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 2h32_1_H DATA FIRST_RESID 1 DATA SEQUENCE EVQLVQSGAE VKKPGESLKI ScKGSGYSFT SYWIGWVRQM PGKGLEWMGI DATA SEQUENCE IYPGDSDTRY SPSFQGQVTI SADKSISTAY LQWSSLKASD TAMYYcARHY DATA SEQUENCE YYYYGMDVWG QGTTVTVSSW SASAPTLFPL VSCXXXXXXX XXVAVGcLAQ DATA SEQUENCE DFLPDSITFS WKYKNNSDIS STRGFPSVLR GGKYAATSQV LLPSKDVXXX DATA SEQUENCE TDEHVVcKVQ HPNGNKEKNV PLP 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 E HA 0.000 4.350 4.350 0.000 0.000 0.291 1 E C 0.000 176.643 176.600 0.072 0.000 1.382 1 E CA 0.000 56.430 56.400 0.050 0.000 0.976 1 E CB 0.000 29.729 29.700 0.048 0.000 0.812 2 V N 4.627 124.584 119.914 0.071 0.000 2.408 2 V HA 0.282 4.404 4.120 0.003 0.000 0.267 2 V C 0.230 176.372 176.094 0.080 0.000 1.047 2 V CA 0.320 62.678 62.300 0.096 0.000 0.937 2 V CB 0.501 32.330 31.823 0.009 0.000 0.999 2 V HN 0.319 8.509 8.190 0.000 0.000 0.472 3 Q N 5.409 125.288 119.800 0.133 0.000 2.462 3 Q HA 0.720 5.061 4.340 0.003 0.000 0.285 3 Q C -2.131 173.946 176.000 0.128 0.000 1.035 3 Q CA -1.029 54.834 55.803 0.101 0.000 0.799 3 Q CB 2.636 31.418 28.738 0.073 0.000 1.452 3 Q HN 0.548 8.818 8.270 0.000 0.000 0.404 4 L N 1.900 123.177 121.223 0.090 0.000 2.343 4 L HA 0.597 4.938 4.340 0.003 0.000 0.278 4 L C -1.021 175.882 176.870 0.055 0.000 0.996 4 L CA -0.977 53.906 54.840 0.072 0.000 0.831 4 L CB 2.155 44.230 42.059 0.028 0.000 1.232 4 L HN 0.486 8.716 8.230 0.000 0.000 0.413 5 V N 3.283 123.219 119.914 0.036 0.000 2.513 5 V HA 0.430 4.552 4.120 0.003 0.000 0.299 5 V C -0.217 175.905 176.094 0.047 0.000 1.035 5 V CA -0.612 61.714 62.300 0.043 0.000 0.889 5 V CB 1.864 33.703 31.823 0.027 0.000 0.988 5 V HN 0.721 8.911 8.190 0.000 0.000 0.440 6 Q N 1.531 121.379 119.800 0.080 0.000 2.301 6 Q HA 0.537 4.879 4.340 0.003 0.000 0.267 6 Q C 0.119 176.184 176.000 0.109 0.000 1.035 6 Q CA -0.618 55.256 55.803 0.118 0.000 0.856 6 Q CB 2.203 31.039 28.738 0.164 0.000 1.337 6 Q HN 0.929 9.200 8.270 0.000 0.000 0.450 7 S N 0.032 115.810 115.700 0.130 0.000 2.598 7 S HA 0.283 4.754 4.470 0.003 0.000 0.256 7 S C 0.614 175.272 174.600 0.097 0.000 1.350 7 S CA -0.444 57.820 58.200 0.106 0.000 0.984 7 S CB 0.173 63.444 63.200 0.119 0.000 0.930 7 S HN 0.711 9.021 8.310 0.000 0.000 0.577 8 G N -0.521 108.325 108.800 0.076 0.000 2.651 8 G HA2 0.522 4.483 3.960 0.003 0.000 0.260 8 G HA3 0.522 4.483 3.960 0.003 0.000 0.260 8 G C 0.232 175.172 174.900 0.067 0.000 1.216 8 G CA -0.520 44.617 45.100 0.063 0.000 0.913 8 G HN 1.172 9.462 8.290 0.000 0.000 0.535 9 A N -0.471 122.381 122.820 0.053 0.000 2.429 9 A HA 0.543 4.864 4.320 0.003 0.000 0.242 9 A C 0.224 177.835 177.584 0.046 0.000 1.088 9 A CA 0.139 52.207 52.037 0.052 0.000 0.784 9 A CB 0.303 19.326 19.000 0.038 0.000 1.038 9 A HN 0.550 8.700 8.150 0.000 0.000 0.501 10 E N -0.319 119.908 120.200 0.044 0.000 2.331 10 E HA 0.533 4.884 4.350 0.003 0.000 0.275 10 E C -1.761 174.855 176.600 0.026 0.000 0.895 10 E CA -0.529 55.889 56.400 0.030 0.000 0.753 10 E CB 2.086 31.798 29.700 0.020 0.000 1.216 10 E HN 0.304 8.664 8.360 0.000 0.000 0.434 11 V N 3.129 123.057 119.914 0.025 0.000 2.569 11 V HA 0.476 4.598 4.120 0.003 0.000 0.301 11 V C -0.419 175.688 176.094 0.022 0.000 1.044 11 V CA -0.713 61.608 62.300 0.035 0.000 0.874 11 V CB 1.822 33.677 31.823 0.054 0.000 1.002 11 V HN 0.446 8.636 8.190 0.000 0.000 0.424 12 K N 3.168 123.574 120.400 0.009 0.000 2.536 12 K HA 0.603 4.925 4.320 0.003 0.000 0.269 12 K C -1.184 175.412 176.600 -0.005 0.000 0.965 12 K CA -0.953 55.330 56.287 -0.007 0.000 0.860 12 K CB 3.255 35.730 32.500 -0.041 0.000 1.423 12 K HN 0.530 8.780 8.250 0.000 0.000 0.438 13 K N 1.484 121.879 120.400 -0.008 0.000 2.098 13 K HA 0.397 4.718 4.320 0.003 0.000 0.258 13 K C -2.455 174.125 176.600 -0.034 0.000 0.973 13 K CA -1.876 54.403 56.287 -0.014 0.000 0.898 13 K CB 0.414 32.907 32.500 -0.011 0.000 1.057 13 K HN 0.173 8.423 8.250 0.000 0.000 0.447 14 P HA -0.111 4.309 4.420 0.000 0.000 0.266 14 P C 0.664 177.942 177.300 -0.037 0.000 1.193 14 P CA 1.021 64.093 63.100 -0.047 0.000 0.770 14 P CB 0.430 32.099 31.700 -0.052 0.000 0.836 15 G N 0.720 109.503 108.800 -0.029 0.000 2.267 15 G HA2 -0.252 3.710 3.960 0.003 0.000 0.257 15 G HA3 -0.252 3.710 3.960 0.003 0.000 0.257 15 G C 0.275 175.169 174.900 -0.009 0.000 0.998 15 G CA -0.145 44.946 45.100 -0.016 0.000 0.620 15 G HN 0.565 8.855 8.290 0.000 0.000 0.529 16 E N 0.923 121.113 120.200 -0.016 0.000 2.392 16 E HA 0.454 4.805 4.350 0.003 0.000 0.256 16 E C 0.678 177.282 176.600 0.007 0.000 1.145 16 E CA 0.532 56.928 56.400 -0.008 0.000 0.929 16 E CB 0.872 30.564 29.700 -0.014 0.000 0.998 16 E HN 0.551 8.911 8.360 0.000 0.000 0.442 17 S N 1.745 117.457 115.700 0.020 0.000 2.549 17 S HA 0.634 5.105 4.470 0.003 0.000 0.297 17 S C -0.611 174.025 174.600 0.060 0.000 1.115 17 S CA -0.895 57.336 58.200 0.052 0.000 1.059 17 S CB 1.030 64.252 63.200 0.037 0.000 1.046 17 S HN 0.428 8.738 8.310 0.000 0.000 0.506 18 L N 1.636 122.935 121.223 0.127 0.000 2.445 18 L HA 0.656 4.998 4.340 0.003 0.000 0.262 18 L C -1.353 175.622 176.870 0.175 0.000 0.974 18 L CA -0.546 54.379 54.840 0.140 0.000 0.822 18 L CB 2.125 44.258 42.059 0.124 0.000 1.339 18 L HN 0.791 9.021 8.230 0.000 0.000 0.409 19 K N 5.775 126.239 120.400 0.107 0.000 2.613 19 K HA 0.440 4.762 4.320 0.003 0.000 0.248 19 K C -1.149 175.512 176.600 0.103 0.000 0.959 19 K CA -0.405 55.920 56.287 0.064 0.000 0.855 19 K CB 1.736 34.233 32.500 -0.004 0.000 1.143 19 K HN 0.687 8.937 8.250 0.000 0.000 0.437 20 I N 0.018 120.646 120.570 0.096 0.000 2.822 20 I HA 0.633 4.805 4.170 0.003 0.000 0.312 20 I C -0.164 176.067 176.117 0.190 0.000 1.011 20 I CA -0.526 60.852 61.300 0.129 0.000 1.105 20 I CB 2.081 40.149 38.000 0.114 0.000 1.291 20 I HN 0.537 8.747 8.210 0.000 0.000 0.474 21 S N 3.199 119.036 115.700 0.229 0.000 2.627 21 S HA 0.662 5.134 4.470 0.003 0.000 0.283 21 S C -1.032 173.687 174.600 0.199 0.000 1.127 21 S CA -0.664 57.631 58.200 0.158 0.000 0.863 21 S CB 1.617 64.864 63.200 0.079 0.000 1.121 21 S HN 1.088 9.398 8.310 0.000 0.000 0.479 22 c N 3.103 121.742 118.600 0.066 0.000 2.660 22 c HA 0.658 5.229 4.570 0.003 0.000 0.336 22 c C -0.703 173.337 174.090 -0.082 0.000 1.058 22 c CA -0.495 55.855 56.329 0.036 0.000 1.368 22 c CB -0.310 42.173 42.510 -0.046 0.000 1.884 22 c HN 1.051 9.281 8.230 0.000 0.000 0.454 23 K N 3.936 124.277 120.400 -0.098 0.000 2.156 23 K HA 0.673 4.995 4.320 0.003 0.000 0.271 23 K C 0.278 176.798 176.600 -0.134 0.000 0.995 23 K CA -0.044 56.127 56.287 -0.194 0.000 0.890 23 K CB 1.451 33.840 32.500 -0.185 0.000 1.073 23 K HN 0.910 9.160 8.250 0.000 0.000 0.454 24 G N 1.202 109.856 108.800 -0.243 0.000 2.417 24 G HA2 0.547 4.509 3.960 0.003 0.000 0.334 24 G HA3 0.547 4.509 3.960 0.003 0.000 0.334 24 G C -1.237 173.552 174.900 -0.185 0.000 1.150 24 G CA -0.618 44.455 45.100 -0.046 0.000 0.923 24 G HN 0.653 8.943 8.290 0.000 0.000 0.485 25 S N -1.231 114.447 115.700 -0.037 0.000 2.570 25 S HA 0.711 5.183 4.470 0.003 0.000 0.270 25 S C 0.447 175.089 174.600 0.071 0.000 1.149 25 S CA 0.018 58.176 58.200 -0.069 0.000 0.837 25 S CB 1.606 64.778 63.200 -0.047 0.000 1.124 25 S HN 2.394 10.704 8.310 0.000 0.000 0.465 26 G N 0.011 108.831 