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 2kw5_1_A DATA FIRST_RESID 1 DATA SEQUENCE MWDERFSQSE YVYGTEPNDF LVSVANQIPQ GKILCLAEGE GRNACFLASL DATA SEQUENCE GYEVTAVDQS SVGLAKAKQL AQEKGVKITT VQSNLADFDI VADAWEGIVS DATA SEQUENCE IFCHLPSSLR QQLYPKVYQG LKPGGVFILE GFAPEQLQYN TGGPKDLDLL DATA SEQUENCE PKLETLQSEL PSLNWLIANN LERNLDEGAY HQGKAALIQL LGQKLEHHHH DATA SEQUENCE HH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.499 4.480 0.031 0.000 0.227 1 M C 0.000 176.300 176.300 0.001 0.000 1.140 1 M CA 0.000 55.291 55.300 -0.015 0.000 0.988 1 M CB 0.000 32.618 32.600 0.030 0.000 1.302 2 W N 2.668 123.973 121.300 0.009 0.000 2.289 2 W HA -0.175 4.489 4.660 0.008 0.000 0.328 2 W C -0.014 176.512 176.519 0.012 0.000 1.241 2 W CA 1.282 58.633 57.345 0.009 0.000 1.221 2 W CB 0.186 29.652 29.460 0.009 0.000 1.175 2 W HN 0.027 8.395 8.180 0.314 0.000 0.457 3 D N -3.104 117.465 120.400 0.281 0.000 2.734 3 D HA -0.067 4.651 4.640 0.129 0.000 0.224 3 D C -1.409 174.968 176.300 0.128 0.000 1.222 3 D CA 0.337 54.436 54.000 0.166 0.000 0.761 3 D CB 0.670 41.563 40.800 0.155 0.000 1.569 3 D HN -0.506 8.056 8.370 0.320 0.000 0.477 4 E N 2.457 122.718 120.200 0.101 0.000 2.176 4 E HA 0.129 4.525 4.350 0.078 0.000 0.267 4 E C -0.121 176.536 176.600 0.095 0.000 0.893 4 E CA -0.801 55.652 56.400 0.088 0.000 0.761 4 E CB 0.595 30.344 29.700 0.082 0.000 1.133 4 E HN 0.108 8.527 8.360 0.097 0.000 0.409 5 R N 4.844 125.392 120.500 0.081 0.000 2.389 5 R HA 0.073 4.480 4.340 0.111 0.000 0.295 5 R C -0.133 176.240 176.300 0.122 0.000 1.075 5 R CA -0.958 55.198 56.100 0.094 0.000 1.005 5 R CB -0.034 30.299 30.300 0.055 0.000 0.987 5 R HN 0.265 8.573 8.270 0.062 0.000 0.452 6 F N 5.643 125.603 119.950 0.016 0.000 2.490 6 F HA -0.034 4.502 4.527 0.015 0.000 0.357 6 F C 0.038 175.845 175.800 0.012 0.000 1.166 6 F CA -0.762 57.247 58.000 0.014 0.000 1.116 6 F CB 0.543 39.550 39.000 0.013 0.000 1.171 6 F HN 0.235 8.701 8.300 0.276 0.000 0.576 7 S N 7.070 122.558 115.700 -0.352 0.000 3.829 7 S HA -0.086 4.300 4.470 -0.140 0.000 0.250 7 S C 0.352 174.705 174.600 -0.411 0.000 1.263 7 S CA -0.288 57.746 58.200 -0.277 0.000 0.955 7 S CB -0.937 62.151 63.200 -0.186 0.000 1.611 7 S HN 0.435 8.541 8.310 -0.340 0.000 0.483 8 Q N 1.259 120.883 119.800 -0.293 0.000 2.269 8 Q HA -0.054 4.112 4.340 -0.289 0.000 0.201 8 Q C 1.037 176.999 176.000 -0.064 0.000 0.946 8 Q CA 1.040 56.750 55.803 -0.155 0.000 0.877 8 Q CB 0.265 29.090 28.738 0.146 0.000 0.963 8 Q HN -0.314 7.832 8.270 -0.138 0.041 0.472 9 S N 2.245 117.917 115.700 -0.047 0.000 2.700 9 S HA -0.073 4.396 4.470 -0.002 0.000 0.321 9 S C -0.193 174.392 174.600 -0.026 0.000 1.161 9 S CA 0.163 58.351 58.200 -0.019 0.000 1.078 9 S CB -0.567 62.626 63.200 -0.012 0.000 1.302 9 S HN -0.130 8.110 8.310 -0.056 0.037 0.540 10 E N 6.313 126.499 120.200 -0.024 0.000 2.371 10 E HA -0.025 4.297 4.350 -0.047 0.000 0.257 10 E C -1.219 175.399 176.600 0.029 0.000 1.134 10 E CA -0.310 56.070 56.400 -0.033 0.000 0.919 10 E CB 0.593 30.258 29.700 -0.059 