.033 0.000 1.209 31 P CA 1.320 64.430 63.100 0.016 0.000 0.776 31 P CB 0.789 32.495 31.700 0.010 0.000 0.876 32 G N 2.522 111.376 108.800 0.090 0.000 2.634 32 G HA2 -0.278 3.679 3.960 -0.004 0.000 0.309 32 G HA3 -0.278 3.679 3.960 -0.004 0.000 0.309 32 G C 1.068 176.004 174.900 0.060 0.000 1.265 32 G CA 0.264 45.455 45.100 0.151 0.000 0.998 32 G HN 0.761 9.051 8.290 -0.000 0.000 0.551 33 G N 0.456 109.129 108.800 -0.212 0.000 3.181 33 G HA2 0.394 4.352 3.960 -0.004 0.000 0.219 33 G HA3 0.394 4.352 3.960 -0.004 0.000 0.219 33 G C 0.663 175.417 174.900 -0.243 0.000 1.182 33 G CA 1.180 45.866 45.100 -0.690 0.000 0.791 33 G HN 0.826 9.116 8.290 -0.000 0.000 0.537 34 Q N 0.283 120.026 119.800 -0.096 0.000 2.235 34 Q HA 0.570 4.908 4.340 -0.004 0.000 0.250 34 Q C -0.981 175.033 176.000 0.022 0.000 0.909 34 Q CA -0.851 54.912 55.803 -0.067 0.000 0.910 34 Q CB 0.891 29.577 28.738 -0.086 0.000 1.223 34 Q HN 0.209 8.479 8.270 -0.000 0.000 0.432 35 F N -0.180 119.682 119.950 -0.147 0.000 2.645 35 F HA 0.738 5.263 4.527 -0.004 0.000 0.310 35 F C -1.415 174.251 175.800 -0.223 0.000 1.102 35 F CA -0.936 56.909 58.000 -0.258 0.000 0.952 35 F CB 1.313 40.148 39.000 -0.276 0.000 1.326 35 F HN 0.472 8.772 8.300 -0.000 0.000 0.456 36 S N 0.746 116.272 115.700 -0.290 0.000 2.570 36 S HA 0.926 5.394 4.470 -0.004 0.000 0.286 36 S C -1.640 172.872 174.600 -0.146 0.000 1.099 36 S CA -0.754 57.308 58.200 -0.230 0.000 0.913 36 S CB 1.747 64.841 63.200 -0.176 0.000 1.085 36 S HN 0.953 9.263 8.310 -0.000 0.000 0.480 37 V N 1.822 121.763 119.914 0.044 0.000 2.686 37 V HA 0.595 4.713 4.120 -0.004 0.000 0.306 37 V C -0.580 175.685 176.094 0.286 0.000 1.065 37 V CA -0.736 61.645 62.300 0.134 0.000 0.894 37 V CB 1.601 33.572 31.823 0.246 0.000 1.004 37 V HN 1.046 9.236 8.190 -0.000 0.000 0.424 38 N N 3.407 122.225 118.700 0.197 0.000 2.296 38 N HA 0.676 5.414 4.740 -0.004 0.000 0.294 38 N C -1.498 174.162 175.510 0.251 0.000 1.033 38 N CA -0.602 52.558 53.050 0.183 0.000 0.839 38 N CB 2.414 40.914 38.487 0.021 0.000 1.395 38 N HN 0.824 9.204 8.380 -0.000 0.000 0.479 39 W N 1.899 123.143 121.300 -0.092 0.000 3.107 39 W HA 0.614 5.271 4.660 -0.004 0.000 0.331 39 W C -1.608 174.888 176.519 -0.038 0.000 1.204 39 W CA -1.015 56.262 57.345 -0.114 0.000 1.184 39 W CB 1.299 30.653 29.460 -0.178 0.000 1.421 39 W HN 0.290 8.470 8.180 -0.000 0.000 0.544 40 S N 3.063 118.819 115.700 0.094 0.000 2.706 40 S HA 0.261 4.728 4.470 -0.004 0.000 0.270 40 S C -0.556 174.093 174.600 0.082 0.000 1.163 40 S CA -0.611 57.596 58.200 0.011 0.000 1.042 40 S CB -0.174 63.012 63.200 -0.023 0.000 1.079 40 S HN 0.729 9.039 8.310 -0.000 0.000 0.474 41 N N 2.135 120.900 118.700 0.109 0.000 2.714 41 N HA -0.147 4.590 4.740 -0.004 0.000 0.253 41 N C 0.192 175.815 175.510 0.189 0.000 1.024 41 N CA 1.343 54.485 53.050 0.153 0.000 0.726 41 N CB -1.635 36.930 38.487 0.130 0.000 0.908 41 N HN 0.905 9.285 8.380 -0.000 0.000 0.542 42 S N -1.558 114.258 115.700 0.193 0.000 2.626 42 S HA 0.645 5.113 4.470 -0.004 0.000 0.257 42 S C 1.225 175.614 174.600 -0.352 0.000 1.288 42 S CA 0.069 58.329 58.200 0.100 0.000 0.980 42 S CB 1.518 64.870 63.200 0.253 0.000 0.975 42 S HN 0.417 8.727 8.310 -0.000 0.000 0.577 43 G N -0.144 108.307 108.800 -0.583 0.000 2.882 43 G HA2 0.281 4.239 3.960 -0.004 0.000 0.164 43 G HA3 0.281 4.239 3.960 -0.004 0.000 0.164 43 G C -0.511 173.850 174.900 -0.899 0.000 1.429 43 G CA -0.926 43.206 45.100 -1.614 0.000 1.059 43 G HN 0.868 9.158 8.290 -0.000 0.000 0.581 44 N N -0.387 118.002 118.700 -0.519 0.000 2.455 44 N HA 0.492 5.230 4.740 -0.004 0.000 0.280 44 N C -1.180 174.328 175.510 -0.002 0.000 1.055 44 N CA -0.439 52.585 53.050 -0.042 0.000 0.961 44 N CB 0.689 39.412 38.487 0.393 0.000 1.121 44 N HN 0.348 8.728 8.380 -0.000 0.000 0.476 45 F N 0.902 120.853 119.950 0.002 0.000 2.662 45 F HA 0.713 5.237 4.527 -0.004 0.000 0.312 45 F C -1.806 174.112 175.800 0.197 0.000 1.113 45 F CA -0.882 57.128 58.000 0.016 0.000 0.951 45 F CB 1.008 39.961 39.000 -0.078 0.000 1.344 45 F HN 0.003 8.303 8.300 -0.000 0.000 0.462 46 V N 1.214 121.369 119.914 0.402 0.000 2.711 46 V HA 0.864 4.982 4.120 -0.004 0.000 0.304 46 V C -0.343 175.938 176.094 0.311 0.000 1.097 46 V CA -0.294 62.121 62.300 0.191 0.000 0.906 46 V CB 1.433 33.294 31.823 0.063 0.000 1.015 46 V HN 1.328 9.518 8.190 -0.000 0.000 0.427 47 G N 1.623 110.568 108.800 0.241 0.000 2.706 47 G HA2 0.907 4.864 3.960 -0.004 0.000 0.297 47 G HA3 0.907 4.864 3.960 -0.004 0.000 0.297 47 G C -0.474 174.337 174.900 -0.148 0.000 1.403 47 G CA -0.021 45.116 45.100 0.061 0.000 0.954 47 G HN 1.330 9.620 8.290 -0.000 0.000 0.500 48 G N -0.300 108.230 108.800 -0.449 0.000 2.317 48 G HA2 0.517 4.475 3.960 -0.004 0.000 0.293 48 G HA3 0.517 4.475 3.960 -0.004 0.000 0.293 48 G C -1.697 172.841 174.900 -0.603 0.000 1.287 48 G CA -0.858 43.539 45.100 -1.172 0.000 0.850 48 G HN 0.626 8.916 8.290 -0.000 0.000 0.515 49 K N -0.776 119.348 120.400 -0.459 0.000 2.328 49 K HA 0.786 5.104 4.320 -0.004 0.000 0.246 49 K C 0.301 176.869 176.600 -0.053 0.000 0.955 49 K CA -0.029 56.174 56.287 -0.140 0.000 0.817 49 K CB 2.203 34.669 32.500 -0.056 0.000 1.208 49 K HN 1.251 9.501 8.250 -0.000 0.000 0.432 50 G N 0.838 109.582 108.800 -0.093 0.000 2.570 50 G HA2 0.137 4.095 3.960 -0.004 0.000 0.072 50 G HA3 0.137 4.095 3.960 -0.004 0.000 0.072 50 G C -1.750 172.888 174.900 -0.436 0.000 1.030 50 G CA -0.630 44.245 45.100 -0.374 0.000 1.277 50 G HN 0.482 8.772 8.290 -0.000 0.000 0.559 51 W N 0.137 121.632 121.300 0.326 0.000 3.127 51 W HA 0.706 5.365 4.660 -0.002 0.000 0.330 51 W C -0.968 175.508 176.519 -0.072 0.000 1.187 51 W CA -0.470 56.987 57.345 0.188 0.000 1.198 51 W CB 2.168 31.729 29.460 0.168 0.000 1.408 51 W HN 0.537 8.717 8.180 -0.000 0.000 0.529 52 Q N 3.277 123.076 119.800 -0.002 0.000 2.337 52 Q HA 0.362 4.700 4.340 -0.004 0.000 0.260 52 Q C -2.445 173.551 176.000 -0.007 0.000 0.982 52 Q CA -1.291 54.340 55.803 -0.286 0.000 0.734 52 Q CB 1.700 29.833 28.738 -1.009 0.000 1.272 52 Q HN 0.088 8.358 8.270 -0.000 0.000 0.461 53 P HA 0.461 4.881 4.420 -0.000 0.000 0.278 53 P C 0.112 177.477 177.300 0.109 0.000 1.258 53 P CA -0.375 62.735 63.100 0.016 0.000 0.811 53 P CB 0.960 32.658 31.700 -0.003 0.000 1.063 54 G N 0.122 108.992 108.800 0.116 0.000 2.684 54 G HA2 0.474 4.432 3.960 -0.004 0.000 0.255 54 G HA3 0.474 4.432 3.960 -0.004 0.000 0.255 54 G C -0.171 174.748 174.900 0.033 0.000 1.219 54 G CA -0.050 45.127 45.100 0.127 0.000 0.901 54 G HN 0.807 9.097 8.290 -0.000 0.000 0.548 55 T N -2.969 111.587 114.554 0.002 0.000 2.916 55 T HA 0.487 4.835 4.350 -0.004 0.000 0.292 55 T C 0.481 175.216 174.700 0.059 0.000 1.064 55 T CA -0.914 61.177 62.100 -0.016 0.000 1.011 55 T CB 2.182 71.011 68.868 -0.064 0.000 1.152 55 T HN 0.355 8.595 8.240 -0.000 0.000 0.510 56 K N 0.822 121.245 120.400 0.038 0.000 2.417 56 K HA 0.147 4.465 4.320 -0.004 0.000 0.196 56 K C 0.592 177.301 176.600 0.182 0.000 1.023 56 K CA 0.060 56.439 56.287 0.153 0.000 1.122 56 K CB -0.006 32.493 32.500 -0.002 0.000 0.850 56 K HN 0.667 8.917 8.250 -0.000 0.000 0.521 57 N N 0.146 118.876 118.700 0.049 0.000 2.301 57 N HA -0.009 4.729 4.740 -0.004 0.000 0.247 57 N C -0.652 174.812 175.510 -0.077 0.000 1.347 57 N CA -0.382 52.651 53.050 -0.028 0.000 0.844 57 N CB 0.119 38.586 38.487 -0.033 0.000 1.332 57 N HN -0.127 8.253 8.380 -0.000 0.000 0.494 58 K N 0.763 121.105 120.400 -0.096 0.000 2.382 58 K HA 0.240 4.558 4.320 -0.004 0.000 0.275 58 K C -0.692 175.825 176.600 -0.137 0.000 1.009 58 K CA -0.221 55.963 56.287 -0.171 0.000 0.970 58 K CB 0.859 33.179 32.500 -0.300 0.000 0.934 58 K HN -0.086 8.164 8.250 -0.000 0.000 0.479 59 V N 6.697 126.549 119.914 -0.104 0.000 2.333 59 V HA 0.271 4.389 4.120 -0.004 0.000 0.274 59 V C 0.005 176.107 176.094 0.012 0.000 1.028 59 V CA -0.540 61.739 62.300 -0.035 0.000 0.851 59 V CB 0.708 32.526 31.823 -0.009 0.000 1.000 59 V HN 0.624 8.814 8.190 -0.000 0.000 0.456 60 I N 5.556 126.174 120.570 0.080 0.000 2.339 60 I HA 0.421 4.589 4.170 -0.004 0.000 0.290 60 I C -0.105 176.208 176.117 0.327 0.000 0.994 60 I CA -0.365 61.070 61.300 0.224 0.000 1.191 60 I CB 1.291 39.451 38.000 0.266 0.000 1.343 60 I HN 0.531 8.741 8.210 -0.000 0.000 0.458 61 N N 7.099 126.010 118.700 0.351 0.000 2.443 61 N HA 0.604 5.341 4.740 -0.004 0.000 0.295 61 N C -0.980 174.762 175.510 0.387 0.000 1.076 61 N CA -0.258 52.967 53.050 0.292 0.000 0.919 61 N CB 2.160 40.756 38.487 0.181 0.000 1.176 61 N HN 0.414 8.794 8.380 -0.000 0.000 0.487 62 F N -1.379 118.649 119.950 0.130 0.000 2.631 62 F HA 0.734 5.258 4.527 -0.004 0.000 0.308 62 F C -0.673 175.169 175.800 0.070 0.000 1.097 62 F CA -1.181 56.883 58.000 0.107 0.000 0.952 62 F CB 1.259 40.336 39.000 0.129 0.000 1.307 62 F HN 0.367 8.667 8.300 -0.000 0.000 0.450 63 S N 0.823 116.557 115.700 0.058 0.000 2.533 63 S HA 0.984 5.452 4.470 -0.004 0.000 0.271 63 S C -0.639 173.981 174.600 0.034 0.000 1.143 63 S CA -0.113 58.064 58.200 -0.038 0.000 0.891 63 S CB 1.335 64.505 63.200 -0.051 0.000 1.105 63 S HN 2.408 10.718 8.310 -0.000 0.000 0.468 64 G N 1.281 110.103 108.800 0.036 0.000 2.439 64 G HA2 0.450 4.407 3.960 -0.004 0.000 0.186 64 G HA3 0.450 4.407 3.960 -0.004 0.000 0.186 64 G C -1.340 173.604 174.900 0.073 0.000 1.260 64 G CA -0.228 44.891 45.100 0.032 0.000 1.020 64 G HN 1.276 9.566 8.290 -0.000 0.000 0.470 65 S N -0.918 114.834 115.700 0.086 0.000 2.548 65 S HA 0.724 5.191 4.470 -0.004 0.000 0.286 65 S C -1.889 172.847 174.600 0.227 0.000 1.098 65 S CA -0.367 57.906 58.200 0.123 0.000 0.930 65 S CB 2.076 65.311 63.200 0.059 0.000 1.070 65 S HN 1.215 9.525 8.310 -0.000 0.000 0.480 66 Y N 2.393 122.747 120.300 0.091 0.000 2.307 66 Y HA 0.440 4.988 4.550 -0.003 0.000 0.323 66 Y C -1.391 174.581 175.900 0.120 0.000 1.100 66 Y CA -0.764 57.422 58.100 0.144 0.000 1.140 66 Y CB 0.919 39.483 38.460 0.174 0.000 1.159 66 Y HN 0.682 8.962 8.280 -0.000 0.000 0.436 67 N N 8.760 127.295 118.700 -0.275 0.000 2.791 67 N HA 0.227 4.965 4.740 -0.004 0.000 0.265 67 N C -3.129 172.142 175.510 -0.398 0.000 1.580 67 N CA -1.092 51.785 53.050 -0.289 0.000 0.809 67 N CB 1.767 40.155 38.487 -0.165 0.000 1.178 67 N HN 0.419 8.799 8.380 -0.000 0.000 0.499 68 P HA 0.151 4.571 4.420 -0.000 0.000 0.274 68 P C -0.480 176.722 177.300 -0.163 0.000 1.237 68 P CA -0.313 62.636 63.100 -0.251 0.000 0.793 68 P CB 1.082 32.739 31.700 -0.072 0.000 0.977 69 N N 0.459 119.084 118.700 -0.126 0.000 2.716 69 N HA 0.473 5.211 4.740 -0.004 0.000 0.253 69 N C -0.106 175.428 175.510 0.041 0.000 1.170 69 N CA 0.164 53.180 53.050 -0.057 0.000 0.807 69 N CB 0.220 38.636 38.487 -0.120 0.000 1.183 69 N HN 0.819 9.199 8.380 -0.000 0.000 0.524 70 G N 1.893 110.758 108.800 0.109 0.000 2.337 70 G HA2 -0.150 3.808 3.960 -0.004 0.000 0.197 70 G HA3 -0.150 3.808 3.960 -0.004 0.000 0.197 70 G C -1.242 173.798 174.900 0.234 0.000 1.238 70 G CA -0.945 44.254 45.100 0.165 0.000 1.119 70 G HN 0.580 8.870 8.290 -0.000 0.000 0.514 71 N N 0.853 119.701 118.700 0.246 0.000 2.401 71 N HA 0.566 5.304 4.740 -0.004 0.000 0.255 71 N C -0.316 175.301 175.510 0.178 0.000 1.110 71 N CA 0.920 54.113 53.050 0.238 0.000 0.949 71 N CB 0.988 39.611 38.487 0.227 0.000 1.110 71 N HN 1.032 9.412 8.380 -0.000 0.000 0.490 72 S N 2.930 118.732 115.700 0.169 0.000 