108.800 0.033 0.000 2.175 26 G HA2 -0.124 3.838 3.960 0.003 0.000 0.244 26 G HA3 -0.124 3.838 3.960 0.003 0.000 0.244 26 G C -0.315 174.710 174.900 0.208 0.000 0.982 26 G CA 0.863 46.033 45.100 0.116 0.000 0.641 26 G HN 2.040 10.330 8.290 0.000 0.000 0.527 27 Y N -2.307 118.007 120.300 0.023 0.000 2.788 27 Y HA 0.745 5.297 4.550 0.003 0.000 0.335 27 Y C -0.030 175.927 175.900 0.094 0.000 1.287 27 Y CA -0.733 57.389 58.100 0.037 0.000 1.068 27 Y CB 0.692 39.125 38.460 -0.045 0.000 1.340 27 Y HN 0.587 8.867 8.280 0.000 0.000 0.449 28 S N 2.065 117.901 115.700 0.228 0.000 2.701 28 S HA 0.115 4.586 4.470 0.003 0.000 0.317 28 S C 0.657 175.328 174.600 0.119 0.000 1.149 28 S CA -0.492 57.787 58.200 0.131 0.000 1.052 28 S CB -1.060 62.254 63.200 0.190 0.000 1.257 28 S HN 0.638 8.948 8.310 0.000 0.000 0.532 29 F N 4.800 124.522 119.950 -0.379 0.000 2.063 29 F HA -0.182 4.346 4.527 0.002 0.000 0.298 29 F C 2.688 178.401 175.800 -0.144 0.000 1.109 29 F CA 2.544 60.333 58.000 -0.353 0.000 1.212 29 F CB -0.952 37.822 39.000 -0.377 0.000 0.973 29 F HN 0.684 8.984 8.300 0.000 0.000 0.480 30 T N -3.328 111.155 114.554 -0.117 0.000 3.155 30 T HA -0.051 4.300 4.350 0.003 0.000 0.264 30 T C 1.667 176.073 174.700 -0.490 0.000 1.160 30 T CA 1.127 63.022 62.100 -0.342 0.000 1.075 30 T CB -0.485 68.274 68.868 -0.182 0.000 0.921 30 T HN 0.210 8.450 8.240 0.000 0.000 0.533 31 S N -0.368 115.193 115.700 -0.232 0.000 2.524 31 S HA 0.344 4.816 4.470 0.003 0.000 0.215 31 S C -0.629 173.787 174.600 -0.307 0.000 0.986 31 S CA -0.554 57.516 58.200 -0.216 0.000 0.911 31 S CB 0.035 63.163 63.200 -0.121 0.000 0.805 31 S HN 0.645 8.955 8.310 0.000 0.000 0.501 32 Y N -0.690 119.511 120.300 -0.165 0.000 2.477 32 Y HA 0.421 4.972 4.550 0.003 0.000 0.347 32 Y C -0.748 175.093 175.900 -0.097 0.000 0.981 32 Y CA -1.668 56.438 58.100 0.009 0.000 1.033 32 Y CB 0.824 39.307 38.460 0.038 0.000 1.245 32 Y HN 0.117 8.397 8.280 0.000 0.000 0.455 33 W N 3.976 125.430 121.300 0.257 0.000 2.158 33 W HA 0.378 5.040 4.660 0.002 0.000 0.339 33 W C -0.594 175.863 176.519 -0.103 0.000 1.294 33 W CA -0.035 57.394 57.345 0.140 0.000 1.231 33 W CB 0.370 30.003 29.460 0.289 0.000 1.143 33 W HN 0.101 8.281 8.180 0.000 0.000 0.571 34 I N 3.312 123.876 120.570 -0.010 0.000 2.410 34 I HA 0.357 4.528 4.170 0.003 0.000 0.286 34 I C 0.600 176.544 176.117 -0.287 0.000 1.009 34 I CA -0.480 60.688 61.300 -0.220 0.000 1.111 34 I CB 0.568 38.395 38.000 -0.289 0.000 1.262 34 I HN 0.519 8.729 8.210 0.000 0.000 0.443 35 G N 4.839 113.368 108.800 -0.451 0.000 2.491 35 G HA2 0.564 4.525 3.960 0.003 0.000 0.327 35 G HA3 0.564 4.525 3.960 0.003 0.000 0.327 35 G C -1.991 172.508 174.900 -0.670 0.000 1.189 35 G CA -0.415 44.377 45.100 -0.514 0.000 0.956 35 G HN 0.515 8.805 8.290 0.000 0.000 0.491 36 W N -0.073 120.968 121.300 -0.432 0.000 2.600 36 W HA 0.535 5.196 4.660 0.002 0.000 0.325 36 W C -0.707 175.661 176.519 -0.253 0.000 1.034 36 W CA -0.610 56.576 57.345 -0.266 0.000 1.226 36 W CB 2.482 31.792 29.460 -0.251 0.000 1.379 36 W HN 0.269 8.449 8.180 0.000 0.000 0.466 37 V N 4.475 124.517 119.914 0.213 0.000 2.495 37 V HA 0.510 4.632 4.120 0.003 0.000 0.298 37 V C 0.040 176.374 176.094 0.399 0.000 1.031 37 V CA -1.265 61.198 62.300 0.273 0.000 0.871 37 V CB 1.488 33.554 31.823 0.404 0.000 0.988 37 V HN 0.483 8.673 8.190 0.000 0.000 0.432 38 R N 3.916 124.580 120.500 0.273 0.000 2.407 38 R HA 0.534 4.876 4.340 0.003 0.000 0.303 38 R C -0.780 175.609 176.300 0.148 0.000 0.981 38 R CA -0.475 55.714 56.100 0.147 0.000 0.905 38 R CB 1.426 31.852 30.300 0.209 0.000 1.099 38 R HN 0.847 9.117 8.270 0.000 0.000 0.459 39 Q N 5.638 125.452 119.800 0.023 0.000 2.533 39 Q HA 0.245 4.586 4.340 0.003 0.000 0.251 39 Q C -0.784 175.212 176.000 -0.006 0.000 0.966 39 Q CA -0.374 55.487 55.803 0.097 0.000 0.714 39 Q CB 1.276 30.166 28.738 0.253 0.000 1.284 39 Q HN 0.627 8.897 8.270 0.000 0.000 0.478 40 M N 3.452 123.062 119.600 0.016 0.000 2.240 40 M HA 0.226 4.707 4.480 0.003 0.000 0.317 40 M C -2.028 174.288 176.300 0.027 0.000 1.087 40 M CA -1.343 53.962 55.300 0.009 0.000 1.176 40 M CB 0.216 32.843 32.600 0.045 0.000 1.439 40 M HN 0.405 8.695 8.290 0.000 0.000 0.452 41 P HA 0.072 4.492 4.420 0.000 0.000 0.266 41 P C 0.428 177.750 177.300 0.038 0.000 1.215 41 P CA 0.722 63.842 63.100 0.034 0.000 0.763 41 P CB 0.262 31.980 31.700 0.030 0.000 0.806 42 G N 1.545 110.372 108.800 0.044 0.000 2.136 42 G HA2 -0.199 3.763 3.960 0.003 0.000 0.242 42 G HA3 -0.199 3.763 3.960 0.003 0.000 0.242 42 G C 0.128 175.052 174.900 0.040 0.000 0.989 42 G CA -0.108 45.016 45.100 0.040 0.000 0.682 42 G HN 0.482 8.772 8.290 0.000 0.000 0.522 43 K N -0.432 119.997 120.400 0.048 0.000 2.349 43 K HA 0.772 5.093 4.320 0.003 0.000 0.243 43 K C 0.865 177.502 176.600 0.060 0.000 1.058 43 K CA -0.148 56.171 56.287 0.053 0.000 0.871 43 K CB 0.829 33.366 32.500 0.062 0.000 1.337 43 K HN 0.376 8.626 8.250 0.000 0.000 0.469 44 G N 0.067 108.907 108.800 0.067 0.000 2.525 44 G HA2 0.491 4.453 3.960 0.003 0.000 0.287 44 G HA3 0.491 4.453 3.960 0.003 0.000 0.287 44 G C -0.380 174.584 174.900 0.107 0.000 1.350 44 G CA -0.744 44.397 45.100 0.069 0.000 1.039 44 G HN 0.279 8.569 8.290 0.000 0.000 0.513 45 L N -0.265 121.025 121.223 0.112 0.000 2.350 45 L HA 0.423 4.765 4.340 0.003 0.000 0.275 45 L C 0.119 177.126 176.870 0.228 0.000 1.099 45 L CA -0.104 54.840 54.840 0.173 0.000 0.808 45 L CB 1.198 43.350 42.059 0.155 0.000 1.149 45 L HN 0.468 8.698 8.230 0.000 0.000 0.442 46 E N 1.655 122.027 120.200 0.286 0.000 2.216 46 E HA 0.144 4.495 4.350 0.003 0.000 0.260 46 E C -1.526 175.291 176.600 0.363 0.000 0.880 46 E CA -0.671 55.943 56.400 0.356 0.000 0.765 46 E CB 1.570 31.532 29.700 0.437 0.000 1.174 46 E HN 0.405 8.765 8.360 0.000 0.000 0.417 47 W N 5.703 127.113 121.300 0.183 0.000 2.381 47 W HA 0.063 4.724 4.660 0.002 0.000 0.321 47 W C 0.390 176.965 176.519 0.092 0.000 1.407 47 W CA 0.390 57.801 57.345 0.110 0.000 1.274 47 W CB 0.464 29.968 29.460 0.074 0.000 1.310 47 W HN 0.701 8.881 8.180 0.000 0.000 0.551 48 M N 3.980 123.350 119.600 -0.383 0.000 2.556 48 M HA 0.322 4.803 4.480 0.003 0.000 0.259 48 M C 1.116 177.097 176.300 -0.531 0.000 1.175 48 M CA 1.165 56.114 55.300 -0.585 0.000 1.202 48 M CB 0.030 32.170 32.600 -0.767 0.000 1.298 48 M HN 0.482 8.772 8.290 0.000 0.000 0.492 49 G N -0.193 108.026 108.800 -0.967 0.000 2.550 49 G HA2 0.640 4.602 3.960 0.003 0.000 0.293 49 G HA3 0.640 4.602 3.960 0.003 0.000 0.293 49 G C -2.168 172.170 174.900 -0.937 0.000 1.402 49 G CA -0.520 44.025 45.100 -0.925 0.000 0.784 49 G HN 0.175 8.465 8.290 0.000 0.000 0.482 50 I N -0.384 119.895 120.570 -0.486 0.000 2.827 50 I HA 0.767 4.938 4.170 0.003 0.000 0.298 50 I C -1.671 174.528 176.117 0.137 0.000 1.235 50 I CA -1.116 60.112 61.300 -0.120 0.000 1.021 50 I CB 2.290 40.355 38.000 0.108 0.000 1.259 50 I HN 0.629 8.839 8.210 0.000 0.000 0.427 51 I N 5.619 126.334 120.570 0.242 0.000 2.722 51 I HA 0.370 4.541 4.170 0.003 0.000 0.295 51 I C -1.990 174.113 176.117 -0.024 0.000 1.161 51 I CA -0.635 60.767 61.300 0.170 0.000 1.032 51 I CB 2.121 40.145 38.000 0.041 0.000 1.244 51 I HN 0.621 8.831 8.210 0.000 0.000 0.421 52 Y N 9.121 129.079 120.300 -0.569 0.000 2.595 52 Y HA 