0.000 1.025 10 E HN 0.178 8.526 8.360 -0.021 0.000 0.438 11 Y N 1.461 121.633 120.300 -0.214 0.000 2.379 11 Y HA 0.120 4.551 4.550 -0.199 0.000 0.342 11 Y C -2.179 173.404 175.900 -0.529 0.000 1.126 11 Y CA -0.384 57.547 58.100 -0.282 0.000 1.310 11 Y CB 0.587 38.915 38.460 -0.219 0.000 1.115 11 Y HN 0.076 8.290 8.280 -0.110 0.000 0.505 12 V N 6.976 126.496 119.914 -0.657 0.000 2.521 12 V HA -0.158 3.559 4.120 -0.672 0.000 0.286 12 V C -0.149 175.416 176.094 -0.882 0.000 1.034 12 V CA 0.251 62.154 62.300 -0.661 0.000 1.045 12 V CB 0.138 31.758 31.823 -0.338 0.000 0.974 12 V HN 0.084 8.025 8.190 -0.414 0.000 0.480 13 Y N 5.825 125.830 120.300 -0.493 0.000 2.480 13 Y HA -0.061 4.038 4.550 -0.752 0.000 0.341 13 Y C 1.012 176.689 175.900 -0.373 0.000 1.031 13 Y CA -0.101 57.699 58.100 -0.500 0.000 1.295 13 Y CB 0.000 38.257 38.460 -0.339 0.000 1.162 13 Y HN 0.020 7.962 8.280 -0.564 0.000 0.523 14 G N 6.539 115.217 108.800 -0.204 0.000 2.661 14 G HA2 -0.081 3.797 3.960 -0.138 0.000 0.292 14 G HA3 -0.081 3.824 3.960 -0.092 0.000 0.292 14 G C -1.081 173.743 174.900 -0.128 0.000 0.781 14 G CA 0.125 45.146 45.100 -0.132 0.000 1.860 14 G HN 0.328 8.461 8.290 -0.262 0.000 0.512 15 T N 3.410 117.864 114.554 -0.168 0.000 2.886 15 T HA 0.233 4.440 4.350 -0.238 0.000 0.292 15 T C -0.810 173.800 174.700 -0.150 0.000 1.012 15 T CA -1.176 60.770 62.100 -0.258 0.000 0.982 15 T CB 2.924 71.481 68.868 -0.518 0.000 1.018 15 T HN -0.633 7.495 8.240 -0.151 0.021 0.451 16 E N 4.945 125.105 120.200 -0.066 0.000 2.351 16 E HA 0.134 4.497 4.350 0.022 0.000 0.266 16 E C -1.649 175.028 176.600 0.128 0.000 1.031 16 E CA -0.942 55.488 56.400 0.050 0.000 0.911 16 E CB -0.244 29.519 29.700 0.104 0.000 0.986 16 E HN 0.146 8.459 8.360 -0.080 0.000 0.446 17 P HA -0.118 4.372 4.420 0.116 0.000 0.260 17 P C -1.917 175.477 177.300 0.156 0.000 1.185 17 P CA 0.281 63.448 63.100 0.112 0.000 0.763 17 P CB 0.532 32.269 31.700 0.062 0.000 0.776 18 N N 3.921 122.743 118.700 0.203 0.000 2.272 18 N HA 0.064 4.869 4.740 0.108 0.000 0.305 18 N C -0.211 175.354 175.510 0.092 0.000 1.103 18 N CA -0.917 52.215 53.050 0.137 0.000 0.791 18 N CB 2.286 40.816 38.487 0.072 0.000 1.356 18 N HN -0.163 8.355 8.380 0.230 0.000 0.486 19 D N 3.634 124.080 120.400 0.077 0.000 2.087 19 D HA -0.104 4.586 4.640 0.084 0.000 0.203 19 D C 1.678 178.050 176.300 0.120 0.000 0.976 19 D CA 2.855 56.912 54.000 0.095 0.000 0.865 19 D CB 0.130 40.990 40.800 0.100 0.000 1.005 19 D HN 0.287 8.699 8.370 0.070 0.000 0.449 20 F N 0.710 120.654 119.950 -0.009 0.000 2.128 20 F HA -0.132 4.401 4.527 0.010 0.000 0.295 20 F C 1.199 176.988 175.800 -0.018 0.000 1.100 20 F CA 1.964 59.961 58.000 -0.006 0.000 1.260 20 F CB 0.379 39.376 39.000 -0.006 0.000 1.009 20 F HN -0.430 8.064 8.300 0.239 -0.051 0.476 21 L N -1.640 119.391 121.223 -0.320 0.000 2.353 21 L HA -0.210 3.665 4.340 -0.776 0.000 0.220 21 L C 0.775 177.476 176.870 -0.281 0.000 1.133 21 L CA 1.967 56.501 54.840 -0.511 0.000 0.798 21 L CB -0.231 41.459 42.059 -0.614 0.000 0.922 