2.565 72 S HA 0.604 5.071 4.470 -0.004 0.000 0.269 72 S C -2.003 172.755 174.600 0.263 0.000 1.153 72 S CA -0.586 57.678 58.200 0.107 0.000 0.835 72 S CB 0.321 63.805 63.200 0.473 0.000 1.122 72 S HN 0.334 8.644 8.310 -0.000 0.000 0.462 73 Y N 1.133 121.642 120.300 0.347 0.000 2.536 73 Y HA 0.780 5.328 4.550 -0.003 0.000 0.347 73 Y C -0.596 175.363 175.900 0.099 0.000 1.000 73 Y CA -1.353 56.924 58.100 0.294 0.000 1.051 73 Y CB 1.380 39.993 38.460 0.254 0.000 1.259 73 Y HN 0.573 8.853 8.280 -0.000 0.000 0.468 74 L N 1.947 123.179 121.223 0.015 0.000 2.343 74 L HA 0.844 5.182 4.340 -0.004 0.000 0.278 74 L C -0.924 175.920 176.870 -0.044 0.000 0.996 74 L CA -0.073 54.609 54.840 -0.263 0.000 0.831 74 L CB 1.197 42.738 42.059 -0.863 0.000 1.232 74 L HN 0.649 8.879 8.230 -0.000 0.000 0.413 75 S N 2.691 118.412 115.700 0.035 0.000 2.579 75 S HA 0.603 5.070 4.470 -0.004 0.000 0.272 75 S C -1.080 173.560 174.600 0.067 0.000 1.141 75 S CA -0.742 57.526 58.200 0.114 0.000 0.843 75 S CB 1.970 65.377 63.200 0.347 0.000 1.122 75 S HN 0.327 8.637 8.310 -0.000 0.000 0.468 76 V N 2.923 122.881 119.914 0.072 0.000 2.508 76 V HA 0.324 4.441 4.120 -0.004 0.000 0.281 76 V C -0.826 175.384 176.094 0.194 0.000 1.041 76 V CA 0.174 62.564 62.300 0.150 0.000 1.016 76 V CB -0.117 31.786 31.823 0.133 0.000 0.984 76 V HN 0.787 8.977 8.190 -0.000 0.000 0.478 77 Y N 3.932 124.197 120.300 -0.057 0.000 2.492 77 Y HA 0.816 5.364 4.550 -0.004 0.000 0.346 77 Y C 0.071 175.654 175.900 -0.529 0.000 0.997 77 Y CA -0.040 57.807 58.100 -0.422 0.000 1.025 77 Y CB 2.137 40.384 38.460 -0.354 0.000 1.263 77 Y HN 0.789 9.069 8.280 -0.000 0.000 0.454 78 G N 2.244 109.862 108.800 -1.969 0.000 2.427 78 G HA2 0.397 4.355 3.960 -0.004 0.000 0.306 78 G HA3 0.397 4.355 3.960 -0.004 0.000 0.306 78 G C -2.517 171.278 174.900 -1.842 0.000 1.280 78 G CA -0.913 43.217 45.100 -1.616 0.000 0.837 78 G HN 0.555 8.845 8.290 -0.000 0.000 0.482 79 W N 0.172 120.836 121.300 -1.060 0.000 2.962 79 W HA 0.718 5.376 4.660 -0.003 0.000 0.341 79 W C 0.355 176.692 176.519 -0.303 0.000 1.155 79 W CA -0.384 56.550 57.345 -0.684 0.000 1.165 79 W CB 2.318 31.323 29.460 -0.759 0.000 1.435 79 W HN 0.806 8.986 8.180 -0.000 0.000 0.546 80 S N 0.893 116.608 115.700 0.026 0.000 2.648 80 S HA 0.852 5.319 4.470 -0.004 0.000 0.305 80 S C -0.723 173.860 174.600 -0.029 0.000 1.094 80 S CA -1.156 57.032 58.200 -0.020 0.000 0.983 80 S CB 2.033 65.201 63.200 -0.053 0.000 1.101 80 S HN 0.495 8.805 8.310 -0.000 0.000 0.514 81 R N 0.666 121.132 120.500 -0.056 0.000 2.664 81 R HA 0.514 4.852 4.340 -0.004 0.000 0.286 81 R C -0.691 175.584 176.300 -0.041 0.000 0.967 81 R CA -0.731 55.331 56.100 -0.063 0.000 0.933 81 R CB 0.623 30.873 30.300 -0.083 0.000 1.146 81 R HN 0.874 9.144 8.270 -0.000 0.000 0.468 82 N N 1.349 120.031 118.700 -0.030 0.000 2.671 82 N HA -0.106 4.632 4.740 -0.004 0.000 0.261 82 N C -2.537 172.973 175.510 0.000 0.000 1.053 82 N CA 0.109 53.151 53.050 -0.014 0.000 0.732 82 N CB -0.329 38.145 38.487 -0.022 0.000 0.887 82 N HN 0.404 8.784 8.380 -0.000 0.000 0.546 83 P HA 0.204 4.624 4.420 -0.000 0.000 0.281 83 P C -0.186 177.117 177.300 0.007 0.000 1.249 83 P CA -0.784 62.335 63.100 0.031 0.000 0.810 83 P CB 0.904 32.653 31.700 0.081 0.000 1.008 84 L N 3.700 124.928 121.223 0.009 0.000 2.500 84 L HA 0.206 4.544 4.340 -0.004 0.000 0.272 84 L C -0.504 176.367 176.870 0.001 0.000 1.149 84 L CA 0.656 55.491 54.840 -0.008 0.000 0.897 84 L CB -0.840 41.204 42.059 -0.026 0.000 1.178 84 L HN 0.177 8.407 8.230 -0.000 0.000 0.473 85 I N 4.766 125.295 120.570 -0.068 0.000 2.656 85 I HA 0.336 4.503 4.170 -0.004 0.000 0.292 85 I C -0.418 175.418 176.117 -0.468 0.000 1.144 85 I CA -0.506 60.643 61.300 -0.252 0.000 1.038 85 I CB 1.930 39.658 38.000 -0.453 0.000 1.244 85 I HN 0.595 8.805 8.210 -0.000 0.000 0.420 86 E N 6.034 125.785 120.200 -0.748 0.000 2.133 86 E HA 0.493 4.841 4.350 -0.004 0.000 0.274 86 E C -1.745 174.330 176.600 -0.874 0.000 0.930 86 E CA -0.435 55.123 56.400 -1.403 0.000 0.770 86 E CB 1.370 30.152 29.700 -1.529 0.000 1.104 86 E HN 0.470 8.830 8.360 -0.000 0.000 0.403 87 Y N 2.277 122.030 120.300 -0.911 0.000 2.570 87 Y HA 0.664 5.213 4.550 -0.003 0.000 0.345 87 Y C -1.822 173.797 175.900 -0.469 0.000 1.014 87 Y CA -1.229 56.556 58.100 -0.524 0.000 1.063 87 Y CB 1.041 39.424 38.460 -0.129 0.000 1.272 87 Y HN 0.310 8.590 8.280 -0.000 0.000 0.477 88 Y N 1.778 122.060 120.300 -0.030 0.000 2.433 88 Y HA 0.586 5.134 4.550 -0.004 0.000 0.337 88 Y C -1.092 175.021 175.900 0.356 0.000 1.026 88 Y CA -1.380 56.759 58.100 0.064 0.000 1.037 88 Y CB 2.204 40.519 38.460 -0.241 0.000 1.245 88 Y HN 0.605 8.885 8.280 -0.000 0.000 0.443 89 I N 4.211 125.046 120.570 0.441 0.000 2.428 89 I HA 0.332 4.500 4.170 -0.004 0.000 0.279 89 I C -0.920 175.372 176.117 0.293 0.000 1.040 89 I CA -0.734 60.713 61.300 0.245 0.000 1.171 89 I CB 0.882 38.767 38.000 -0.191 0.000 1.312 89 I HN 0.262 8.472 8.210 -0.000 0.000 0.470 90 V N 6.540 126.699 119.914 0.407 0.000 2.368 90 V HA 0.172 4.290 4.120 -0.004 0.000 0.266 90 V C 1.087 177.352 176.094 0.285 0.000 1.045 90 V CA -0.285 62.218 62.300 0.339 0.000 0.899 90 V CB 0.953 32.979 31.823 0.338 0.000 1.006 90 V HN 0.651 8.841 8.190 -0.000 0.000 0.470 91 E N 2.817 123.107 120.200 0.150 0.000 2.250 91 E HA 0.111 4.458 4.350 -0.004 0.000 0.192 91 E C 0.479 177.057 176.600 -0.036 0.000 0.986 91 E CA 0.392 56.859 56.400 0.112 0.000 0.849 91 E CB 0.349 30.094 29.700 0.075 0.000 0.797 91 E HN 0.654 9.014 8.360 -0.000 0.000 0.482 92 N N -0.729 117.872 118.700 -0.164 0.000 2.859 92 N HA 0.249 4.987 4.740 -0.004 0.000 0.250 92 N C -1.699 173.739 