0.491 5.043 4.550 0.002 0.000 0.336 52 Y C -2.119 173.465 175.900 -0.528 0.000 0.996 52 Y CA -2.319 55.175 58.100 -1.010 0.000 1.260 52 Y CB 1.026 38.417 38.460 -1.783 0.000 1.108 52 Y HN 0.410 8.690 8.280 0.000 0.000 0.509 53 P HA -0.139 4.281 4.420 0.000 0.000 0.222 53 P C 1.484 178.530 177.300 -0.423 0.000 1.142 53 P CA 1.809 64.618 63.100 -0.484 0.000 0.788 53 P CB 0.301 31.622 31.700 -0.632 0.000 0.767 54 G N 0.790 109.146 108.800 -0.740 0.000 2.421 54 G HA2 -0.222 3.739 3.960 0.003 0.000 0.216 54 G HA3 -0.222 3.739 3.960 0.003 0.000 0.216 54 G C 0.878 175.718 174.900 -0.101 0.000 1.171 54 G CA 1.387 46.262 45.100 -0.375 0.000 0.775 54 G HN 0.366 8.656 8.290 0.000 0.000 0.543 55 D N -3.048 117.343 120.400 -0.015 0.000 2.514 55 D HA 0.177 4.818 4.640 0.003 0.000 0.225 55 D C 1.007 177.314 176.300 0.011 0.000 1.159 55 D CA 0.620 54.635 54.000 0.025 0.000 0.823 55 D CB -0.000 40.839 40.800 0.065 0.000 1.097 55 D HN 0.087 8.457 8.370 0.000 0.000 0.519 56 S N 0.115 115.801 115.700 -0.025 0.000 3.361 56 S HA -0.150 4.322 4.470 0.003 0.000 0.288 56 S C -0.579 174.038 174.600 0.027 0.000 1.269 56 S CA 0.406 58.599 58.200 -0.011 0.000 0.976 56 S CB -1.698 61.513 63.200 0.019 0.000 1.162 56 S HN 0.452 8.762 8.310 0.000 0.000 0.643 57 D N 2.741 123.164 120.400 0.038 0.000 2.662 57 D HA 0.141 4.782 4.640 0.003 0.000 0.237 57 D C 0.439 176.836 176.300 0.162 0.000 1.154 57 D CA 1.146 55.214 54.000 0.114 0.000 0.861 57 D CB 0.373 41.273 40.800 0.167 0.000 1.146 57 D HN 0.339 8.709 8.370 0.000 0.000 0.518 58 T N 4.258 118.894 114.554 0.136 0.000 2.829 58 T HA 0.589 4.940 4.350 0.003 0.000 0.280 58 T C 0.375 175.075 174.700 -0.000 0.000 0.999 58 T CA -0.999 61.125 62.100 0.040 0.000 0.983 58 T CB 1.950 70.793 68.868 -0.042 0.000 0.968 58 T HN 0.168 8.408 8.240 0.000 0.000 0.446 59 R N 1.759 122.188 120.500 -0.118 0.000 2.795 59 R HA 0.606 4.948 4.340 0.003 0.000 0.275 59 R C -1.611 174.517 176.300 -0.287 0.000 0.981 59 R CA -0.919 55.160 56.100 -0.036 0.000 0.917 59 R CB 1.893 32.304 30.300 0.185 0.000 1.202 59 R HN 0.600 8.870 8.270 0.000 0.000 0.469 60 Y N -0.755 119.669 120.300 0.207 0.000 2.545 60 Y HA 0.311 4.862 4.550 0.002 0.000 0.348 60 Y C 0.478 176.597 175.900 0.365 0.000 1.002 60 Y CA -0.719 57.492 58.100 0.186 0.000 1.039 60 Y CB 2.360 40.901 38.460 0.135 0.000 1.271 60 Y HN 0.536 8.816 8.280 0.000 0.000 0.467 61 S N 2.228 118.300 115.700 0.621 0.000 2.565 61 S HA 0.237 4.709 4.470 0.003 0.000 0.274 61 S C -1.836 173.027 174.600 0.438 0.000 1.309 61 S CA -1.404 57.182 58.200 0.643 0.000 1.043 61 S CB 0.907 64.600 63.200 0.820 0.000 0.939 61 S HN 0.448 8.758 8.310 0.000 0.000 0.504 62 P HA -0.128 4.292 4.420 0.000 0.000 0.216 62 P C 0.967 178.332 177.300 0.109 0.000 1.154 62 P CA 1.472 64.676 63.100 0.174 0.000 0.865 62 P CB -0.032 31.744 31.700 0.126 0.000 0.789 63 S N -3.386 112.353 115.700 0.065 0.000 2.679 63 S HA 0.206 4.678 4.470 0.003 0.000 0.233 63 S C 0.833 175.216 174.600 -0.361 0.000 0.951 63 S CA -0.152 57.963 58.200 -0.142 0.000 0.973 63 S CB -1.246 61.825 63.200 -0.215 0.000 0.778 63 S HN 0.066 8.376 8.310 0.000 0.000 0.477 64 F N 1.253 121.277 119.950 0.122 0.000 2.880 64 F HA 0.267 4.795 4.527 0.002 0.000 0.346 64 F C 0.933 176.723 175.800 -0.017 0.000 1.054 64 F CA -0.890 57.165 58.000 0.092 0.000 1.151 64 F CB 0.317 39.408 39.000 0.150 0.000 1.066 64 F HN 0.242 8.542 8.300 0.000 0.000 0.566 65 Q N 0.902 120.779 119.800 0.129 0.000 2.300 65 Q HA 0.308 4.649 4.340 0.003 0.000 0.280 65 Q C 1.075 177.000 176.000 -0.125 0.000 1.033 65 Q CA 0.895 56.651 55.803 -0.079 0.000 0.903 65 Q CB 0.886 29.640 28.738 0.027 0.000 1.195 65 Q HN 0.454 8.724 8.270 0.000 0.000 0.386 66 G N 2.594 111.240 108.800 -0.256 0.000 2.184 66 G HA2 -0.339 3.623 3.960 0.003 0.000 0.264 66 G HA3 -0.339 3.623 3.960 0.003 0.000 0.264 66 G C 0.672 175.508 174.900 -0.107 0.000 0.975 66 G CA 0.686 45.688 45.100 -0.162 0.000 0.642 66 G HN 0.606 8.896 8.290 0.000 0.000 0.536 67 Q N -0.875 118.875 119.800 -0.084 0.000 2.394 67 Q HA 0.491 4.832 4.340 0.003 0.000 0.218 67 Q C 1.255 177.215 176.000 -0.067 0.000 0.907 67 Q CA 1.320 57.129 55.803 0.010 0.000 0.919 67 Q CB 0.960 29.776 28.738 0.129 0.000 1.051 67 Q HN 1.184 9.454 8.270 0.000 0.000 0.538 68 V N -4.113 115.674 119.914 -0.213 0.000 3.160 68 V HA 0.795 4.916 4.120 0.003 0.000 0.310 68 V C -0.701 175.186 176.094 -0.344 0.000 1.181 68 V CA -0.900 61.147 62.300 -0.423 0.000 1.047 68 V CB 2.215 33.692 31.823 -0.576 0.000 1.068 68 V HN -0.159 8.031 8.190 0.000 0.000 0.441 69 T N 2.557 116.918 114.554 -0.321 0.000 2.949 69 T HA 0.652 5.004 4.350 0.003 0.000 0.300 69 T C -0.513 174.139 174.700 -0.081 0.000 0.988 69 T CA -0.061 61.978 62.100 -0.100 0.000 0.993 69 T CB 0.877 69.677 68.868 -0.114 0.000 0.984 69 T HN 0.658 8.898 8.240 0.000 0.000 0.442 70 I N 3.283 123.920 120.570 0.111 0.000 2.385 70 I HA 0.622 4.794 4.170 0.003 0.000 0.294 70 I C 0.599 176.757 176.117 0.069 0.000 0.988 70 I CA -0.325 60.970 61.300 -0.008 0.000 1.265 70 I CB 1.394 39.353 38.000 -0.068 0.000 1.388 70 I HN 0.722 8.932 8.210 0.000 0.000 0.480 71 S N 3.848 119.629 115.700 0.136 0.000 2.688 71 S HA 0.952 5.423 4.470 0.003 0.000 0.275 71 S C -1.052 173.719 174.600 0.285 0.000 1.175 71 S CA -0.877 57.426 58.200 0.171 0.000 0.818 71 S CB 2.222 65.493 63.200 0.119 0.000 1.157 71 S HN 0.894 9.204 8.310 0.000 0.000 0.482 72 A N 0.319 123.295 122.820 0.260 0.000 2.540 72 A HA 0.663 4.984 4.320 0.003 0.000 0.297 72 A C -2.004 175.723 177.584 0.239 0.000 1.056 72 A CA -0.505 51.698 52.037 0.276 0.000 0.700 72 A CB 1.526 20.630 19.000 0.173 0.000 1.280 72 A HN 0.721 8.871 8.150 0.000 0.000 0.398 73 D N 2.099 122.660 120.400 0.269 0.000 2.467 73 D HA 0.285 4.926 4.640 0.003 0.000 0.220 73 D C 0.932 177.289 176.300 0.094 0.000 1.103 73 D CA -0.203 53.900 54.000 0.172 0.000 0.886 73 D CB 1.011 41.942 40.800 0.218 0.000 1.025 73 D HN 0.550 8.920 8.370 0.000 0.000 0.514 74 K N 0.607 121.061 120.400 0.090 0.000 2.034 74 K HA -0.219 4.102 4.320 0.003 0.000 0.214 74 K C 2.093 178.688 176.600 -0.008 0.000 1.051 74 K CA 1.909 58.242 56.287 0.077 0.000 0.931 74 K CB -0.083 32.440 32.500 0.037 0.000 0.715 74 K HN 0.359 8.609 8.250 0.000 0.000 0.446 75 S N 1.698 117.390 115.700 -0.013 0.000 2.374 75 S HA -0.191 4.280 4.470 0.003 0.000 0.227 75 S C 1.850 176.402 174.600 -0.079 0.000 1.037 75 S CA 1.642 59.819 58.200 -0.037 0.000 1.024 75 S CB -0.826 62.364 63.200 -0.018 0.000 0.861 75 S HN 0.555 8.865 8.310 0.000 0.000 0.456 76 I N -2.020 118.493 120.570 -0.095 0.000 3.889 76 I HA 0.415 4.587 4.170 0.003 0.000 0.332 76 I C -0.204 175.726 176.117 -0.313 0.000 1.493 76 I CA -0.521 60.693 61.300 -0.144 0.000 1.158 76 I CB -0.444 37.514 38.000 -0.069 0.000 1.117 76 I HN 0.044 8.254 8.210 0.000 0.000 0.411 77 S N 1.370 116.793 115.700 -0.462 0.000 3.378 77 S HA -0.170 4.302 4.470 0.003 0.000 0.365 77 S C 0.240 174.062 174.600 -1.296 0.000 0.951 77 S CA 1.163 58.666 58.200 -1.162 0.000 1.274 77 S CB -1.649 60.943 63.200 -1.014 0.000 0.915 77 S HN 0.801 9.111 8.310 0.000 0.000 0.513 78 T N 1.279 115.409 114.554 -0.707 0.000 2.886 78 T HA 0.713 5.065 4.350 0.003 0.000 0.292 78 T C 0.032 174.580 174.700 -0.254 0.000 1.012 78 T CA 0.040 61.853 62.100 -0.478 0.000 0.982 78 T CB 1.902 70.507 68.868 -0.438 0.000 1.018 78 T HN 0.551 8.791 8.240 0.000 0.000 0.451 79 A N 2.591 125.314 122.820 -0.161 0.000 2.299 79 A HA 0.934 5.255 4.320 0.003 0.000 0.332 79 A C -1.695 175.803 177.584 -0.143 0.000 1.131 79 A CA -0.618 51.436 52.037 0.028 0.000 0.844 79 A CB 0.859 19.983 19.000 0.207 0.000 1.251 79 A HN 0.801 8.951 8.150 0.000 0.000 0.486 80 Y N -0.742 119.763 120.300 0.341 0.000 2.504 80 Y HA 0.582 5.134 4.550 0.003 0.000 0.344 80 Y C -0.594 175.168 175.900 -0.230 0.000 1.023 80 Y CA -0.680 57.489 58.100 0.116 0.000 1.020 80 Y CB 2.149 40.616 38.460 0.013 0.000 1.282 80 Y HN 0.691 8.971 8.280 0.000 0.000 0.454 81 L N 2.510 123.414 121.223 -0.531 0.000 2.341 81 L HA 0.737 5.078 4.340 0.003 0.000 0.267 81 L C -1.265 175.208 176.870 -0.662 0.000 1.009 81 L CA -0.530 53.718 54.840 -0.988 0.000 0.819 81 L CB 2.230 43.140 42.059 -1.914 0.000 1.323 81 L HN 0.767 8.997 8.230 0.000 0.000 0.425 82 Q N 3.268 122.610 119.800 -0.764 0.000 2.352 82 Q HA 0.295 4.636 4.340 0.003 0.000 0.270 82 Q C -2.180 173.499 176.000 -0.534 0.000 1.006 82 Q CA -0.595 54.940 55.803 -0.446 0.000 0.880 82 Q CB 1.613 30.213 28.738 -0.230 0.000 1.392 82 Q HN 0.701 8.971 8.270 0.000 0.000 0.401 83 W N 1.685 122.893 121.300 -0.154 0.000 2.570 83 W HA 0.327 4.989 4.660 0.003 0.000 0.337 83 W C 0.515 176.986 176.519 -0.080 0.000 1.067 83 W CA -0.509 56.769 57.345 -0.112 0.000 1.229 83 W CB 2.157 31.551 29.460 -0.109 0.000 1.355 83 W HN 0.721 8.901 8.180 0.000 0.000 0.555 84 S N 1.261 117.047 115.700 0.143 0.000 2.371 84 S HA -0.087 4.384 4.470 0.003 0.000 0.219 84 S C 0.677 175.327 174.600 0.083 0.000 1.040 84 S CA 0.608 58.853 58.200 0.075 0.000 0.958 84 S CB 0.068 63.286 63.200 0.030 0.000 0.860 84 S HN 0.362 8.672 8.310 0.000 0.000 0.487 85 S N 1.372 117.131 115.700 0.099 0.000 2.718 85 S HA 0.521 4.993 4.470 0.003 0.000 0.294 85 S C -0.559 174.074 174.600 0.055 0.000 1.157 85 S CA -0.685 57.551 58.200 0.059 0.000 1.121 85 S CB -0.082 63.139 63.200 0.035 0.000 1.015 85 S HN 0.259 8.569 8.310 0.000 0.000 0.479 86 L N 3.808 125.030 121.223 -0.000 0.000 2.461 86 L HA 0.415 4.756 4.340 0.003 0.000 0.272 86 L C 0.359 177.190 176.870 -0.066 0.000 1.197 86 L CA -0.068 54.714 54.840 -0.097 0.000 0.836 86 L CB 0.565 42.519 42.059 -0.176 0.000 1.105 86 L HN 0.572 8.802 8.230 0.000 0.000 0.477 87 K N 0.728 121.079 120.400 -0.081 0.000 2.385 87 K HA 0.526 4.848 4.320 0.003 0.000 0.248 87 K C 0.495 177.066 176.600 -0.048 0.000 0.955 87 K CA -0.173 56.090 56.287 -0.040 0.000 0.816 87 K CB 1.880 34.380 32.500 0.001 0.000 1.250 87 K HN 0.513 8.763 8.250 0.000 0.000 0.434 88 A N 1.207 124.007 122.820 -0.032 0.000 1.927 88 A HA -0.201 4.120 4.320 0.003 0.000 0.220 88 A C 1.645 179.222 177.584 -0.012 0.000 1.185 88 A CA 2.506 54.528 52.037 -0.025 0.000 0.639 88 A CB -1.079 17.910 19.000 -0.020 0.000 0.820 88 A HN 0.810 8.960 8.150 0.000 0.000 0.451 89 S N -0.656 115.046 115.700 0.005 0.000 2.555 89 S HA -0.078 4.394 4.470 0.003 0.000 0.230 89 S C 0.994 175.632 174.600 0.063 0.000 0.978 89 S CA 0.999 59.218 58.200 0.030 0.000 0.934 89 S CB -0.270 62.953 63.200 0.037 0.000 0.766 89 S HN 0.550 8.860 8.310 0.000 0.000 0.533 90 D N 1.823 122.244 120.400 0.035 0.000 2.355 90 D HA 0.030 4.672 4.640 0.003 0.000 0.218 90 D C -0.098 176.251 176.300 0.082 0.000 1.004 90 D CA 0.491 54.530 54.000 0.065 0.000 0.880 90 D CB -0.115 40.574 40.800 -0.186 0.000 0.911 90 D HN 0.335 8.705 8.370 0.000 0.000 0.528 91 T N 1.625 116.194 114.554 0.026 0.000 2.793 91 T HA 0.379 4.731 4.350 0.003 0.000 0.289 91 T C 0.248 174.961 174.700 0.022 0.000 0.956 91 T CA 0.051 62.165 62.100 0.024 0.000 1.177 91 T CB 0.726 69.598 68.868 0.007 0.000 0.897 91 T HN 0.142 8.382 8.240 0.000 0.000 0.533 92 A N 4.328 127.140 122.820 -0.013 0.000 2.456 92 A HA 0.651 4.972 4.320 0.003 0.000 0.294 92 A C -1.250 176.172 177.584 -0.270 0.000 1.057 92 A CA -0.895 51.041 52.037 -0.168 0.000 0.623 92 A CB 0.924 19.744 19.000 -0.301 0.000 1.338 92 A HN 0.550 8.700 8.150 0.000 0.000 0.464 93 M N 0.261 119.659 119.600 -0.337 0.000 2.367 93 M HA 0.517 4.998 4.480 0.003 0.000 0.339 93 M C -1.626 174.348 176.300 -0.543 0.000 1.177 93 M CA 0.103 55.218 55.300 -0.309 0.000 1.068 93 M CB 0.916 33.366 32.600 -0.250 0.000 1.602 93 M HN 0.652 8.942 8.290 0.000 0.000 0.457 94 Y N 1.411 121.675 120.300 -0.060 0.000 2.361 94 Y HA 0.438 4.990 4.550 0.003 0.000 0.337 94 Y C -1.123 174.826 175.900 0.082 0.000 0.965 94 Y CA -0.593 57.583 58.100 0.126 0.000 1.091 94 Y CB 1.532 40.161 38.460 0.281 0.000 1.182 94 Y HN 0.464 8.744 8.280 0.000 0.000 0.450 95 Y N 1.976 122.567 120.300 0.485 0.000 2.429 95 Y HA 0.586 5.137 4.550 0.002 0.000 0.342 95 Y C 0.174 176.109 175.900 0.058 0.000 1.004 95 Y CA -1.164 57.133 58.100 0.328 0.000 1.075 95 Y CB 1.475 40.200 38.460 0.442 0.000 1.214 95 Y HN 0.728 9.008 8.280 0.000 0.000 0.455 96 c N 0.800 119.266 118.600 -0.223 0.000 2.454 96 c HA 1.035 5.606 4.570 0.003 0.000 0.336 96 c C -0.207 173.533 174.090 -0.584 0.000 1.189 96 c CA -0.724 55.069 56.329 -0.893 0.000 1.877 96 c CB 0.496 42.065 42.510 -1.567 0.000 2.348 96 c HN 1.044 9.274 8.230 0.000 0.000 0.508 97 A N 2.262 124.647 122.820 -0.725 0.000 2.606 97 A HA 0.837 5.159 4.320 0.003 0.000 0.293 97 A C -0.934 176.319 177.584 -0.550 0.000 1.082 97 A CA -0.614 50.954 52.037 -0.783 0.000 0.685 97 A CB 1.326 19.398 19.000 -1.546 0.000 1.284 97 A HN 1.064 9.214 8.150 0.000 0.000 0.408 98 R N 1.236 121.488 120.500 -0.415 0.000 2.349 98 R HA 0.364 4.705 4.340 0.003 0.000 0.299 98 R C -0.815 175.436 176.300 -0.080 0.000 1.027 98 R CA -0.246 55.710 56.100 -0.240 0.000 0.958 98 R CB 0.410 30.513 30.300 -0.328 0.000 1.047 98 R HN 0.975 9.245 8.270 0.000 0.000 0.468 99 H N 1.609 120.712 119.070 0.055 0.000 2.615 99 H HA 0.060 4.617 4.556 0.002 0.000 0.363 99 H C -0.635 174.834 175.328 0.235 0.000 1.148 99 H CA -0.275 55.878 56.048 0.175 0.000 1.401 99 H CB 0.980 30.938 29.762 0.327 0.000 1.461 99 H HN 0.507 8.787 8.280 0.000 0.000 0.588 100 Y N 0.896 121.242 120.300 0.077 0.000 2.780 100 Y HA -0.020 4.531 4.550 0.003 0.000 0.340 100 Y C 1.173 176.961 175.900 -0.187 0.000 1.216 100 Y CA -0.791 57.207 58.100 -0.170 0.000 1.245 100 Y CB -0.052 37.956 38.460 -0.752 0.000 1.492 100 Y HN 0.668 8.948 8.280 0.000 0.000 0.660 101 Y N 0.933 120.605 120.300 -1.047 0.000 2.114 101 Y HA -0.269 4.283 4.550 0.002 0.000 0.282 101 Y C 0.603 176.449 175.900 -0.090 0.000 1.165 101 Y CA 1.627 59.437 58.100 -0.482 0.000 1.148 101 Y CB -1.591 36.633 38.460 -0.394 0.000 0.972 101 Y HN 0.417 8.697 8.280 0.000 0.000 0.504 102 Y N 1.104 121.126 120.300 -0.464 0.000 3.096 102 Y HA 0.084 4.635 4.550 0.003 0.000 0.377 102 Y C 1.196 176.830 175.900 -0.442 0.000 1.107 102 Y CA -0.762 56.962 58.100 -0.626 0.000 2.045 102 Y CB -2.172 36.053 38.460 -0.393 0.000 2.203 102 Y HN 0.374 8.654 8.280 0.000 0.000 0.408 103 Y N -2.589 117.527 120.300 -0.307 0.000 2.483 103 Y HA -0.346 4.205 4.550 0.003 0.000 0.261 103 Y C 0.214 175.713 175.900 -0.668 0.000 1.215 103 Y CA 0.781 58.658 58.100 -0.371 0.000 1.540 103 Y CB -1.175 37.111 38.460 -0.290 0.000 0.966 103 Y HN 0.350 8.630 8.280 0.000 0.000 0.624 104 Y N 1.018 120.802 120.300 -0.860 0.000 2.720 104 Y HA 0.572 5.124 