21 L HN -0.469 7.935 8.230 -0.100 -0.233 0.445 22 V N -5.553 114.304 119.914 -0.096 0.000 2.951 22 V HA -0.179 4.066 4.120 0.208 0.000 0.255 22 V C 1.315 177.411 176.094 0.003 0.000 1.088 22 V CA 2.852 65.199 62.300 0.078 0.000 1.109 22 V CB -0.862 31.042 31.823 0.136 0.000 0.724 22 V HN -0.672 7.376 8.190 -0.109 0.077 0.471 23 S N 1.516 117.162 115.700 -0.090 0.000 2.355 23 S HA -0.250 4.215 4.470 -0.009 0.000 0.222 23 S C 2.104 176.653 174.600 -0.085 0.000 1.031 23 S CA 3.623 61.782 58.200 -0.067 0.000 0.993 23 S CB 0.119 63.284 63.200 -0.059 0.000 0.859 23 S HN -0.367 7.849 8.310 -0.157 0.000 0.453 24 V N -0.563 119.226 119.914 -0.209 0.000 2.343 24 V HA -0.303 3.769 4.120 -0.080 0.000 0.247 24 V C 1.431 177.502 176.094 -0.038 0.000 1.051 24 V CA 2.730 64.942 62.300 -0.147 0.000 1.036 24 V CB -1.266 30.397 31.823 -0.267 0.000 0.654 24 V HN -0.810 7.146 8.190 -0.390 0.000 0.451 25 A N -0.641 122.184 122.820 0.008 0.000 1.940 25 A HA -0.360 4.065 4.320 0.175 0.000 0.219 25 A C 0.869 178.542 177.584 0.149 0.000 1.176 25 A CA 2.846 54.973 52.037 0.150 0.000 0.631 25 A CB -0.617 18.527 19.000 0.240 0.000 0.814 25 A HN -0.554 7.567 8.150 -0.048 0.000 0.446 26 N N -4.862 113.890 118.700 0.086 0.000 2.309 26 N HA -0.264 4.537 4.740 0.102 0.000 0.182 26 N C 1.008 176.536 175.510 0.029 0.000 1.018 26 N CA 2.002 55.093 53.050 0.069 0.000 0.876 26 N CB 0.373 38.890 38.487 0.051 0.000 0.972 26 N HN -0.518 7.788 8.380 0.056 0.107 0.434 27 Q N -3.200 116.607 119.800 0.013 0.000 2.212 27 Q HA -0.074 4.264 4.340 -0.003 0.000 0.199 27 Q C 0.783 176.764 176.000 -0.032 0.000 0.950 27 Q CA 0.215 56.015 55.803 -0.005 0.000 0.863 27 Q CB 0.932 29.672 28.738 0.003 0.000 0.944 27 Q HN -0.767 7.349 8.270 0.014 0.163 0.465 28 I N 1.891 122.439 120.570 -0.037 0.000 2.556 28 I HA -0.100 4.025 4.170 -0.076 0.000 0.284 28 I C -2.134 173.862 176.117 -0.202 0.000 1.114 28 I CA -1.404 59.843 61.300 -0.089 0.000 1.418 28 I CB -0.504 37.464 38.000 -0.052 0.000 1.394 28 I HN -0.700 7.398 8.210 -0.003 0.110 0.552 29 P HA 0.012 4.305 4.420 -0.211 0.000 0.266 29 P C 0.040 177.056 177.300 -0.474 0.000 1.195 29 P CA -0.081 62.870 63.100 -0.247 0.000 0.768 29 P CB 0.388 31.999 31.700 -0.148 0.000 0.838 30 Q N 2.431 121.909 119.800 -0.538 0.000 2.362 30 Q HA -0.140 3.104 4.340 -1.826 0.000 0.215 30 Q C -0.586 175.221 176.000 -0.321 0.000 0.944 30 Q CA 0.428 55.776 55.803 -0.759 0.000 0.964 30 Q CB -1.517 27.025 28.738 -0.327 0.000 0.998 30 Q HN 0.442 8.497 8.270 -0.358 0.000 0.488 31 G N 0.078 108.739 108.800 -0.232 0.000 3.341 31 G HA2 0.195 4.134 3.960 -0.036 0.000 0.177 31 G HA3 0.195 4.346 3.960 -0.058 -0.226 0.177 31 G C -1.905 172.981 174.900 -0.023 0.000 1.236 31 G CA -0.964 44.091 45.100 -0.076 0.000 0.888 31 G HN -0.334 7.658 8.290 -0.288 0.126 0.644 32 K N 1.803 122.220 120.400 0.028 0.000 2.284 32 K HA 0.520 5.172 4.320 0.081 -0.283 0.287 32 K C -0.817 175.817 176.600 0.057 0.000 1.081 32 K CA -1.071 55.269 56.287 0.089 0.000 0.910 32 K CB -0.355 32.258 32.500 0.188 0.000 1.088 