175.510 -0.121 0.000 1.341 92 N CA -0.487 52.286 53.050 -0.461 0.000 0.881 92 N CB 1.526 39.938 38.487 -0.126 0.000 1.516 92 N HN -0.107 8.273 8.380 -0.000 0.000 0.503 93 F N -1.484 118.417 119.950 -0.081 0.000 2.711 93 F HA 0.810 5.335 4.527 -0.004 0.000 0.313 93 F C 0.558 176.550 175.800 0.321 0.000 1.141 93 F CA -0.652 57.518 58.000 0.283 0.000 0.941 93 F CB 0.494 39.660 39.000 0.276 0.000 1.349 93 F HN 0.389 8.689 8.300 -0.000 0.000 0.464 94 G N 0.012 109.200 108.800 0.647 0.000 3.348 94 G HA2 0.322 4.280 3.960 -0.004 0.000 0.180 94 G HA3 0.322 4.280 3.960 -0.004 0.000 0.180 94 G C 0.711 175.902 174.900 0.485 0.000 1.915 94 G CA 0.281 45.639 45.100 0.429 0.000 0.937 94 G HN 1.027 9.317 8.290 -0.000 0.000 0.564 95 T N -3.031 111.745 114.554 0.369 0.000 3.085 95 T HA 0.094 4.442 4.350 -0.004 0.000 0.263 95 T C 0.175 175.096 174.700 0.369 0.000 1.127 95 T CA 0.658 62.949 62.100 0.318 0.000 1.103 95 T CB -0.153 68.849 68.868 0.224 0.000 0.921 95 T HN 0.217 8.457 8.240 -0.000 0.000 0.510 96 Y N 2.239 122.661 120.300 0.204 0.000 2.338 96 Y HA 0.515 5.063 4.550 -0.003 0.000 0.333 96 Y C -0.736 174.951 175.900 -0.353 0.000 0.968 96 Y CA -2.527 55.575 58.100 0.002 0.000 1.123 96 Y CB 1.085 39.556 38.460 0.018 0.000 1.165 96 Y HN -0.054 8.226 8.280 -0.000 0.000 0.452 97 N N 8.252 126.295 118.700 -1.094 0.000 2.431 97 N HA 0.135 4.873 4.740 -0.004 0.000 0.265 97 N C -1.983 172.505 175.510 -1.703 0.000 1.184 97 N CA -1.827 50.193 53.050 -1.716 0.000 0.943 97 N CB 1.454 39.338 38.487 -1.005 0.000 1.080 97 N HN 0.452 8.832 8.380 -0.000 0.000 0.477 98 P HA -0.072 4.348 4.420 -0.000 0.000 0.230 98 P C 0.672 177.063 177.300 -1.515 0.000 1.158 98 P CA 0.786 62.996 63.100 -1.483 0.000 0.769 98 P CB 0.104 30.696 31.700 -1.846 0.000 0.807 99 S N -2.362 112.502 115.700 -1.394 0.000 2.593 99 S HA 0.045 4.513 4.470 -0.004 0.000 0.217 99 S C 0.795 174.836 174.600 -0.933 0.000 0.966 99 S CA -0.202 57.173 58.200 -1.375 0.000 0.914 99 S CB -1.406 60.594 63.200 -1.999 0.000 0.776 99 S HN -0.018 8.292 8.310 -0.000 0.000 0.523 100 T N 2.702 116.787 114.554 -0.782 0.000 2.871 100 T HA 0.438 4.786 4.350 -0.004 0.000 0.296 100 T C 1.428 175.973 174.700 -0.259 0.000 0.998 100 T CA 0.920 62.761 62.100 -0.432 0.000 1.162 100 T CB 0.237 68.916 68.868 -0.315 0.000 0.947 100 T HN 0.892 9.132 8.240 -0.000 0.000 0.536 101 G N 2.196 110.891 108.800 -0.174 0.000 2.234 101 G HA2 -0.131 3.827 3.960 -0.004 0.000 0.260 101 G HA3 -0.131 3.827 3.960 -0.004 0.000 0.260 101 G C 0.298 175.138 174.900 -0.101 0.000 0.987 101 G CA -0.007 45.032 45.100 -0.102 0.000 0.625 101 G HN 1.170 9.460 8.290 -0.000 0.000 0.532 102 A N 0.136 122.849 122.820 -0.178 0.000 2.302 102 A HA 0.725 5.043 4.320 -0.004 0.000 0.285 102 A C 0.631 178.262 177.584 0.078 0.000 1.105 102 A CA 0.816 52.795 52.037 -0.096 0.000 0.816 102 A CB 0.525 19.378 19.000 -0.244 0.000 1.067 102 A HN 0.708 8.858 8.150 -0.000 0.000 0.489 103 T N 2.213 116.837 114.554 0.117 0.000 2.814 103 T HA 0.225 4.572 4.350 -0.004 0.000 0.297 103 T C 0.322 175.124 174.700 0.170 0.000 0.956 103 T CA 0.020 62.192 62.100 0.119 0.000 1.123 103 T CB 0.219 69.119 68.868 0.053 0.000 0.902 103 T HN 0.602 8.842 8.240 -0.000 0.000 0.528 104 K N 3.436 123.888 120.400 0.087 0.000 2.322 104 K HA 0.225 4.543 4.320 -0.004 0.000 0.283 104 K C 0.233 176.732 176.600 -0.168 0.000 1.042 104 K CA -0.267 55.902 56.287 -0.197 0.000 0.958 104 K CB 0.231 32.631 32.500 -0.167 0.000 0.984 104 K HN 0.570 8.820 8.250 -0.000 0.000 0.473 105 L N 3.519 124.600 121.223 -0.237 0.000 2.959 105 L HA 0.346 4.684 4.340 -0.004 0.000 0.259 105 L C 0.639 177.436 176.870 -0.122 0.000 1.185 105 L CA -0.148 54.605 54.840 -0.146 0.000 0.998 105 L CB 0.564 42.544 42.059 -0.133 0.000 1.337 105 L HN 1.040 9.270 8.230 -0.000 0.000 0.555 106 G N 0.231 108.944 108.800 -0.145 0.000 2.357 106 G HA2 0.055 4.013 3.960 -0.004 0.000 0.289 106 G HA3 0.055 4.013 3.960 -0.004 0.000 0.289 106 G C -1.590 173.273 174.900 -0.061 0.000 1.302 106 G CA -0.824 44.229 45.100 -0.078 0.000 0.936 106 G HN 0.039 8.329 8.290 -0.000 0.000 0.513 107 E N -1.653 118.544 120.200 -0.005 0.000 2.317 107 E HA 0.642 4.990 4.350 -0.004 0.000 0.270 107 E C -1.324 175.307 176.600 0.052 0.000 0.885 107 E CA -0.964 55.461 56.400 0.041 0.000 0.760 107 E CB 3.256 32.977 29.700 0.034 0.000 1.227 107 E HN 0.822 9.182 8.360 -0.000 0.000 0.434 108 V N 1.355 121.324 119.914 0.090 0.000 2.841 108 V HA 0.479 4.596 4.120 -0.004 0.000 0.310 108 V C -1.296 174.845 176.094 0.079 0.000 1.090 108 V CA -0.241 62.068 62.300 0.015 0.000 0.930 108 V CB 2.371 34.130 31.823 -0.106 0.000 1.014 108 V HN 0.738 8.928 8.190 -0.000 0.000 0.425 109 T N 4.704 119.271 114.554 0.022 0.000 2.767 109 T HA 0.667 5.015 4.350 -0.004 0.000 0.284 109 T C -0.586 174.118 174.700 0.007 0.000 0.973 109 T CA -0.209 61.935 62.100 0.073 0.000 0.996 109 T CB 1.188 70.082 68.868 0.042 0.000 0.927 109 T HN 0.816 9.056 8.240 -0.000 0.000 0.456 110 S N 2.325 118.092 115.700 0.112 0.000 2.543 110 S HA 0.378 4.846 4.470 -0.004 0.000 0.273 110 S C -1.148 173.572 174.600 0.200 0.000 1.152 110 S CA -0.688 57.531 58.200 0.032 0.000 0.910 110 S CB 0.791 63.845 63.200 -0.243 0.000 1.105 110 S HN 0.816 9.126 8.310 -0.000 0.000 0.465 111 D N 2.700 123.170 120.400 0.118 0.000 2.772 111 D HA -0.172 4.466 4.640 -0.004 0.000 0.233 111 D C 0.856 177.253 176.300 0.162 0.000 1.143 111 D CA 1.752 55.841 54.000 0.148 0.000 0.700 111 D CB -1.517 39.402 40.800 0.199 0.000 1.076 111 D HN 1.541 9.911 8.370 -0.000 0.000 0.430 112 G N -1.210 107.662 108.800 0.121 0.000 2.157 112 G HA2 -0.204 3.753 3.960 -0.004 0.000 0.239 112 G HA3 -0.204 3.753 3.960 -0.004 0.000 0.239 112 G C 0.152 175.104 174.900 0.087 0.000 0.982 112 G CA 0.710 45.864 45.100 0.089 0.000 0.650 112 G HN 0.966 9.256 8.290 -0.000 0.000 0.527 113 S N -1.692 114.083 115.700 0.125 0.000 2.570 113 S HA 0.670 5.138 4.470 -0.004 0.000 0.270 113 S C -0.023 174.649 174.600 0.120 0.000 1.149 113 S CA 0.069 58.303 58.200 0.056 0.000 0.837 113 S CB 1.933 65.089 63.200 -0.074 0.000 1.124 113 S HN 1.013 9.323 8.310 -0.000 0.000 0.465 114 V N 3.483 123.438 119.914 0.069 0.000 2.686 114 V HA 0.373 4.490 4.120 -0.004 0.000 0.295 114 V C -1.034 175.114 176.094 0.091 0.000 1.055 114 V CA 0.141 62.517 62.300 0.126 0.000 1.050 114 V CB 0.213 32.082 31.823 0.077 0.000 0.984 114 V HN 0.787 8.977 8.190 -0.000 0.000 0.482 115 Y N 1.210 121.594 120.300 0.140 0.000 2.446 115 Y HA 0.457 5.004 4.550 -0.005 0.000 0.345 115 Y C 0.190 176.187 175.900 0.163 0.000 0.984 115 Y CA -1.219 57.006 58.100 0.209 0.000 1.058 115 Y CB 1.405 40.056 38.460 0.318 0.000 1.220 115 Y HN 0.577 8.857 8.280 -0.000 0.000 0.455 116 D N 3.290 123.882 120.400 0.320 0.000 2.175 116 D HA 0.439 5.077 4.640 -0.004 0.000 0.248 116 D C -0.476 175.874 176.300 0.083 0.000 1.047 116 D CA -0.080 53.992 54.000 0.120 0.000 0.883 116 D CB 2.133 43.002 40.800 0.115 0.000 1.180 116 D HN 0.393 8.763 8.370 -0.000 0.000 0.438 117 I N 1.926 122.368 120.570 -0.214 0.000 2.412 117 I HA 0.332 4.500 4.170 -0.004 0.000 0.296 117 I C -0.888 174.931 176.117 -0.497 0.000 0.987 117 I CA -0.688 60.561 61.300 -0.086 0.000 1.180 117 I CB 0.932 38.970 38.000 0.063 0.000 1.340 117 I HN 0.235 8.445 8.210 -0.000 0.000 0.455 118 Y N 3.704 124.054 120.300 0.083 0.000 2.562 118 Y HA 0.586 5.134 4.550 -0.003 0.000 0.345 118 Y C -0.394 175.564 175.900 0.096 0.000 1.045 118 Y CA -0.965 57.164 58.100 0.049 0.000 1.028 118 Y CB 1.715 40.168 38.460 -0.011 0.000 1.297 118 Y HN 0.412 8.692 8.280 -0.000 0.000 0.463 119 R N 0.953 121.590 120.500 0.229 0.000 2.562 119 R HA 0.788 5.125 4.340 -0.004 0.000 0.298 119 R C -0.974 175.486 176.300 0.267 0.000 0.961 119 R CA -0.398 55.843 56.100 0.235 0.000 0.881 119 R CB 1.566 31.888 30.300 0.036 0.000 1.159 119 R HN 0.943 9.213 8.270 -0.000 0.000 0.450 120 T N -0.229 114.534 114.554 0.349 0.000 2.864 120 T HA 0.374 4.722 4.350 -0.004 0.000 0.289 120 T C -0.863 174.004 174.700 0.278 0.000 1.082 120 T CA -0.856 61.402 62.100 0.263 0.000 1.009 120 T CB 1.929 70.947 68.868 0.250 0.000 1.234 120 T HN 0.545 8.785 8.240 -0.000 0.000 0.526 121 Q N 0.062 119.946 119.800 0.141 0.000 2.323 121 Q HA 0.465 4.803 4.340 -0.004 0.000 0.271 121 Q C -1.223 174.667 176.000 -0.182 0.000 1.048 121 Q CA -0.928 54.864 55.803 -0.019 0.000 0.792 121 Q CB 1.468 30.196 28.738 -0.017 0.000 1.280 121 Q HN 0.498 8.768 8.270 -0.000 0.000 0.441 122 R N 2.215 122.442 120.500 -0.455 0.000 2.294 122 R HA 0.460 4.797 4.340 -0.004 0.000 0.319 122 R C -1.116 174.889 176.300 -0.491 0.000 0.984 122 R CA -0.566 55.205 56.100 -0.549 0.000 0.861 122 R CB 1.677 31.376 30.300 -1.000 0.000 1.104 122 R HN 0.388 8.658 8.270 -0.000 0.000 0.451 123 V N 3.823 123.585 119.914 -0.254 0.000 2.357 123 V HA 0.173 4.291 4.120 -0.004 0.000 0.284 123 V C 0.323 176.367 176.094 -0.084 0.000 1.018 123 V CA -0.862 61.343 62.300 -0.158 0.000 0.841 123 V CB 0.880 32.641 31.823 -0.103 0.000 0.991 123 V HN 0.892 9.082 8.190 -0.000 0.000 0.437 124 N N 3.760 122.434 118.700 -0.043 0.000 2.696 124 N HA -0.169 4.569 4.740 -0.004 0.000 0.256 124 N C -0.313 175.227 175.510 0.051 0.000 1.031 124 N CA 0.253 53.314 53.050 0.018 0.000 0.730 124 N CB -0.340 38.153 38.487 0.010 0.000 0.894 124 N HN 0.672 9.052 8.380 -0.000 0.000 0.544 125 Q N -0.549 119.312 119.800 0.101 0.000 2.359 125 Q HA 0.519 4.857 4.340 -0.004 0.000 0.275 125 Q C -2.458 173.697 176.000 0.257 0.000 1.082 125 Q CA -1.791 54.109 55.803 0.163 0.000 0.849 125 Q CB 1.265 30.080 28.738 0.129 0.000 1.377 125 Q HN 0.018 8.288 8.270 -0.000 0.000 0.452 126 P HA 0.059 4.479 4.420 -0.000 0.000 0.269 126 P C -0.602 176.749 177.300 0.084 0.000 1.209 126 P CA 0.280 63.442 63.100 0.103 0.000 0.776 126 P CB 0.733 32.465 31.700 0.054 0.000 0.876 127 S N 0.890 116.493 115.700 -0.162 0.000 2.688 127 S HA 0.344 4.812 4.470 -0.004 0.000 0.275 127 S C 0.959 175.122 174.600 -0.729 0.000 1.175 127 S CA -0.759 57.104 58.200 -0.562 0.000 0.818 127 S CB 0.166 62.975 63.200 -0.652 0.000 1.157 127 S HN 0.370 8.680 8.310 -0.000 0.000 0.482 128 I N -0.410 119.428 120.570 -1.220 0.000 2.850 128 I HA 0.092 4.260 4.170 -0.004 0.000 0.266 128 I C 1.255 177.078 176.117 -0.490 0.000 1.257 128 I CA 1.106 61.889 61.300 -0.861 0.000 1.465 128 I CB -0.754 36.608 38.000 -1.064 0.000 1.091 128 I HN 0.604 8.814 8.210 -0.000 0.000 0.467 129 I N -1.025 119.298 120.570 -0.411 0.000 4.081 129 I HA 0.745 4.912 4.170 -0.004 0.000 0.333 129 I C 0.636 176.655 176.117 -0.164 0.000 1.413 129 I CA -0.388 60.768 61.300 -0.239 0.000 1.110 129 I CB -0.076 37.804 38.000 -0.200 0.000 1.082 129 I HN 0.266 8.476 8.210 -0.000 0.000 0.402 130 G N 0.209 108.910 108.800 -0.166 0.000 2.434 130 G HA2 -0.075 3.883 3.960 -0.004 0.000 0.671 130 G HA3 -0.075 3.883 3.960 -0.004 0.000 0.671 130 G C -0.404 174.469 174.900 -0.046 0.000 1.280 130 G CA -0.551 44.498 45.100 -0.086 0.000 0.975 130 G HN 0.217 8.507 8.290 -0.000 0.000 0.510 131 T N 0.776 115.332 114.554 0.004 0.000 2.934 131 T HA 0.569 4.917 4.350 -0.004 0.000 0.306 131 T C 0.729 175.472 174.700 0.070 0.000 1.042 131 T CA 1.656 63.788 62.100 0.053 0.000 1.145 131 T CB 0.663 69.559 68.868 0.047 0.000 0.982 131 T HN 2.115 10.355 8.240 -0.000 0.000 0.544 132 A N 2.773 125.686 122.820 0.154 0.000 2.601 132 A HA 0.663 4.981 4.320 -0.004 0.000 