4.550 0.003 0.000 0.277 104 Y C 0.841 176.645 175.900 -0.161 0.000 1.144 104 Y CA -1.216 56.529 58.100 -0.592 0.000 1.221 104 Y CB 0.795 38.986 38.460 -0.448 0.000 1.163 104 Y HN 0.159 8.439 8.280 0.000 0.000 0.537 105 G N 0.624 109.480 108.800 0.093 0.000 2.590 105 G HA2 0.479 4.440 3.960 0.003 0.000 0.310 105 G HA3 0.479 4.440 3.960 0.003 0.000 0.310 105 G C -0.559 174.566 174.900 0.376 0.000 1.347 105 G CA -0.755 44.521 45.100 0.293 0.000 0.963 105 G HN -0.068 8.222 8.290 0.000 0.000 0.494 106 M N 3.497 123.284 119.600 0.312 0.000 2.319 106 M HA 0.159 4.640 4.480 0.003 0.000 0.343 106 M C 0.425 176.818 176.300 0.155 0.000 1.364 106 M CA -0.520 54.831 55.300 0.086 0.000 1.292 106 M CB 0.873 33.276 32.600 -0.327 0.000 1.432 106 M HN 0.756 9.046 8.290 0.000 0.000 0.448 107 D N 1.557 122.029 120.400 0.120 0.000 2.289 107 D HA 0.027 4.668 4.640 0.003 0.000 0.207 107 D C 0.274 176.639 176.300 0.109 0.000 0.966 107 D CA 0.460 54.542 54.000 0.137 0.000 0.868 107 D CB 0.433 41.249 40.800 0.028 0.000 0.943 107 D HN 0.296 8.666 8.370 0.000 0.000 0.514 108 V N 0.542 120.432 119.914 -0.041 0.000 2.540 108 V HA 0.375 4.497 4.120 0.003 0.000 0.302 108 V C -1.377 174.631 176.094 -0.144 0.000 1.035 108 V CA -0.880 61.407 62.300 -0.021 0.000 0.873 108 V CB 1.970 33.716 31.823 -0.128 0.000 0.992 108 V HN 0.044 8.234 8.190 0.000 0.000 0.428 109 W N 2.658 123.935 121.300 -0.039 0.000 2.587 109 W HA 0.702 5.364 4.660 0.004 0.000 0.324 109 W C 0.760 177.293 176.519 0.023 0.000 1.040 109 W CA -0.387 56.943 57.345 -0.026 0.000 1.222 109 W CB 1.697 31.122 29.460 -0.057 0.000 1.381 109 W HN 0.794 8.974 8.180 0.000 0.000 0.483 110 G N 2.096 111.015 108.800 0.198 0.000 2.716 110 G HA2 0.070 4.032 3.960 0.003 0.000 0.251 110 G HA3 0.070 4.032 3.960 0.003 0.000 0.251 110 G C 0.788 175.876 174.900 0.313 0.000 1.224 110 G CA -0.277 44.932 45.100 0.181 0.000 0.891 110 G HN 0.552 8.842 8.290 0.000 0.000 0.561 111 Q N -0.116 119.824 119.800 0.234 0.000 2.425 111 Q HA 0.271 4.612 4.340 0.003 0.000 0.204 111 Q C 0.788 176.940 176.000 0.253 0.000 0.933 111 Q CA 0.978 56.927 55.803 0.243 0.000 0.939 111 Q CB -0.206 28.622 28.738 0.149 0.000 1.044 111 Q HN 1.883 10.153 8.270 0.000 0.000 0.513 112 G N -0.003 108.910 108.800 0.188 0.000 2.629 112 G HA2 -0.095 3.867 3.960 0.003 0.000 0.686 112 G HA3 -0.095 3.867 3.960 0.003 0.000 0.686 112 G C -1.014 173.890 174.900 0.006 0.000 1.232 112 G CA -0.331 44.707 45.100 -0.103 0.000 0.803 112 G HN 0.184 8.474 8.290 0.000 0.000 0.638 113 T N 0.973 115.534 114.554 0.012 0.000 3.050 113 T HA 0.595 4.947 4.350 0.003 0.000 0.310 113 T C 0.170 174.934 174.700 0.108 0.000 0.978 113 T CA 0.334 62.498 62.100 0.106 0.000 1.013 113 T CB 1.586 70.576 68.868 0.203 0.000 1.000 113 T HN 1.170 9.410 8.240 0.000 0.000 0.447 114 T N 2.392 116.987 114.554 0.068 0.000 2.889 114 T HA 0.654 5.006 4.350 0.003 0.000 0.291 114 T C -0.134 174.627 174.700 0.101 0.000 0.995 114 T CA -0.479 61.661 62.100 0.066 0.000 1.092 114 T CB 0.406 69.298 68.868 0.041 0.000 0.954 114 T HN 0.606 8.846 8.240 0.000 0.000 0.506 115 V N 2.647 122.632 119.914 0.117 0.000 2.577 115 V HA 0.787 4.908 4.120 0.003 0.000 0.303 115 V C -0.478 175.642 176.094 0.043 0.000 1.042 115 V CA -0.547 61.791 62.300 0.064 0.000 0.872 115 V CB 1.802 33.619 31.823 -0.009 0.000 0.998 115 V HN 0.899 9.089 8.190 0.000 0.000 0.423 116 T N 4.874 119.450 114.554 0.036 0.000 2.792 116 T HA 0.647 4.998 4.350 0.003 0.000 0.280 116 T C -0.510 174.203 174.700 0.022 0.000 0.990 116 T CA -0.367 61.769 62.100 0.061 0.000 0.960 116 T CB 1.519 70.473 68.868 0.143 0.000 0.939 116 T HN 0.779 9.019 8.240 0.000 0.000 0.439 117 V N 4.176 124.090 119.914 0.001 0.000 2.325 117 V HA 0.525 4.647 4.120 0.003 0.000 0.280 117 V C 0.040 176.140 176.094 0.010 0.000 1.016 117 V CA -0.794 61.494 62.300 -0.020 0.000 0.818 117 V CB 0.997 32.776 31.823 -0.074 0.000 1.019 117 V HN 1.016 9.206 8.190 0.000 0.000 0.434 118 S N 2.428 118.154 115.700 0.044 0.000 2.482 118 S HA 0.443 4.915 4.470 0.003 0.000 0.303 118 S C 0.878 175.507 174.600 0.048 0.000 1.091 118 S CA -0.434 57.813 58.200 0.078 0.000 1.057 118 S CB 1.969 65.263 63.200 0.158 0.000 1.031 118 S HN 0.409 8.719 8.310 0.000 0.000 0.485 119 S N 1.200 116.889 115.700 -0.019 0.000 2.399 119 S HA 0.003 4.474 4.470 0.003 0.000 0.231 119 S C 0.268 174.753 174.600 -0.192 0.000 1.022 119 S CA 0.667 58.768 58.200 -0.165 0.000 0.983 119 S CB -0.368 62.645 63.200 -0.310 0.000 0.803 119 S HN 0.781 9.091 8.310 0.000 0.000 0.480 120 W N 1.801 123.097 121.300 -0.007 0.000 2.049 120 W HA 0.338 5.000 4.660 0.003 0.000 0.356 120 W C 0.730 177.258 176.519 0.015 0.000 1.323 120 W CA -0.539 56.807 57.345 0.002 0.000 1.336 120 W CB 0.214 29.674 29.460 -0.001 0.000 1.176 120 W HN -0.108 8.072 8.180 0.000 0.000 0.623 121 S N 0.223 116.124 115.700 0.336 0.000 2.681 121 S HA 0.668 5.140 4.470 0.003 0.000 0.299 121 S C -0.299 174.409 174.600 0.179 0.000 1.113 121 S CA -0.947 57.370 58.200 0.195 0.000 1.013 121 S CB 1.293 64.581 63.200 0.147 0.000 1.076 121 S HN 0.578 8.888 8.310 0.000 0.000 0.534 122 A N 2.021 124.927 122.820 0.143 0.000 2.546 122 A HA 0.504 4.825 4.320 0.003 0.000 0.243 122 A C 0.450 178.113 177.584 0.131 0.000 1.063 122 A CA -0.029 52.098 52.037 0.149 0.000 0.757 122 A CB -0.482 18.599 19.000 0.135 0.000 0.991 122 A HN 1.008 9.158 8.150 0.000 0.000 0.503 123 S N 0.828 116.604 115.700 0.127 0.000 2.596 123 S HA 0.785 5.256 4.470 0.003 0.000 0.270 123 S C -0.285 174.270 174.600 -0.075 0.000 1.155 123 S CA -0.290 57.940 58.200 0.050 0.000 0.827 123 S CB 1.107 64.320 63.200 0.021 0.000 1.130 123 S HN 2.053 10.364 8.310 0.000 0.000 0.467 124 A N 2.039 124.790 122.820 -0.115 0.000 2.407 124 A HA 0.695 5.016 4.320 0.003 0.000 0.248 124 A C -2.263 175.159 177.584 -0.269 0.000 1.082 124 A CA -1.325 50.550 52.037 -0.270 0.000 0.785 124 A CB -0.704 18.221 19.000 -0.126 0.000 1.020 124 A HN 0.699 8.849 8.150 0.000 0.000 0.489 125 P HA 0.270 4.690 4.420 0.000 0.000 0.274 125 P C -0.408 176.823 177.300 -0.115 0.000 1.246 125 P CA 0.014 62.997 63.100 -0.196 0.000 0.795 125 P CB 0.699 32.086 31.700 -0.521 0.000 1.006 126 T N 1.410 115.966 114.554 0.004 0.000 2.888 126 T HA 0.591 4.942 4.350 0.003 0.000 0.284 126 T C 0.137 174.850 174.700 0.022 0.000 1.017 126 T CA -0.434 61.671 62.100 0.009 0.000 1.022 126 T CB 0.651 69.604 68.868 0.143 0.000 1.013 126 T HN 0.203 8.443 8.240 0.000 0.000 0.465 127 L N 1.887 123.000 121.223 -0.183 0.000 2.303 127 L HA 0.822 5.163 4.340 0.003 0.000 0.266 127 L C -1.238 175.340 176.870 -0.487 0.000 1.011 127 L CA -0.955 53.766 54.840 -0.199 0.000 0.818 127 L CB 1.524 43.422 42.059 -0.267 0.000 1.326 127 L HN 0.635 8.865 8.230 0.000 0.000 0.435 128 F N 0.385 120.334 119.950 -0.000 0.000 2.680 128 F HA 0.257 4.784 4.527 0.001 0.000 0.315 128 F C -2.441 173.374 175.800 0.026 0.000 1.099 128 F CA -1.116 56.888 58.000 0.006 0.000 1.033 128 F CB 1.718 40.726 39.000 0.014 0.000 1.285 128 F HN 0.208 8.508 8.300 0.000 0.000 0.457 129 P HA 0.338 4.758 4.420 0.000 0.000 0.274 129 P C -1.041 176.353 177.300 0.157 0.000 1.246 129 P CA -0.218 62.978 63.100 0.162 0.000 0.795 129 P CB 1.450 33.228 31.700 0.131 0.000 1.006 130 L N 1.229 122.539 121.223 0.145 0.000 2.454 130 