32 K HN -0.466 8.002 8.250 0.029 -0.201 0.478 33 I N 5.017 125.586 120.570 -0.001 0.000 2.355 33 I HA 0.143 4.346 4.170 -0.062 -0.070 0.288 33 I C -1.691 174.330 176.117 -0.160 0.000 0.999 33 I CA -1.078 60.186 61.300 -0.060 0.000 1.163 33 I CB 1.825 39.812 38.000 -0.022 0.000 1.316 33 I HN 0.534 8.753 8.210 0.014 0.000 0.454 34 L N 9.614 130.676 121.223 -0.267 0.000 2.261 34 L HA 0.672 4.914 4.340 -0.550 -0.232 0.289 34 L C -0.848 175.846 176.870 -0.294 0.000 1.059 34 L CA -1.497 53.064 54.840 -0.465 0.000 0.816 34 L CB 1.032 42.633 42.059 -0.764 0.000 1.191 34 L HN 0.297 8.293 8.230 -0.206 0.110 0.431 35 C N 8.234 127.393 119.300 -0.236 0.000 2.388 35 C HA 0.804 5.477 4.460 -0.130 -0.290 0.362 35 C C -0.160 174.739 174.990 -0.152 0.000 1.266 35 C CA -1.641 57.287 59.018 -0.151 0.000 2.028 35 C CB 0.568 28.249 27.740 -0.098 0.000 2.440 35 C HN 0.840 8.915 8.230 -0.259 0.000 0.547 36 L N 3.073 124.226 121.223 -0.118 0.000 2.439 36 L HA 0.139 4.421 4.340 -0.096 0.000 0.259 36 L C 0.036 176.882 176.870 -0.038 0.000 1.129 36 L CA -1.253 53.537 54.840 -0.084 0.000 0.803 36 L CB 1.051 43.062 42.059 -0.081 0.000 1.161 36 L HN -0.593 7.571 8.230 -0.111 0.000 0.462 37 A N 0.115 122.928 122.820 -0.012 0.000 2.573 37 A HA -0.242 4.323 4.320 0.005 -0.242 0.250 37 A C -0.696 176.910 177.584 0.037 0.000 1.049 37 A CA 0.960 53.005 52.037 0.014 0.000 0.767 37 A CB -0.112 18.904 19.000 0.027 0.000 0.965 37 A HN 0.118 8.259 8.150 -0.016 0.000 0.514 38 E N 4.425 124.641 120.200 0.027 0.000 2.363 38 E HA 0.206 4.614 4.350 0.096 0.000 0.281 38 E C -0.119 176.496 176.600 0.025 0.000 0.953 38 E CA -0.751 55.676 56.400 0.045 0.000 0.778 38 E CB 4.028 33.726 29.700 -0.004 0.000 1.220 38 E HN -0.625 7.934 8.360 0.013 -0.190 0.431 39 G N 3.202 112.014 108.800 0.021 0.000 2.462 39 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 39 G HA3 -0.214 3.737 3.960 -0.015 0.000 0.220 39 G C 0.075 174.990 174.900 0.025 0.000 1.121 39 G CA 1.310 46.413 45.100 0.006 0.000 0.758 39 G HN 0.538 8.841 8.290 0.023 0.000 0.559 40 E N 0.693 120.918 120.200 0.041 0.000 2.489 40 E HA 0.287 4.657 4.350 0.033 0.000 0.232 40 E C 0.051 176.656 176.600 0.008 0.000 0.990 40 E CA -1.203 55.220 56.400 0.038 0.000 0.768 40 E CB 0.352 30.096 29.700 0.072 0.000 1.270 40 E HN -0.712 7.921 8.360 0.054 -0.241 0.423 41 G N 1.819 110.622 108.800 0.006 0.000 3.327 41 G HA2 0.036 3.985 3.960 -0.018 0.000 0.240 41 G HA3 0.036 3.995 3.960 -0.001 0.000 0.240 41 G C -0.282 174.626 174.900 0.014 0.000 1.222 41 G CA -0.167 44.932 45.100 -0.002 0.000 0.871 41 G HN 0.365 8.662 8.290 0.012 0.000 0.525 42 R N -0.104 120.410 120.500 0.024 0.000 2.115 42 R HA -0.258 4.111 4.340 0.048 0.000 0.230 42 R C 0.639 176.976 176.300 0.062 0.000 1.111 42 R CA 2.582 58.709 56.100 0.044 0.000 0.976 42 R CB -0.123 30.206 30.300 0.047 0.000 0.870 42 R HN 0.163 8.330 8.270 0.022 0.116 0.445 43 N N -0.824 117.889 118.700 0.023 0.000 2.223 43 N HA -0.257 4.478 4.740 -0.009 0.000 0.185 43 N C 1.309 176.865 175.510 0.077 0.000 1.016 43 