0.291 132 A C -0.363 177.359 177.584 0.230 0.000 1.075 132 A CA -0.938 51.208 52.037 0.181 0.000 0.671 132 A CB 1.312 20.422 19.000 0.184 0.000 1.277 132 A HN 0.605 8.755 8.150 -0.000 0.000 0.417 133 T N 1.620 116.243 114.554 0.116 0.000 2.795 133 T HA 0.722 5.070 4.350 -0.004 0.000 0.282 133 T C -0.868 173.843 174.700 0.018 0.000 0.980 133 T CA 0.231 62.302 62.100 -0.048 0.000 1.012 133 T CB -0.109 68.697 68.868 -0.104 0.000 0.936 133 T HN 1.145 9.385 8.240 -0.000 0.000 0.457 134 F N 0.431 120.268 119.950 -0.188 0.000 2.693 134 F HA 0.665 5.189 4.527 -0.004 0.000 0.309 134 F C -1.752 173.879 175.800 -0.281 0.000 1.129 134 F CA -1.854 56.012 58.000 -0.223 0.000 0.948 134 F CB 0.650 39.617 39.000 -0.054 0.000 1.315 134 F HN 0.328 8.628 8.300 -0.000 0.000 0.447 135 Y N 1.219 121.571 120.300 0.088 0.000 2.316 135 Y HA 0.542 5.091 4.550 -0.003 0.000 0.324 135 Y C 0.040 175.887 175.900 -0.087 0.000 1.267 135 Y CA -0.493 57.596 58.100 -0.019 0.000 1.311 135 Y CB 0.987 39.466 38.460 0.031 0.000 1.267 135 Y HN 0.546 8.826 8.280 -0.000 0.000 0.516 136 Q N 1.326 121.184 119.800 0.096 0.000 2.337 136 Q HA 0.436 4.773 4.340 -0.004 0.000 0.266 136 Q C -1.721 174.233 176.000 -0.077 0.000 1.023 136 Q CA -0.976 54.748 55.803 -0.131 0.000 0.829 136 Q CB 2.070 30.777 28.738 -0.051 0.000 1.306 136 Q HN 0.474 8.744 8.270 -0.000 0.000 0.449 137 Y N 0.409 120.439 120.300 -0.449 0.000 2.409 137 Y HA 0.488 5.036 4.550 -0.003 0.000 0.339 137 Y C -0.883 174.553 175.900 -0.773 0.000 1.033 137 Y CA -1.728 55.962 58.100 -0.683 0.000 1.094 137 Y CB 1.000 38.742 38.460 -1.197 0.000 1.210 137 Y HN 0.558 8.838 8.280 -0.000 0.000 0.456 138 W N 0.450 121.657 121.300 -0.154 0.000 2.839 138 W HA 0.662 5.319 4.660 -0.005 0.000 0.334 138 W C -0.661 176.048 176.519 0.317 0.000 1.064 138 W CA -0.604 56.817 57.345 0.127 0.000 1.236 138 W CB 2.022 31.547 29.460 0.108 0.000 1.405 138 W HN 0.223 8.403 8.180 -0.000 0.000 0.478 139 S N 1.846 118.017 115.700 0.785 0.000 2.456 139 S HA 0.631 5.098 4.470 -0.004 0.000 0.316 139 S C -0.849 174.190 174.600 0.732 0.000 1.089 139 S CA -0.682 57.974 58.200 0.760 0.000 1.101 139 S CB 1.096 64.667 63.200 0.619 0.000 0.995 139 S HN 0.219 8.529 8.310 -0.000 0.000 0.468 140 V N 4.515 124.841 119.914 0.686 0.000 2.357 140 V HA 0.413 4.530 4.120 -0.004 0.000 0.284 140 V C 0.431 176.745 176.094 0.365 0.000 1.018 140 V CA -0.842 61.767 62.300 0.515 0.000 0.841 140 V CB 1.156 33.199 31.823 0.368 0.000 0.991 140 V HN 0.756 8.946 8.190 -0.000 0.000 0.437 141 R N 3.560 124.144 120.500 0.140 0.000 2.489 141 R HA 0.210 4.548 4.340 -0.004 0.000 0.287 141 R C 1.210 177.475 176.300 -0.057 0.000 1.053 141 R CA -0.087 55.735 56.100 -0.463 0.000 1.036 141 R CB 0.521 30.563 30.300 -0.430 0.000 0.966 141 R HN 0.636 8.906 8.270 -0.000 0.000 0.432 142 R N 1.913 122.333 120.500 -0.134 0.000 2.115 142 R HA 0.003 4.341 4.340 -0.004 0.000 0.226 142 R C 0.061 176.295 176.300 -0.109 0.000 1.100 142 R CA 0.795 56.864 56.100 -0.053 0.000 0.980 142 R CB 0.096 30.375 30.300 -0.037 0.000 0.875 142 R HN 0.556 8.826 8.270 -0.000 0.000 0.445 143 N N 1.374 120.026 118.700 -0.079 0.000 2.609 143 N HA 0.089 4.826 4.740 -0.004 0.000 0.234 143 N C -1.028 174.522 175.510 0.067 0.000 1.001 143 N CA -0.050 52.972 53.050 -0.047 0.000 0.926 143 N CB 0.809 39.279 38.487 -0.028 0.000 1.130 143 N HN 0.261 8.641 8.380 -0.000 0.000 0.510 144 H N 1.884 120.920 119.070 -0.058 0.000 2.790 144 H HA 0.213 4.767 4.556 -0.004 0.000 0.358 144 H C 0.669 176.020 175.328 0.038 0.000 1.103 144 H CA -0.078 55.948 56.048 -0.035 0.000 1.426 144 H CB 1.046 30.748 29.762 -0.100 0.000 1.424 144 H HN 0.497 8.777 8.280 -0.000 0.000 0.599 145 R N -0.347 120.279 120.500 0.210 0.000 2.733 145 R HA 0.295 4.633 4.340 -0.004 0.000 0.272 145 R C -0.906 175.554 176.300 0.267 0.000 1.029 145 R CA -0.687 55.534 56.100 0.201 0.000 0.888 145 R CB 0.894 31.298 30.300 0.173 0.000 1.251 145 R HN 0.596 8.866 8.270 -0.000 0.000 0.464 146 S N -0.785 115.070 115.700 0.259 0.000 2.900 146 S HA 0.326 4.793 4.470 -0.004 0.000 0.253 146 S C -0.461 174.294 174.600 0.258 0.000 1.029 146 S CA -0.396 58.014 58.200 0.351 0.000 1.096 146 S CB 0.501 63.876 63.200 0.293 0.000 1.067 146 S HN 0.482 8.792 8.310 -0.000 0.000 0.610 147 S N -0.156 115.508 115.700 -0.060 0.000 2.595 147 S HA 0.971 5.438 4.470 -0.004 0.000 0.281 147 S C -0.005 174.082 174.600 -0.855 0.000 1.117 147 S CA -0.257 57.601 58.200 -0.570 0.000 0.873 147 S CB 1.823 64.869 63.200 -0.257 0.000 1.108 147 S HN 1.030 9.340 8.310 -0.000 0.000 0.477 148 G N 0.675 108.797 108.800 -1.130 0.000 2.350 148 G HA2 0.415 4.372 3.960 -0.004 0.000 0.276 148 G HA3 0.415 4.372 3.960 -0.004 0.000 0.276 148 G C -1.537 173.158 174.900 -0.341 0.000 1.313 148 G CA -0.202 44.576 45.100 -0.537 0.000 0.903 148 G HN 0.855 9.145 8.290 -0.000 0.000 0.490 149 S N -1.476 114.239 115.700 0.026 0.000 2.538 149 S HA 0.699 5.166 4.470 -0.004 0.000 0.288 149 S C -1.011 173.737 174.600 0.247 0.000 1.108 149 S CA -0.465 57.828 58.200 0.156 0.000 0.971 149 S CB 1.738 64.987 63.200 0.081 0.000 1.041 149 S HN 1.259 9.569 8.310 -0.000 0.000 0.483 150 V N 5.248 125.314 119.914 0.254 0.000 2.378 150 V HA 0.430 4.548 4.120 -0.004 0.000 0.288 150 V C -0.158 175.967 176.094 0.051 0.000 1.016 150 V CA -0.989 61.415 62.300 0.174 0.000 0.840 150 V CB 1.456 33.367 31.823 0.148 0.000 0.994 150 V HN 0.866 9.056 8.190 -0.000 0.000 0.431 151 N N 3.503 122.205 118.700 0.004 0.000 2.555 151 N HA 0.047 4.785 4.740 -0.004 0.000 0.244 151 N C 1.472 176.865 175.510 -0.195 0.000 1.114 151 N CA 0.454 53.452 53.050 -0.087 0.000 0.963 151 N CB 1.420 39.852 38.487 -0.092 0.000 1.276 151 