L HA 0.353 4.695 4.340 0.003 0.000 0.258 130 L C -0.329 176.586 176.870 0.075 0.000 1.025 130 L CA -0.589 54.308 54.840 0.096 0.000 0.901 130 L CB 1.507 43.614 42.059 0.081 0.000 1.210 130 L HN 0.078 8.308 8.230 0.000 0.000 0.457 131 V N 0.350 120.299 119.914 0.058 0.000 3.046 131 V HA 0.583 4.705 4.120 0.003 0.000 0.316 131 V C 0.225 176.333 176.094 0.023 0.000 1.104 131 V CA -0.205 62.120 62.300 0.042 0.000 1.006 131 V CB 2.067 33.919 31.823 0.049 0.000 1.058 131 V HN 0.647 8.837 8.190 0.000 0.000 0.440 132 S N -0.352 115.357 115.700 0.015 0.000 3.884 132 S HA 0.227 4.698 4.470 0.003 0.000 0.174 132 S C 0.676 175.281 174.600 0.008 0.000 0.872 132 S CA 0.825 59.029 58.200 0.007 0.000 1.015 132 S CB 0.301 63.501 63.200 -0.000 0.000 1.395 132 S HN 1.359 9.669 8.310 0.000 0.000 0.737 144 A N 2.921 125.720 122.820 -0.036 0.000 2.452 144 A HA 1.047 5.368 4.320 0.003 0.000 0.285 144 A C -0.904 176.654 177.584 -0.044 0.000 1.209 144 A CA -0.861 51.143 52.037 -0.055 0.000 0.940 144 A CB 1.911 20.869 19.000 -0.069 0.000 1.440 144 A HN 1.269 9.419 8.150 0.000 0.000 0.480 145 V N -0.798 119.079 119.914 -0.062 0.000 2.851 145 V HA 0.653 4.774 4.120 0.003 0.000 0.307 145 V C 0.407 176.512 176.094 0.019 0.000 1.129 145 V CA 0.068 62.365 62.300 -0.005 0.000 0.932 145 V CB 1.781 33.621 31.823 0.028 0.000 1.024 145 V HN 1.410 9.600 8.190 0.000 0.000 0.426 146 G N 1.003 109.876 108.800 0.122 0.000 2.735 146 G HA2 0.674 4.635 3.960 0.003 0.000 0.301 146 G HA3 0.674 4.635 3.960 0.003 0.000 0.301 146 G C -1.208 173.933 174.900 0.402 0.000 1.279 146 G CA -0.601 44.650 45.100 0.251 0.000 1.019 146 G HN 1.044 9.334 8.290 0.000 0.000 0.497 147 c N 0.949 119.801 118.600 0.421 0.000 2.607 147 c HA 0.690 5.262 4.570 0.003 0.000 0.350 147 c C -0.427 173.818 174.090 0.258 0.000 1.101 147 c CA -1.014 55.457 56.329 0.236 0.000 1.282 147 c CB -0.494 41.971 42.510 -0.075 0.000 1.825 147 c HN 0.943 9.173 8.230 0.000 0.000 0.460 148 L N 4.504 125.885 121.223 0.263 0.000 2.376 148 L HA 1.082 5.423 4.340 0.003 0.000 0.267 148 L C -0.006 177.105 176.870 0.402 0.000 1.035 148 L CA -0.250 54.792 54.840 0.337 0.000 0.800 148 L CB 0.989 43.184 42.059 0.227 0.000 1.290 148 L HN 0.920 9.150 8.230 0.000 0.000 0.462 149 A N 0.582 123.671 122.820 0.448 0.000 2.393 149 A HA 0.789 5.111 4.320 0.003 0.000 0.306 149 A C -0.913 176.925 177.584 0.423 0.000 1.050 149 A CA -0.404 51.814 52.037 0.302 0.000 0.724 149 A CB 1.439 20.460 19.000 0.036 0.000 1.248 149 A HN 0.856 9.006 8.150 0.000 0.000 0.424 150 Q N 1.127 121.144 119.800 0.361 0.000 2.501 150 Q HA 0.460 4.801 4.340 0.003 0.000 0.288 150 Q C -1.409 174.713 176.000 0.202 0.000 1.051 150 Q CA -0.506 55.450 55.803 0.254 0.000 0.788 150 Q CB 1.768 30.580 28.738 0.123 0.000 1.469 150 Q HN 0.895 9.165 8.270 0.000 0.000 0.416 151 D N 1.668 122.044 120.400 -0.039 0.000 3.357 151 D HA -0.182 4.459 4.640 0.003 0.000 0.238 151 D C -1.741 174.559 176.300 0.000 0.000 1.126 151 D CA 1.342 55.254 54.000 -0.147 0.000 0.984 151 D CB -0.851 39.851 40.800 -0.163 0.000 0.925 151 D HN 0.416 8.787 8.370 0.000 0.000 0.414 152 F N 0.409 120.313 119.950 -0.077 0.000 2.678 152 F HA 0.763 5.291 4.527 0.001 0.000 0.308 152 F C -2.006 173.844 175.800 0.084 0.000 1.118 152 F CA -1.340 56.590 58.000 -0.116 0.000 0.959 152 F CB 1.166 39.970 39.000 -0.327 0.000 1.305 152 F HN 0.025 8.325 8.300 0.000 0.000 0.443 153 L N 3.757 125.173 121.223 0.322 0.000 2.513 153 L HA 0.781 5.122 4.340 0.003 0.000 0.261 153 L C -2.785 174.301 176.870 0.361 0.000 0.945 153 L CA -1.659 53.364 54.840 0.305 0.000 0.848 153 L CB 2.897 45.090 42.059 0.224 0.000 1.334 153 L HN 0.523 8.753 8.230 0.000 0.000 0.407 154 P HA 0.157 4.577 4.420 0.000 0.000 0.297 154 P C -1.108 176.118 177.300 -0.125 0.000 1.307 154 P CA -0.329 62.773 63.100 0.002 0.000 0.773 154 P CB 0.547 32.225 31.700 -0.036 0.000 1.265 155 D N -0.032 120.007 120.400 -0.602 0.000 2.398 155 D HA 0.078 4.720 4.640 0.003 0.000 0.250 155 D C -0.354 175.853 176.300 -0.155 0.000 1.287 155 D CA 0.649 54.362 54.000 -0.479 0.000 0.992 155 D CB -0.897 39.495 40.800 -0.681 0.000 1.071 155 D HN 0.138 8.508 8.370 0.000 0.000 0.514 156 S N 4.505 120.151 115.700 -0.090 0.000 2.646 156 S HA 0.204 4.675 4.470 0.003 0.000 0.217 156 S C -0.271 174.217 174.600 -0.185 0.000 0.836 156 S CA -0.654 57.454 58.200 -0.152 0.000 1.094 156 S CB -0.365 62.701 63.200 -0.224 0.000 1.557 156 S HN 0.549 8.859 8.310 0.000 0.000 0.449 157 I N 1.659 122.163 120.570 -0.110 0.000 2.918 157 I HA 0.732 4.904 4.170 0.003 0.000 0.316 157 I C -0.275 175.774 176.117 -0.113 0.000 1.001 157 I CA 0.017 61.201 61.300 -0.194 0.000 1.142 157 I CB 2.025 39.759 38.000 -0.442 0.000 1.356 157 I HN 0.299 8.509 8.210 0.000 0.000 0.524 158 T N 4.385 118.840 114.554 -0.165 0.000 3.395 158 T HA 0.391 4.742 4.350 0.003 0.000 0.330 158 T C -0.935 173.712 174.700 -0.089 0.000 1.076 158 T CA -0.438 61.638 62.100 -0.041 0.000 1.070 158 T CB 0.211 69.073 68.868 -0.010 0.000 1.119 158 T HN 0.300 8.540 8.240 0.000 0.000 0.462 159 F N 3.128 123.080 119.950 0.004 0.000 2.403 159 F HA 0.646 5.177 4.527 0.008 0.000 0.320 159 F C 1.201 177.025 175.800 0.040 0.000 1.176 159 F CA 0.274 58.282 58.000 0.013 0.000 1.206 159 F CB 1.430 40.490 39.000 0.100 0.000 1.235 159 F HN 0.734 9.034 8.300 0.000 0.000 0.565 160 S N 0.325 116.157 115.700 0.219 0.000 2.563 160 S HA 0.490 4.962 4.470 0.003 0.000 0.279 160 S C -1.636 173.036 174.600 0.120 0.000 1.155 160 S CA -1.131 57.184 58.200 0.192 0.000 0.928 160 S CB 0.376 63.630 63.200 0.089 0.000 1.107 160 S HN 0.543 8.853 8.310 0.000 0.000 0.462 161 W N 1.421 122.781 121.300 0.100 0.000 2.594 161 W HA 0.858 5.523 4.660 0.008 0.000 0.365 161 W C 0.042 176.608 176.519 0.078 0.000 1.196 161 W CA -0.406 56.986 57.345 0.079 0.000 1.258 161 W CB 1.419 30.912 29.460 0.056 0.000 1.405 161 W HN 0.839 9.019 8.180 0.000 0.000 0.640 162 K N 0.236 120.848 120.400 0.353 0.000 2.583 162 K HA 0.276 4.597 4.320 0.003 0.000 0.260 162 K C -1.255 175.500 176.600 0.258 0.000 0.931 162 K CA -0.705 55.745 56.287 0.271 0.000 0.849 162 K CB 0.763 33.359 32.500 0.160 0.000 1.347 162 K HN 0.276 8.526 8.250 0.000 0.000 0.425 163 Y N 2.073 122.428 120.300 0.092 0.000 2.245 163 Y HA 0.016 4.567 4.550 0.002 0.000 0.355 163 Y C 2.003 177.892 175.900 -0.019 0.000 1.278 163 Y CA 0.473 58.595 58.100 0.038 0.000 1.593 163 Y CB 0.523 38.989 38.460 0.010 0.000 1.393 163 Y HN 0.657 8.937 8.280 0.000 0.000 0.662 164 K N 0.516 120.936 120.400 0.034 0.000 2.044 164 K HA -0.226 4.096 4.320 0.003 0.000 0.210 164 K C -0.030 176.578 176.600 0.013 0.000 1.049 164 K CA 1.584 57.782 56.287 -0.147 0.000 0.927 164 K CB -0.405 31.899 32.500 -0.326 0.000 0.713 164 K HN 0.829 9.079 8.250 0.000 0.000 0.443 165 N N 0.731 119.469 118.700 0.063 0.000 2.467 165 N HA -0.084 4.658 4.740 0.003 0.000 0.262 165 N C -0.491 175.061 175.510 0.071 0.000 1.234 165 N CA -0.447 52.634 53.050 0.052 0.000 0.952 165 N CB 0.198 38.698 38.487 0.022 0.000 1.158 165 N HN 0.031 8.411 8.380 0.000 0.000 0.463 166 N N 0.349 119.076 118.700 0.044 0.000 2.434 166 N HA 0.009 4.751 4.740 0.003 0.000 0.273 166 N C -1.226 174.303 175.510 0.032 0.000 1.210 166 N CA 0.069 53.147 53.050 0.045 0.000 0.992 166 N CB -0.526 37.979 38.487 