N CA 2.845 55.900 53.050 0.007 0.000 0.863 43 N CB -0.821 37.625 38.487 -0.068 0.000 0.983 43 N HN -0.299 8.061 8.380 0.002 0.020 0.429 44 A N 0.360 123.207 122.820 0.044 0.000 1.877 44 A HA -0.195 4.148 4.320 0.038 0.000 0.216 44 A C 1.771 179.392 177.584 0.062 0.000 1.186 44 A CA 2.950 55.011 52.037 0.040 0.000 0.620 44 A CB -0.556 18.448 19.000 0.006 0.000 0.822 44 A HN -0.695 7.325 8.150 0.023 0.144 0.443 45 C N -3.000 116.339 119.300 0.066 0.000 2.432 45 C HA -0.287 4.188 4.460 0.026 0.000 0.280 45 C C 1.851 176.877 174.990 0.060 0.000 1.353 45 C CA 3.649 62.697 59.018 0.052 0.000 1.766 45 C CB -1.633 26.136 27.740 0.049 0.000 1.924 45 C HN -0.445 7.821 8.230 0.061 0.000 0.509 46 F N 3.088 123.014 119.950 -0.040 0.000 2.102 46 F HA -0.269 4.224 4.527 -0.056 0.000 0.298 46 F C 1.517 177.250 175.800 -0.112 0.000 1.105 46 F CA 3.975 61.939 58.000 -0.059 0.000 1.239 46 F CB 0.195 39.172 39.000 -0.040 0.000 0.991 46 F HN -0.634 7.792 8.300 0.238 0.017 0.474 47 L N -3.376 117.947 121.223 0.165 0.000 2.141 47 L HA -0.451 3.872 4.340 -0.030 0.000 0.209 47 L C 1.899 178.674 176.870 -0.158 0.000 1.094 47 L CA 2.514 57.376 54.840 0.037 0.000 0.763 47 L CB -0.696 41.467 42.059 0.174 0.000 0.908 47 L HN -0.471 7.827 8.230 0.248 0.081 0.437 48 A N -1.178 121.591 122.820 -0.085 0.000 1.930 48 A HA 0.027 4.570 4.320 -0.051 -0.253 0.217 48 A C 2.429 179.903 177.584 -0.184 0.000 1.175 48 A CA 2.396 54.378 52.037 -0.090 0.000 0.627 48 A CB -0.124 18.861 19.000 -0.025 0.000 0.815 48 A HN -0.187 7.854 8.150 -0.019 0.098 0.443 49 S N -1.560 114.005 115.700 -0.225 0.000 2.555 49 S HA -0.239 4.159 4.470 -0.120 0.000 0.230 49 S C 1.141 175.510 174.600 -0.385 0.000 0.978 49 S CA 2.051 60.111 58.200 -0.234 0.000 0.934 49 S CB -0.233 62.836 63.200 -0.218 0.000 0.766 49 S HN -0.248 7.944 8.310 -0.196 0.000 0.533 50 L N -1.924 118.894 121.223 -0.676 0.000 2.627 50 L HA -0.051 3.798 4.340 -0.818 0.000 0.233 50 L C 0.448 176.387 176.870 -1.550 0.000 1.144 50 L CA -0.062 54.106 54.840 -1.120 0.000 0.892 50 L CB -0.877 40.265 42.059 -1.528 0.000 1.039 50 L HN -0.987 6.696 8.230 -0.629 0.169 0.442 51 G N -3.210 105.103 108.800 -0.812 0.000 2.159 51 G HA2 -0.391 3.519 3.960 -0.084 0.000 0.256 51 G HA3 -0.391 3.147 3.960 -0.704 0.000 0.256 51 G C -0.222 174.627 174.900 -0.084 0.000 0.977 51 G CA 0.336 45.179 45.100 -0.428 0.000 0.652 51 G HN -0.441 7.374 8.290 -0.490 0.181 0.531 52 Y N -0.814 119.353 120.300 -0.221 0.000 2.310 52 Y HA -0.029 4.458 4.550 -0.105 0.000 0.326 52 Y C 0.069 175.931 175.900 -0.064 0.000 1.151 52 Y CA -3.573 54.452 58.100 -0.124 0.000 1.195 52 Y CB 0.492 38.881 38.460 -0.118 0.000 1.210 52 Y HN -0.893 7.099 8.280 -0.385 0.056 0.483 53 E N 2.760 123.034 120.200 0.122 0.000 1.932 53 E HA 0.140 4.529 4.350 0.065 0.000 0.275 53 E C -1.300 175.341 176.600 0.069 0.000 1.159 53 E CA -0.338 56.109 56.400 0.079 0.000 0.905 53 E CB -0.122 29.621 29.700 0.073 0.000 1.059 53 E HN 0.115 8.543 8.360 0.114 0.000 0.400 54 V N 7.069 127.015 119.914 0.052 0.000 2.407 54 