N HN 0.815 9.195 8.380 -0.000 0.000 0.510 152 T N 0.465 114.844 114.554 -0.292 0.000 2.833 152 T HA -0.135 4.213 4.350 -0.004 0.000 0.269 152 T C 1.760 175.931 174.700 -0.882 0.000 1.054 152 T CA 1.100 62.786 62.100 -0.690 0.000 1.135 152 T CB -0.211 68.210 68.868 -0.745 0.000 0.869 152 T HN 0.333 8.573 8.240 -0.000 0.000 0.466 153 A N 2.639 125.196 122.820 -0.440 0.000 1.940 153 A HA -0.149 4.169 4.320 -0.004 0.000 0.219 153 A C 2.390 179.759 177.584 -0.359 0.000 1.176 153 A CA 1.675 53.536 52.037 -0.294 0.000 0.631 153 A CB -0.815 18.092 19.000 -0.156 0.000 0.814 153 A HN 0.537 8.687 8.150 -0.000 0.000 0.446 154 N N -0.295 118.158 118.700 -0.411 0.000 2.104 154 N HA -0.146 4.592 4.740 -0.004 0.000 0.190 154 N C 1.576 176.695 175.510 -0.651 0.000 1.024 154 N CA 1.609 54.376 53.050 -0.472 0.000 0.853 154 N CB -0.614 37.580 38.487 -0.489 0.000 1.008 154 N HN 0.663 9.043 8.380 -0.000 0.000 0.424 155 H N -0.385 118.253 119.070 -0.720 0.000 2.307 155 H HA 0.002 4.557 4.556 -0.002 0.000 0.303 155 H C 1.770 176.373 175.328 -1.207 0.000 1.073 155 H CA 0.918 56.339 56.048 -1.045 0.000 1.338 155 H CB -0.405 28.592 29.762 -1.274 0.000 1.389 155 H HN 0.174 8.454 8.280 -0.000 0.000 0.503 156 F N 1.445 120.900 119.950 -0.825 0.000 2.171 156 F HA -0.109 4.416 4.527 -0.003 0.000 0.300 156 F C 2.195 177.812 175.800 -0.305 0.000 1.090 156 F CA 0.572 58.211 58.000 -0.601 0.000 1.293 156 F CB -1.151 37.613 39.000 -0.394 0.000 1.013 156 F HN 0.184 8.484 8.300 -0.000 0.000 0.486 157 N N 0.091 118.723 118.700 -0.114 0.000 2.120 157 N HA -0.130 4.607 4.740 -0.004 0.000 0.188 157 N C 2.052 177.517 175.510 -0.075 0.000 1.024 157 N CA 0.985 53.986 53.050 -0.081 0.000 0.852 157 N CB -0.292 38.131 38.487 -0.107 0.000 1.003 157 N HN 0.229 8.609 8.380 -0.000 0.000 0.424 158 A N 1.016 123.749 122.820 -0.145 0.000 1.902 158 A HA -0.143 4.174 4.320 -0.004 0.000 0.217 158 A C 1.568 179.212 177.584 0.100 0.000 1.181 158 A CA 1.047 53.050 52.037 -0.057 0.000 0.623 158 A CB -0.793 18.148 19.000 -0.098 0.000 0.818 158 A HN 0.383 8.533 8.150 -0.000 0.000 0.443 159 W N -0.266 120.998 121.300 -0.060 0.000 2.335 159 W HA -0.109 4.549 4.660 -0.002 0.000 0.311 159 W C 2.862 179.285 176.519 -0.160 0.000 1.213 159 W CA 0.832 58.095 57.345 -0.137 0.000 1.274 159 W CB -1.426 27.957 29.460 -0.128 0.000 1.148 159 W HN 0.431 8.611 8.180 -0.000 0.000 0.498 160 A N 0.064 122.962 122.820 0.131 0.000 1.908 160 A HA -0.289 4.029 4.320 -0.004 0.000 0.218 160 A C 2.082 179.671 177.584 0.008 0.000 1.181 160 A CA 2.181 54.245 52.037 0.044 0.000 0.627 160 A CB -1.204 17.817 19.000 0.035 0.000 0.818 160 A HN 0.451 8.601 8.150 -0.000 0.000 0.445 161 Q N -1.052 118.752 119.800 0.007 0.000 2.112 161 Q HA -0.258 4.080 4.340 -0.004 0.000 0.206 161 Q C 1.517 177.506 176.000 -0.018 0.000 0.987 161 Q CA 1.788 57.586 55.803 -0.009 0.000 0.858 161 Q CB -0.158 28.573 28.738 -0.013 0.000 0.905 161 Q HN 0.612 8.882 8.270 -0.000 0.000 0.420 162 Q N -1.118 118.672 119.800 -0.017 0.000 2.444 162 Q HA 0.090 4.428 4.340 -0.004 0.000 0.206 162 Q C 0.976 176.928 176.000 -0.081 0.000 0.948 162 Q CA 0.939 56.714 55.803 -0.047 0.000 0.946 162 Q CB 0.850 29.560 28.738 -0.047 0.000 1.027 162 Q HN 0.645 8.915 8.270 -0.000 0.000 0.513 163 G N 0.537 109.292 108.800 -0.076 0.000 2.144 163 G HA2 -0.221 3.737 3.960 -0.004 0.000 0.218 163 G HA3 -0.221 3.737 3.960 -0.004 0.000 0.218 163 G C -0.065 174.748 174.900 -0.146 0.000 0.988 163 G CA -0.220 44.827 45.100 -0.089 0.000 0.659 163 G HN 0.295 8.585 8.290 -0.000 0.000 0.522 164 L N 2.589 123.674 121.223 -0.231 0.000 2.314 164 L HA 0.403 4.741 4.340 -0.004 0.000 0.275 164 L C 0.326 177.084 176.870 -0.188 0.000 1.068 164 L CA -0.502 54.027 54.840 -0.518 0.000 0.894 164 L CB 1.028 42.397 42.059 -1.149 0.000 1.275 164 L HN 0.070 8.300 8.230 -0.000 0.000 0.432 165 T N 3.673 118.268 114.554 0.068 0.000 2.856 165 T HA 0.491 4.838 4.350 -0.004 0.000 0.292 165 T C 0.151 175.018 174.700 0.278 0.000 0.980 165 T CA -0.231 61.958 62.100 0.147 0.000 1.091 165 T CB 1.247 70.171 68.868 0.093 0.000 0.936 165 T HN 0.267 8.507 8.240 -0.000 0.000 0.503 166 L N 2.219 123.540 121.223 0.163 0.000 2.322 166 L HA 0.612 4.950 4.340 -0.004 0.000 0.279 166 L C 1.224 178.090 176.870 -0.006 0.000 1.036 166 L CA -0.644 54.232 54.840 0.060 0.000 0.807 166 L CB 1.337 43.334 42.059 -0.103 0.000 1.226 166 L HN 0.792 9.022 8.230 -0.000 0.000 0.433 167 G N 0.973 109.758 108.800 -0.024 0.000 2.783 167 G HA2 0.200 4.157 3.960 -0.004 0.000 0.182 167 G HA3 0.200 4.157 3.960 -0.004 0.000 0.182 167 G C -0.334 174.529 174.900 -0.061 0.000 1.516 167 G CA -0.274 44.806 45.100 -0.033 0.000 1.079 167 G HN 0.455 8.745 8.290 -0.000 0.000 0.573 168 T N 2.411 116.933 114.554 -0.054 0.000 2.814 168 T HA 0.326 4.674 4.350 -0.004 0.000 0.297 168 T C 0.540 175.199 174.700 -0.068 0.000 0.956 168 T CA -0.262 61.802 62.100 -0.060 0.000 1.123 168 T CB 0.655 69.493 68.868 -0.049 0.000 0.902 168 T HN 0.089 8.329 8.240 -0.000 0.000 0.528 169 M N 3.578 123.134 119.600 -0.074 0.000 2.239 169 M HA 0.168 4.646 4.480 -0.004 0.000 0.348 169 M C 0.824 177.088 176.300 -0.058 0.000 1.239 169 M CA 0.000 55.263 55.300 -0.061 0.000 1.114 169 M CB 0.117 32.687 32.600 -0.050 0.000 1.641 169 M HN 0.690 8.980 8.290 -0.000 0.000 0.453 170 D N 1.572 121.926 120.400 -0.077 0.000 2.390 170 D HA 0.198 4.835 4.640 -0.004 0.000 0.279 170 D C -0.689 175.551 176.300 -0.100 0.000 1.193 170 D CA -0.204 53.723 54.000 -0.123 0.000 1.112 170 D CB 0.588 41.267 40.800 -0.202 0.000 1.182 170 D HN 0.476 8.846 8.370 -0.000 0.000 0.569 171 Y N 0.362 120.587 120.300 -0.125 0.000 2.296 171 Y HA 0.346 4.893 4.550 -0.004 