0.029 0.000 1.355 166 N HN 0.696 9.075 8.380 0.000 0.000 0.495 167 S N 1.361 117.097 115.700 0.061 0.000 2.537 167 S HA 0.337 4.808 4.470 0.003 0.000 0.270 167 S C -1.123 173.540 174.600 0.106 0.000 1.142 167 S CA -1.073 57.143 58.200 0.026 0.000 0.870 167 S CB 1.479 64.619 63.200 -0.100 0.000 1.112 167 S HN 0.267 8.577 8.310 0.000 0.000 0.466 168 D N 0.881 121.327 120.400 0.076 0.000 2.344 168 D HA 0.591 5.233 4.640 0.003 0.000 0.244 168 D C -0.319 176.087 176.300 0.176 0.000 1.134 168 D CA -0.147 53.926 54.000 0.122 0.000 0.930 168 D CB 0.548 41.393 40.800 0.075 0.000 1.175 168 D HN 0.589 8.959 8.370 0.000 0.000 0.437 169 I N 0.248 120.940 120.570 0.203 0.000 2.533 169 I HA 0.190 4.361 4.170 0.003 0.000 0.290 169 I C 0.052 176.233 176.117 0.107 0.000 1.056 169 I CA -0.482 60.933 61.300 0.192 0.000 1.057 169 I CB 2.135 40.254 38.000 0.198 0.000 1.240 169 I HN 0.251 8.461 8.210 0.000 0.000 0.423 170 S N 1.622 117.360 115.700 0.064 0.000 2.559 170 S HA 0.000 4.472 4.470 0.003 0.000 0.226 170 S C 1.116 175.711 174.600 -0.009 0.000 1.000 170 S CA 0.014 58.232 58.200 0.029 0.000 0.948 170 S CB 0.257 63.471 63.200 0.024 0.000 0.870 170 S HN 0.683 8.993 8.310 0.000 0.000 0.497 171 S N 3.020 118.702 115.700 -0.031 0.000 2.930 171 S HA 0.214 4.685 4.470 0.003 0.000 0.257 171 S C -0.124 174.381 174.600 -0.157 0.000 1.208 171 S CA -0.130 58.021 58.200 -0.081 0.000 1.233 171 S CB -0.707 62.444 63.200 -0.082 0.000 0.900 171 S HN 0.368 8.678 8.310 0.000 0.000 0.472 172 T N 1.931 116.413 114.554 -0.120 0.000 2.900 172 T HA 0.624 4.975 4.350 0.003 0.000 0.303 172 T C -0.881 173.774 174.700 -0.074 0.000 1.142 172 T CA -0.942 61.072 62.100 -0.143 0.000 1.007 172 T CB 1.609 70.413 68.868 -0.107 0.000 1.156 172 T HN 0.151 8.391 8.240 0.000 0.000 0.490 173 R N 0.112 120.565 120.500 -0.079 0.000 2.707 173 R HA 0.680 5.021 4.340 0.003 0.000 0.272 173 R C -0.547 175.651 176.300 -0.170 0.000 1.011 173 R CA -0.886 55.127 56.100 -0.145 0.000 0.893 173 R CB 2.375 32.521 30.300 -0.257 0.000 1.233 173 R HN 0.876 9.146 8.270 0.000 0.000 0.464 174 G N 1.220 109.893 108.800 -0.212 0.000 2.388 174 G HA2 0.643 4.605 3.960 0.003 0.000 0.330 174 G HA3 0.643 4.605 3.960 0.003 0.000 0.330 174 G C -1.073 173.649 174.900 -0.296 0.000 1.142 174 G CA -0.281 44.737 45.100 -0.137 0.000 0.908 174 G HN 0.218 8.508 8.290 0.000 0.000 0.473 175 F N 0.964 120.903 119.950 -0.019 0.000 2.492 175 F HA 0.465 4.987 4.527 -0.008 0.000 0.327 175 F C -1.623 174.227 175.800 0.083 0.000 1.079 175 F CA -1.950 56.063 58.000 0.022 0.000 0.967 175 F CB 1.658 40.659 39.000 0.002 0.000 1.169 175 F HN 0.241 8.541 8.300 0.000 0.000 0.472 176 P HA 0.059 4.479 4.420 0.000 0.000 0.270 176 P C -0.906 176.544 177.300 0.251 0.000 1.216 176 P CA -0.042 63.183 63.100 0.208 0.000 0.788 176 P CB 0.400 32.199 31.700 0.164 0.000 0.883 177 S N -0.371 115.488 115.700 0.264 0.000 2.617 177 S HA 0.520 4.991 4.470 0.003 0.000 0.283 177 S C -0.227 174.518 174.600 0.242 0.000 1.189 177 S CA -0.753 57.640 58.200 0.321 0.000 1.036 177 S CB 1.086 64.551 63.200 0.441 0.000 1.014 177 S HN 0.379 8.689 8.310 0.000 0.000 0.522 178 V N 0.900 120.917 119.914 0.172 0.000 2.495 178 V HA 0.608 4.729 4.120 0.003 0.000 0.298 178 V C -0.522 175.488 176.094 -0.139 0.000 1.031 178 V CA -0.939 61.380 62.300 0.032 0.000 0.871 178 V CB 1.190 33.026 31.823 0.021 0.000 0.988 178 V HN 0.829 9.019 8.190 0.000 0.000 0.432 179 L N 5.434 126.494 121.223 -0.271 0.000 2.261 179 L HA 0.626 4.967 4.340 0.003 0.000 0.289 179 L C 0.112 176.828 176.870 -0.257 0.000 1.059 179 L CA -0.173 54.376 54.840 -0.485 0.000 0.816 179 L CB 0.325 42.059 42.059 -0.543 0.000 1.191 179 L HN 0.903 9.133 8.230 0.000 0.000 0.431 180 R N 3.782 124.142 120.500 -0.233 0.000 2.533 180 R HA 0.370 4.711 4.340 0.003 0.000 0.288 180 R C 0.443 176.686 176.300 -0.094 0.000 1.039 180 R CA 0.228 56.251 56.100 -0.127 0.000 0.909 180 R CB 1.717 31.957 30.300 -0.100 0.000 1.195 180 R HN 0.803 9.073 8.270 0.000 0.000 0.438 181 G N 2.038 110.832 108.800 -0.010 0.000 2.180 181 G HA2 -0.315 3.647 3.960 0.003 0.000 0.263 181 G HA3 -0.315 3.647 3.960 0.003 0.000 0.263 181 G C 0.751 175.815 174.900 0.273 0.000 0.989 181 G CA 0.779 45.951 45.100 0.121 0.000 0.692 181 G HN 1.502 9.792 8.290 0.000 0.000 0.526 182 G N -1.853 107.017 108.800 0.117 0.000 2.201 182 G HA2 -0.176 3.785 3.960 0.003 0.000 0.212 182 G HA3 -0.176 3.785 3.960 0.003 0.000 0.212 182 G C 0.258 175.178 174.900 0.032 0.000 0.994 182 G CA 0.973 46.197 45.100 0.207 0.000 0.644 182 G HN 0.960 9.250 8.290 0.000 0.000 0.508 183 K N -0.696 119.599 120.400 -0.175 0.000 2.306 183 K HA 0.717 5.038 4.320 0.003 0.000 0.236 183 K C -0.750 175.618 176.600 -0.387 0.000 1.013 183 K CA -0.916 55.215 56.287 -0.260 0.000 0.857 183 K CB 1.392 33.656 32.500 -0.393 0.000 1.214 183 K HN 0.065 8.315 8.250 0.000 0.000 0.449 184 Y N -0.189 119.722 120.300 -0.648 0.000 2.545 184 Y HA 0.661 5.212 4.550 0.001 0.000 0.324 184 Y C 0.010 175.426 175.900 -0.808 0.000 1.220 184 Y CA -0.594 57.068 58.100 -0.729 0.000 1.290 184 Y CB 1.856 39.818 38.460 -0.832 0.000 1.355 184 Y HN 0.655 8.935 8.280 0.000 0.000 0.516 185 A N 0.068 122.831 122.820 -0.095 0.000 2.608 185 A HA 0.933 5.255 4.320 0.003 0.000 0.292 185 A C -1.654 176.174 177.584 0.407 0.000 1.066 185 A CA -0.054 52.126 52.037 0.238 0.000 0.676 185 A CB 1.169 20.237 19.000 0.113 0.000 1.277 185 A HN 1.251 9.401 8.150 0.000 0.000 0.413 186 A N -0.237 122.879 122.820 0.494 0.000 2.564 186 A HA 0.980 5.301 4.320 0.003 0.000 0.291 186 A C -0.183 177.639 177.584 0.396 0.000 1.102 186 A CA 0.248 52.543 52.037 0.429 0.000 0.660 186 A CB 0.652 19.970 19.000 0.529 0.000 1.283 186 A HN 2.430 10.580 8.150 0.000 0.000 0.430 187 T N -2.179 112.474 114.554 0.166 0.000 2.724 187 T HA 0.877 5.229 4.350 0.003 0.000 0.274 187 T C -0.230 174.161 174.700 -0.514 0.000 0.984 187 T CA -0.229 61.819 62.100 -0.087 0.000 1.024 187 T CB 1.587 70.405 68.868 -0.083 0.000 1.320 187 T HN 2.004 10.244 8.240 0.000 0.000 0.555 188 S N 0.386 115.862 115.700 -0.374 0.000 2.586 188 S HA 0.406 4.878 4.470 0.003 0.000 0.296 188 S C -1.993 172.717 174.600 0.184 0.000 1.120 188 S CA -0.747 57.356 58.200 -0.163 0.000 0.927 188 S CB 0.918 63.774 63.200 -0.573 0.000 1.114 188 S HN 1.078 9.388 8.310 0.000 0.000 0.453 189 Q N 2.548 122.411 119.800 0.104 0.000 2.353 189 Q HA 0.798 5.139 4.340 0.003 0.000 0.268 189 Q C -0.609 175.169 176.000 -0.369 0.000 1.045 189 Q CA -1.086 54.671 55.803 -0.078 0.000 0.811 189 Q CB 1.769 30.490 28.738 -0.030 0.000 1.305 189 Q HN 0.502 8.772 8.270 0.000 0.000 0.447 190 V N 0.824 120.297 119.914 -0.735 0.000 2.539 190 V HA 0.648 4.769 4.120 0.003 0.000 0.292 190 V C -0.664 175.210 176.094 -0.367 0.000 1.045 190 V CA -0.889 60.991 62.300 -0.700 0.000 0.945 190 V CB 0.926 32.123 31.823 -1.044 0.000 0.993 190 V HN 0.726 8.916 8.190 0.000 0.000 0.464 191 L N 5.060 126.133 121.223 -0.251 0.000 2.329 191 L HA 0.751 5.092 4.340 0.003 0.000 0.279 191 L C -0.267 176.523 176.870 -0.133 0.000 1.014 191 L CA -0.009 54.739 54.840 -0.153 0.000 0.814 191 L CB 1.638 43.638 42.059 -0.097 0.000 1.257 191 L HN 0.648 8.878 8.230 0.000 0.000 0.424 192 L N 2.855 124.018 121.223 -0.101 0.000 2.415 192 L HA 0.613 4.955 4.340 0.003 