V HA 0.111 4.371 4.120 0.010 -0.135 0.278 54 V C -0.850 175.238 176.094 -0.010 0.000 1.037 54 V CA -0.803 61.508 62.300 0.020 0.000 0.900 54 V CB 1.269 33.108 31.823 0.026 0.000 0.983 54 V HN 0.030 8.248 8.190 0.048 0.000 0.459 55 T N 8.662 123.170 114.554 -0.076 0.000 2.788 55 T HA 0.347 4.895 4.350 -0.049 -0.227 0.296 55 T C -1.976 172.605 174.700 -0.198 0.000 1.009 55 T CA -1.943 60.079 62.100 -0.131 0.000 0.949 55 T CB 0.593 69.329 68.868 -0.221 0.000 0.946 55 T HN 0.626 8.695 8.240 -0.108 0.107 0.453 56 A N 8.704 131.459 122.820 -0.109 0.000 2.305 56 A HA 0.444 4.798 4.320 -0.127 -0.110 0.322 56 A C -2.304 175.236 177.584 -0.074 0.000 1.187 56 A CA -2.169 49.812 52.037 -0.094 0.000 0.825 56 A CB 2.164 21.137 19.000 -0.046 0.000 1.164 56 A HN 0.503 8.615 8.150 -0.063 0.000 0.498 57 V N 3.250 123.118 119.914 -0.077 0.000 2.532 57 V HA 0.856 5.250 4.120 0.003 -0.272 0.295 57 V C -0.722 175.366 176.094 -0.010 0.000 1.041 57 V CA -1.417 60.868 62.300 -0.025 0.000 0.926 57 V CB 1.867 33.680 31.823 -0.016 0.000 0.992 57 V HN 0.363 8.377 8.190 -0.103 0.114 0.457 58 D N 4.366 124.774 120.400 0.012 0.000 2.927 58 D HA 0.198 4.847 4.640 0.015 0.000 0.219 58 D C -0.887 175.429 176.300 0.026 0.000 1.248 58 D CA -0.957 53.053 54.000 0.016 0.000 0.861 58 D CB 4.024 44.831 40.800 0.011 0.000 1.677 58 D HN -0.120 8.262 8.370 0.021 0.000 0.511 59 Q N 1.056 120.873 119.800 0.028 0.000 2.437 59 Q HA -0.107 4.378 4.340 0.037 -0.124 0.210 59 Q C -0.044 175.970 176.000 0.023 0.000 0.972 59 Q CA 1.592 57.413 55.803 0.030 0.000 0.903 59 Q CB 0.525 29.282 28.738 0.031 0.000 0.967 59 Q HN 0.364 8.651 8.270 0.027 0.000 0.486 60 S N -0.387 115.324 115.700 0.019 0.000 2.503 60 S HA 0.255 4.733 4.470 0.015 0.000 0.301 60 S C -0.451 174.158 174.600 0.014 0.000 1.087 60 S CA -1.106 57.103 58.200 0.015 0.000 1.042 60 S CB 2.094 65.302 63.200 0.012 0.000 1.043 60 S HN -0.422 8.110 8.310 0.020 -0.210 0.489 61 S N 4.466 120.173 115.700 0.012 0.000 2.453 61 S HA -0.170 4.308 4.470 0.013 0.000 0.231 61 S C 1.442 176.048 174.600 0.011 0.000 1.005 61 S CA 2.767 60.974 58.200 0.012 0.000 0.949 61 S CB -0.277 62.929 63.200 0.010 0.000 0.774 61 S HN 0.656 8.973 8.310 0.012 0.000 0.510 62 V N -1.031 118.889 119.914 0.010 0.000 2.407 62 V HA -0.197 3.929 4.120 0.009 0.000 0.248 62 V C 1.606 177.706 176.094 0.010 0.000 1.055 62 V CA 3.244 65.549 62.300 0.009 0.000 1.049 62 V CB -1.309 30.518 31.823 0.008 0.000 0.662 62 V HN -0.281 7.884 8.190 0.010 0.030 0.455 63 G N -0.915 107.891 108.800 0.010 0.000 2.394 63 G HA2 -0.205 3.761 3.960 0.011 0.000 0.215 63 G HA3 -0.205 3.760 3.960 0.009 0.000 0.215 63 G C 1.078 175.983 174.900 0.010 0.000 1.165 63 G CA 1.604 46.710 45.100 0.010 0.000 0.784 63 G HN -0.693 7.603 8.290 0.010 0.000 0.535 64 L N 1.768 122.997 121.223 0.010 0.000 2.005 64 L HA -0.362 3.982 4.340 0.007 0.000 0.207 64 L C 2.047 178.924 176.870 0.011 0.000 1.072 64 L CA 2.743 57.589 54.840 0.010 0.000 0.744 64 L CB -0.267 41.799 42.059 0.012 0.000 0.895 64 L HN -0.824 7.413 8.230 