0.000 0.343 171 Y C -0.156 175.754 175.900 0.017 0.000 1.292 171 Y CA -0.573 57.441 58.100 -0.144 0.000 1.490 171 Y CB 0.207 38.524 38.460 -0.238 0.000 1.359 171 Y HN 0.163 8.443 8.280 -0.000 0.000 0.599 172 Q N 3.332 123.380 119.800 0.414 0.000 2.334 172 Q HA 0.559 4.897 4.340 -0.004 0.000 0.249 172 Q C -1.789 174.543 176.000 0.554 0.000 0.909 172 Q CA -0.555 55.491 55.803 0.405 0.000 0.823 172 Q CB 1.309 30.293 28.738 0.410 0.000 1.353 172 Q HN 0.902 9.172 8.270 -0.000 0.000 0.433 173 I N -0.518 120.328 120.570 0.459 0.000 3.042 173 I HA 0.701 4.869 4.170 -0.004 0.000 0.310 173 I C -0.922 175.389 176.117 0.322 0.000 1.117 173 I CA -1.351 60.180 61.300 0.386 0.000 1.003 173 I CB 2.164 40.333 38.000 0.282 0.000 1.228 173 I HN 0.186 8.396 8.210 -0.000 0.000 0.443 174 V N 3.063 123.137 119.914 0.267 0.000 2.385 174 V HA 0.684 4.802 4.120 -0.004 0.000 0.269 174 V C 0.518 176.739 176.094 0.212 0.000 1.043 174 V CA -0.112 62.322 62.300 0.222 0.000 0.906 174 V CB 0.595 32.560 31.823 0.236 0.000 0.995 174 V HN 0.864 9.054 8.190 -0.000 0.000 0.467 175 A N 4.999 127.926 122.820 0.178 0.000 2.365 175 A HA 0.827 5.145 4.320 -0.004 0.000 0.318 175 A C -0.743 176.944 177.584 0.171 0.000 1.091 175 A CA -0.580 51.533 52.037 0.126 0.000 0.763 175 A CB 1.740 20.748 19.000 0.014 0.000 1.248 175 A HN 0.579 8.729 8.150 -0.000 0.000 0.442 176 V N 2.301 122.369 119.914 0.257 0.000 2.383 176 V HA 0.361 4.478 4.120 -0.004 0.000 0.275 176 V C 0.238 176.340 176.094 0.012 0.000 1.036 176 V CA -0.188 62.247 62.300 0.226 0.000 0.889 176 V CB 0.952 33.017 31.823 0.403 0.000 0.985 176 V HN 0.971 9.161 8.190 -0.000 0.000 0.459 177 E N 3.438 123.554 120.200 -0.139 0.000 2.195 177 E HA 0.723 5.071 4.350 -0.004 0.000 0.271 177 E C -0.173 175.945 176.600 -0.804 0.000 0.923 177 E CA -0.520 55.589 56.400 -0.484 0.000 0.790 177 E CB 2.009 31.612 29.700 -0.161 0.000 1.155 177 E HN 0.775 9.135 8.360 -0.000 0.000 0.402 178 G N 2.190 110.087 108.800 -1.506 0.000 2.563 178 G HA2 0.417 4.375 3.960 -0.004 0.000 0.302 178 G HA3 0.417 4.375 3.960 -0.004 0.000 0.302 178 G C -2.111 172.531 174.900 -0.430 0.000 1.301 178 G CA -0.569 43.989 45.100 -0.904 0.000 0.965 178 G HN 0.478 8.768 8.290 -0.000 0.000 0.480 179 Y N 1.227 121.418 120.300 -0.182 0.000 2.445 179 Y HA 0.453 5.001 4.550 -0.004 0.000 0.332 179 Y C -0.281 175.750 175.900 0.218 0.000 1.037 179 Y CA -1.554 56.558 58.100 0.021 0.000 1.296 179 Y CB 0.346 38.827 38.460 0.035 0.000 1.099 179 Y HN 0.619 8.899 8.280 -0.000 0.000 0.496 180 F N 2.703 122.444 119.950 -0.349 0.000 2.797 180 F HA -0.256 4.269 4.527 -0.004 0.000 0.273 180 F C 0.308 176.119 175.800 0.018 0.000 1.020 180 F CA 1.340 59.194 58.000 -0.244 0.000 0.961 180 F CB -1.412 37.298 39.000 -0.483 0.000 1.020 180 F HN 0.483 8.783 8.300 -0.000 0.000 0.840 181 S N -2.005 113.862 115.700 0.279 0.000 2.819 181 S HA 0.937 5.404 4.470 -0.004 0.000 0.299 181 S C -0.315 174.502 174.600 0.361 0.000 1.192 181 S CA -0.412 57.987 58.200 0.333 0.000 0.847 181 S CB 2.614 66.053 63.200 0.399 0.000 1.224 181 S HN 0.181 8.491 8.310 -0.000 0.000 0.537 182 S N -1.337 114.409 115.700 0.077 0.000 2.632 182 S HA 1.021 5.488 4.470 -0.004 0.000 0.289 182 S C -0.109 173.824 174.600 -1.110 0.000 1.115 182 S CA -0.195 57.755 58.200 -0.417 0.000 0.889 182 S CB 1.441 64.498 63.200 -0.237 0.000 1.116 182 S HN 1.665 9.975 8.310 -0.000 0.000 0.486 183 G N 0.619 108.384 108.800 -1.725 0.000 2.315 183 G HA2 0.508 4.465 3.960 -0.004 0.000 0.294 183 G HA3 0.508 4.465 3.960 -0.004 0.000 0.294 183 G C -1.489 172.613 174.900 -1.330 0.000 1.300 183 G CA -0.079 43.984 45.100 -1.729 0.000 0.843 183 G HN 1.277 9.567 8.290 -0.000 0.000 0.527 184 S N -1.460 113.799 115.700 -0.736 0.000 2.579 184 S HA 1.020 5.488 4.470 -0.004 0.000 0.272 184 S C -0.464 174.212 174.600 0.127 0.000 1.141 184 S CA 0.193 58.296 58.200 -0.162 0.000 0.843 184 S CB 1.860 64.983 63.200 -0.128 0.000 1.122 184 S HN 2.597 10.907 8.310 -0.000 0.000 0.468 185 A N 0.554 123.538 122.820 0.274 0.000 2.604 185 A HA 0.886 5.203 4.320 -0.004 0.000 0.295 185 A C -0.809 176.813 177.584 0.064 0.000 1.067 185 A CA -0.538 51.659 52.037 0.267 0.000 0.683 185 A CB 1.515 20.826 19.000 0.517 0.000 1.281 185 A HN 1.609 9.759 8.150 -0.000 0.000 0.407 186 S N 1.452 117.134 115.700 -0.029 0.000 2.750 186 S HA 0.648 5.116 4.470 -0.004 0.000 0.276 186 S C -1.401 173.063 174.600 -0.226 0.000 1.165 186 S CA -0.474 57.621 58.200 -0.175 0.000 1.047 186 S CB 0.198 63.338 63.200 -0.101 0.000 1.056 186 S HN 0.627 8.937 8.310 -0.000 0.000 0.481 187 I N 3.750 124.024 120.570 -0.492 0.000 2.582 187 I HA 0.418 4.586 4.170 -0.004 0.000 0.292 187 I C -0.183 175.746 176.117 -0.314 0.000 1.066 187 I CA -0.442 60.630 61.300 -0.379 0.000 1.053 187 I CB 2.117 39.837 38.000 -0.468 0.000 1.241 187 I HN 0.507 8.717 8.210 -0.000 0.000 0.421 188 T N 5.072 119.570 114.554 -0.093 0.000 2.779 188 T HA 0.591 4.938 4.350 -0.004 0.000 0.280 188 T C -0.034 174.689 174.700 0.039 0.000 0.987 188 T CA -0.430 61.641 62.100 -0.050 0.000 0.966 188 T CB 1.987 70.830 68.868 -0.041 0.000 0.933 188 T HN 0.229 8.469 8.240 -0.000 0.000 0.442 189 V N 3.343 123.244 119.914 -0.021 0.000 2.612 189 V HA 0.860 4.978 4.120 -0.004 0.000 0.301 189 V C 0.258 176.326 176.094 -0.043 0.000 1.046 189 V CA -0.588 61.732 62.300 0.033 0.000 0.946 189 V CB 1.673 33.475 31.823 -0.035 0.000 1.003 189 V HN 1.112 9.302 8.190 -0.000 0.000 0.459 190 S N 0.000 115.849 115.700 0.248 0.000 2.498 190 S HA 0.000 4.468 4.470 -0.004 0.000 0.327 190 S CA 0.000 58.457 58.200 0.428 0.000 1.107 190 S CB 0.000 63.380 63.200 0.299 0.000 0.593 190 S HN 0.000 8.310 8.310 -0.000 0.000 0.517