0.000 0.256 192 L C -2.105 174.743 176.870 -0.036 0.000 1.010 192 L CA -1.778 53.020 54.840 -0.070 0.000 0.826 192 L CB 2.100 44.100 42.059 -0.098 0.000 1.405 192 L HN 0.468 8.698 8.230 0.000 0.000 0.410 193 P HA 0.032 4.452 4.420 0.000 0.000 0.264 193 P C 0.393 177.689 177.300 -0.006 0.000 1.193 193 P CA 0.090 63.187 63.100 -0.005 0.000 0.763 193 P CB 1.398 33.104 31.700 0.010 0.000 0.810 194 S N 2.866 118.562 115.700 -0.007 0.000 2.359 194 S HA -0.133 4.338 4.470 0.003 0.000 0.224 194 S C 0.835 175.436 174.600 0.000 0.000 1.035 194 S CA 0.989 59.185 58.200 -0.006 0.000 1.018 194 S CB -0.415 62.782 63.200 -0.005 0.000 0.876 194 S HN 0.456 8.766 8.310 0.000 0.000 0.448 195 K N 1.889 122.291 120.400 0.003 0.000 2.046 195 K HA 0.024 4.345 4.320 0.003 0.000 0.248 195 K C -0.537 176.070 176.600 0.011 0.000 1.123 195 K CA 0.295 56.586 56.287 0.007 0.000 1.145 195 K CB 0.077 32.581 32.500 0.007 0.000 1.028 195 K HN 0.395 8.645 8.250 0.000 0.000 0.354 196 D N -0.498 119.908 120.400 0.011 0.000 2.756 196 D HA -0.014 4.627 4.640 0.003 0.000 0.148 196 D C 0.124 176.433 176.300 0.015 0.000 1.444 196 D CA -0.102 53.907 54.000 0.015 0.000 1.556 196 D CB 0.227 41.036 40.800 0.014 0.000 1.646 196 D HN 0.205 8.575 8.370 0.000 0.000 0.205 202 D N -0.331 120.085 120.400 0.027 0.000 2.626 202 D HA 0.412 5.053 4.640 0.003 0.000 0.278 202 D C 0.025 176.346 176.300 0.035 0.000 1.211 202 D CA -0.345 53.666 54.000 0.019 0.000 0.903 202 D CB 2.524 43.325 40.800 0.000 0.000 1.408 202 D HN 0.096 8.466 8.370 0.000 0.000 0.454 203 E N -0.668 119.563 120.200 0.052 0.000 2.419 203 E HA 0.005 4.356 4.350 0.003 0.000 0.197 203 E C -0.078 176.619 176.600 0.162 0.000 0.920 203 E CA 0.128 56.610 56.400 0.137 0.000 1.085 203 E CB 0.516 30.371 29.700 0.259 0.000 1.084 203 E HN 0.613 8.973 8.360 0.000 0.000 0.490 204 H N -1.087 118.002 119.070 0.032 0.000 2.869 204 H HA 0.635 5.192 4.556 0.002 0.000 0.342 204 H C -0.982 174.370 175.328 0.040 0.000 1.250 204 H CA -0.950 55.120 56.048 0.036 0.000 1.217 204 H CB 1.591 31.370 29.762 0.029 0.000 1.917 204 H HN -0.000 8.280 8.280 0.000 0.000 0.586 205 V N 1.834 121.808 119.914 0.100 0.000 2.674 205 V HA 0.211 4.333 4.120 0.003 0.000 0.279 205 V C -0.674 175.511 176.094 0.151 0.000 1.051 205 V CA -0.632 61.705 62.300 0.062 0.000 0.912 205 V CB 0.703 32.533 31.823 0.011 0.000 1.044 205 V HN 0.718 8.908 8.190 0.000 0.000 0.464 206 V N 4.918 124.900 119.914 0.113 0.000 2.832 206 V HA -0.076 4.045 4.120 0.003 0.000 0.299 206 V C 0.749 176.765 176.094 -0.129 0.000 1.201 206 V CA 1.120 63.441 62.300 0.034 0.000 1.325 206 V CB 0.676 32.531 31.823 0.053 0.000 0.871 206 V HN 1.092 9.282 8.190 0.000 0.000 0.509 207 c N 7.485 125.903 118.600 -0.303 0.000 2.386 207 c HA 0.524 5.095 4.570 0.003 0.000 0.318 207 c C -0.030 173.838 174.090 -0.369 0.000 1.128 207 c CA -1.043 54.919 56.329 -0.613 0.000 1.438 207 c CB -0.441 41.569 42.510 -0.833 0.000 1.987 207 c HN 0.983 9.213 8.230 0.000 0.000 0.426 208 K N 4.426 124.657 120.400 -0.281 0.000 2.164 208 K HA 0.776 5.097 4.320 0.003 0.000 0.258 208 K C -0.366 176.104 176.600 -0.218 0.000 0.951 208 K CA -0.584 55.587 56.287 -0.194 0.000 0.844 208 K CB 1.971 34.408 32.500 -0.106 0.000 1.099 208 K HN 0.624 8.874 8.250 0.000 0.000 0.435 209 V N -1.154 118.603 119.914 -0.262 0.000 3.040 209 V HA 0.482 4.604 4.120 0.003 0.000 0.312 209 V C -1.199 174.748 176.094 -0.244 0.000 1.115 209 V CA -1.092 60.997 62.300 -0.351 0.000 0.998 209 V CB 1.902 33.360 31.823 -0.609 0.000 1.042 209 V HN 0.741 8.931 8.190 0.000 0.000 0.433 210 Q N 1.913 121.576 119.800 -0.228 0.000 2.342 210 Q HA 0.646 4.987 4.340 0.003 0.000 0.267 210 Q C -1.324 174.602 176.000 -0.122 0.000 1.038 210 Q CA -0.607 55.111 55.803 -0.143 0.000 0.832 210 Q CB 2.321 30.997 28.738 -0.103 0.000 1.323 210 Q HN 0.921 9.191 8.270 0.000 0.000 0.448 211 H N 1.497 120.451 119.070 -0.194 0.000 3.112 211 H HA 0.152 4.709 4.556 0.002 0.000 0.347 211 H C -2.390 172.873 175.328 -0.109 0.000 1.188 211 H CA -1.615 54.322 56.048 -0.184 0.000 1.240 211 H CB 2.334 31.948 29.762 -0.246 0.000 1.920 211 H HN 0.320 8.600 8.280 0.000 0.000 0.535 212 P HA -0.042 4.378 4.420 0.000 0.000 0.222 212 P C 0.492 177.805 177.300 0.022 0.000 1.142 212 P CA 1.169 64.156 63.100 -0.189 0.000 0.788 212 P CB 0.298 31.827 31.700 -0.286 0.000 0.767 213 N N -1.357 117.534 118.700 0.319 0.000 2.187 213 N HA 0.248 4.989 4.740 0.003 0.000 0.212 213 N C 0.196 175.783 175.510 0.128 0.000 1.152 213 N CA 0.249 53.447 53.050 0.246 0.000 0.872 213 N CB 0.965 39.628 38.487 0.294 0.000 1.025 213 N HN 0.071 8.451 8.380 0.000 0.000 0.514 214 G N 1.971 110.835 108.800 0.107 0.000 2.312 214 G HA2 -0.095 3.867 3.960 0.003 0.000 0.322 214 G HA3 -0.095 3.867 3.960 0.003 0.000 0.322 214 G C -1.890 172.994 174.900 -0.027 0.000 1.645 214 G CA -1.012 44.094 45.100 0.009 0.000 0.919 214 G HN 0.200 8.490 8.290 0.000 0.000 0.699 215 N N 1.135 119.804 118.700 -0.052 0.000 2.491 215 N HA 0.554 5.295 4.740 0.003 0.000 0.274 215 N C -0.788 174.661 175.510 -0.103 0.000 1.023 215 N CA -0.717 52.279 53.050 -0.089 0.000 0.902 215 N CB 2.698 41.139 38.487 -0.077 0.000 1.267 215 N HN 0.689 9.069 8.380 0.000 0.000 0.503 216 K N 1.185 121.502 120.400 -0.138 0.000 2.328 216 K HA 0.230 4.551 4.320 0.003 0.000 0.246 216 K C 0.160 176.666 176.600 -0.156 0.000 0.955 216 K CA -0.605 55.602 56.287 -0.133 0.000 0.817 216 K CB 2.306 34.724 32.500 -0.136 0.000 1.208 216 K HN 0.736 8.986 8.250 0.000 0.000 0.432 217 E N 1.929 122.050 120.200 -0.131 0.000 3.655 217 E HA 0.328 4.679 4.350 0.003 0.000 0.280 217 E C -0.531 175.971 176.600 -0.163 0.000 1.425 217 E CA -0.618 55.699 56.400 -0.138 0.000 1.341 217 E CB 0.789 30.434 29.700 -0.092 0.000 1.349 217 E HN 0.344 8.704 8.360 0.000 0.000 0.775 218 K N -1.849 118.461 120.400 -0.151 0.000 3.328 218 K HA 0.325 4.646 4.320 0.003 0.000 0.347 218 K C -1.863 174.673 176.600 -0.107 0.000 1.043 218 K CA -0.571 55.622 56.287 -0.158 0.000 0.775 218 K CB 0.824 33.193 32.500 -0.218 0.000 1.452 218 K HN 0.588 8.838 8.250 0.000 0.000 0.441 219 N N -0.460 118.188 118.700 -0.086 0.000 2.380 219 N HA 0.620 5.361 4.740 0.003 0.000 0.290 219 N C -1.603 173.912 175.510 0.009 0.000 1.236 219 N CA -0.565 52.489 53.050 0.008 0.000 0.780 219 N CB 2.227 40.716 38.487 0.004 0.000 1.438 219 N HN 0.146 8.526 8.380 0.000 0.000 0.491 220 V N 2.191 122.169 119.914 0.107 0.000 2.509 220 V HA 0.309 4.431 4.120 0.003 0.000 0.289 220 V C -2.501 173.698 176.094 0.176 0.000 1.026 220 V CA -1.437 60.946 62.300 0.138 0.000 0.872 220 V CB 2.023 33.977 31.823 0.219 0.000 1.017 220 V HN 0.496 8.686 8.190 0.000 0.000 0.436 221 P HA 0.309 4.729 4.420 0.000 0.000 0.276 221 P C -0.621 176.737 177.300 0.096 0.000 1.264 221 P CA -0.083 63.088 63.100 0.119 0.000 0.769 221 P CB 0.450 32.200 31.700 0.084 0.000 0.840 222 L N 3.628 124.898 121.223 0.078 0.000 2.322 222 L HA 0.804 5.145 4.340 0.003 0.000 0.279 222 L C -2.236 174.654 176.870 0.034 0.000 1.036 222 L CA -2.360 52.507 54.840 0.044 0.000 0.807 222 L CB 0.098 42.166 42.059 0.014 0.000 1.226 222 L HN 0.151 8.381 8.230 0.000 0.000 0.433 223 P HA 0.000 4.420 4.420 0.000 0.000 0.216 223 P CA 0.000 63.111 63.100 0.019 0.000 0.800 223 P CB 0.000 31.708 31.700 0.013 0.000 0.726