0.011 0.000 0.433 65 A N -2.670 120.157 122.820 0.012 0.000 1.972 65 A HA -0.372 3.956 4.320 0.012 0.000 0.219 65 A C 1.630 179.222 177.584 0.013 0.000 1.169 65 A CA 3.193 55.237 52.037 0.012 0.000 0.635 65 A CB -0.853 18.154 19.000 0.011 0.000 0.810 65 A HN 0.218 8.374 8.150 0.011 0.000 0.446 66 K N -1.083 119.325 120.400 0.014 0.000 2.062 66 K HA -0.258 4.071 4.320 0.016 0.000 0.205 66 K C 1.858 178.468 176.600 0.018 0.000 1.051 66 K CA 2.797 59.094 56.287 0.016 0.000 0.941 66 K CB -0.071 32.439 32.500 0.016 0.000 0.719 66 K HN -0.643 7.599 8.250 0.013 0.016 0.440 67 A N -0.875 121.954 122.820 0.016 0.000 1.933 67 A HA -0.154 4.179 4.320 0.021 0.000 0.218 67 A C 1.826 179.420 177.584 0.017 0.000 1.175 67 A CA 2.862 54.909 52.037 0.017 0.000 0.628 67 A CB -0.389 18.617 19.000 0.011 0.000 0.814 67 A HN -0.210 7.949 8.150 0.014 0.000 0.444 68 K N -2.055 118.354 120.400 0.015 0.000 2.167 68 K HA -0.284 4.045 4.320 0.015 0.000 0.203 68 K C 1.928 178.538 176.600 0.015 0.000 1.052 68 K CA 2.695 58.990 56.287 0.015 0.000 0.956 68 K CB -0.005 32.504 32.500 0.014 0.000 0.735 68 K HN -0.146 8.112 8.250 0.014 0.000 0.451 69 Q N 0.190 120.000 119.800 0.016 0.000 2.020 69 Q HA -0.270 4.079 4.340 0.014 0.000 0.202 69 Q C 2.284 178.295 176.000 0.018 0.000 0.982 69 Q CA 2.723 58.536 55.803 0.016 0.000 0.838 69 Q CB -0.453 28.295 28.738 0.016 0.000 0.899 69 Q HN -0.298 7.877 8.270 0.015 0.104 0.423 70 L N -1.252 119.984 121.223 0.021 0.000 2.201 70 L HA -0.124 4.230 4.340 0.024 0.000 0.212 70 L C 1.418 178.301 176.870 0.021 0.000 1.105 70 L CA 1.917 56.771 54.840 0.024 0.000 0.775 70 L CB -0.550 41.528 42.059 0.032 0.000 0.913 70 L HN -0.385 7.858 8.230 0.021 0.000 0.440 71 A N -0.758 122.073 122.820 0.019 0.000 1.845 71 A HA -0.431 3.897 4.320 0.013 0.000 0.215 71 A C 2.077 179.670 177.584 0.014 0.000 1.195 71 A CA 3.107 55.153 52.037 0.015 0.000 0.616 71 A CB -0.856 18.153 19.000 0.015 0.000 0.832 71 A HN -0.520 7.511 8.150 0.019 0.130 0.443 72 Q N -1.965 117.844 119.800 0.015 0.000 2.124 72 Q HA -0.379 3.969 4.340 0.013 0.000 0.202 72 Q C 2.592 178.600 176.000 0.014 0.000 0.977 72 Q CA 2.805 58.616 55.803 0.014 0.000 0.850 72 Q CB 0.115 28.860 28.738 0.013 0.000 0.901 72 Q HN -0.462 7.817 8.270 0.015 0.000 0.429 73 E N -1.583 118.626 120.200 0.015 0.000 2.208 73 E HA -0.199 4.160 4.350 0.015 0.000 0.193 73 E C 0.942 177.552 176.600 0.016 0.000 0.988 73 E CA 1.844 58.253 56.400 0.016 0.000 0.828 73 E CB 0.095 29.806 29.700 0.018 0.000 0.763 73 E HN -0.539 7.813 8.360 0.016 0.017 0.478 74 K N -2.420 117.989 120.400 0.016 0.000 2.358 74 K HA 0.040 4.368 4.320 0.013 0.000 0.197 74 K C 0.011 176.622 176.600 0.018 0.000 1.025 74 K CA -0.550 55.745 56.287 0.013 0.000 1.104 74 K CB 0.804 33.307 32.500 0.006 0.000 0.855 74 K HN -0.615 7.493 8.250 0.015 0.152 0.531 75 G N -0.359 108.453 108.800 0.020 0.000 2.160 75 G HA2 -0.287 3.685 3.960 0.019 0.000 0.244 75 G HA3 -0.287 3.693 3.960 0.033 0.000 0.244 75 G C -0.499 174.417 174.900 0.025 0.000 1.022 75 G CA 0.549 45.664 45.100 0.025 0.000 0.741 75 G HN -0.531 7.591 8.290 0.017 0.177 0.508 76 V N -7.373 112.552 119.914 0.017 0.000 3.141 76 V HA 0.363 4.495 4.120 0.019 0.000 0.312 76 V C -1.804 174.297 176.094 0.013 0.000 1.157 76 V CA -3.031 59.277 62.300 0.013 0.000 1.041 76 V CB 3.572 35.394 31.823 -0.002 0.000 1.071 76 V HN -0.367 7.728 8.190 0.015 0.104 0.441 77 K N 1.629 122.037 120.400 0.014 0.000 2.221 77 K HA 0.174 4.504 4.320 0.017 0.000 0.258 77 K C -1.333 175.279 176.600 0.020 0.000 0.944 77 K CA -0.871 55.427 56.287 0.019 0.000 0.823 77 K CB 1.485 33.999 32.500 0.023 0.000 1.113 77 K HN 0.140 8.398 8.250 0.013 0.000 0.431 78 I N 3.223 123.805 120.570 0.020 0.000 2.863 78 I HA 0.868 5.273 4.170 0.018 -0.224 0.311 78 I C 0.359 176.494 176.117 0.029 0.000 1.026 78 I CA -3.574 57.738 61.300 0.019 0.000 1.077 78 I CB 1.959 39.967 38.000 0.012 0.000 1.262 78 I HN 0.251 8.472 8.210 0.020 0.000 0.461 79 T N 6.540 121.113 114.554 0.031 0.000 2.788 79 T HA 0.204 4.587 4.350 0.055 0.000 0.296 79 T C -1.041 173.682 174.700 0.038 0.000 1.009 79 T CA -0.852 61.280 62.100 0.054 0.000 0.949 79 T CB 1.128 70.060 68.868 0.107 0.000 0.946 79 T HN 0.185 8.434 8.240 0.015 0.000 0.453 80 T N 9.426 124.004 114.554 0.040 0.000 2.727 80 T HA 0.080 4.440 4.350 0.016 0.000 0.295 80 T C -0.634 174.093 174.700 0.045 0.000 0.915 80 T CA 0.951 63.068 62.100 0.029 0.000 1.066 80 T CB -0.038 68.845 68.868 0.024 0.000 0.891 80 T HN 0.398 8.664 8.240 0.043 0.000 0.516 81 V N 7.872 127.812 119.914 0.043 0.000 2.398 81 V HA 0.178 4.345 4.120 0.079 0.000 0.286 81 V C -1.930 174.197 176.094 0.056 0.000 1.026 81 V CA -0.703 61.640 62.300 0.073 0.000 0.868 81 V CB 1.856 33.750 31.823 0.118 0.000 0.982 81 V HN 0.785 8.986 8.190 0.019 0.000 0.443 82 Q N 7.598 127.427 119.800 0.049 0.000 2.462 82 Q HA 0.306 4.875 4.340 0.043 -0.204 0.247 82 Q C -1.349 174.685 176.000 0.057 0.000 1.044 82 Q CA -0.832 54.997 55.803 0.042 0.000 0.803 82 Q CB 0.605 29.358 28.738 0.025 0.000 1.190 82 Q HN 0.512 8.806 8.270 0.039 0.000 0.507 83 S N 4.124 119.881 115.700 0.094 0.000 2.806 83 S HA 0.570 5.106 4.470 0.110 0.000 0.306 83 S C -2.357 172.313 174.600 0.118 0.000 1.167 83 S CA -1.527 56.761 58.200 0.146 0.000 0.847 83 S CB 3.309 66.711 63.200 0.337 0.000 1.216 83 S HN 0.115 8.476 8.310 0.085 0.000 0.532 84 N N -0.326 118.456 118.700 0.137 0.000 2.336 84 N HA 0.396 5.174 4.740 0.062 0.000 0.290 84 N C 0.001 175.554 175.510 0.072 0.000 1.058 84 N CA -0.537 52.563 53.050 0.084 0.000 0.865 84 N CB 2.289 40.819 38.487 0.072 0.000 1.581 84 N HN -0.178 8.327 8.380 0.207 0.000 0.480 85 L N 2.308 123.551 121.223 0.034 0.000 2.622 85 L HA -0.030 4.303 4.340 -0.011 0.000 0.233 85 L C 0.397 177.267 176.870 -0.001 0.000 1.156 85 L CA 1.496 56.337 54.840 0.001 0.000 0.866 85 L CB -0.607 41.444 42.059 -0.014 0.000 0.980 85 L HN 0.100 8.524 8.230 0.031 -0.174 0.448 86 A N -3.655 119.177 122.820 0.020 0.000 2.348 86 A HA 0.069 4.394 4.320 0.009 0.000 0.224 86 A C -0.330 177.278 177.584 0.041 0.000 1.227 86 A CA 0.530 52.580 52.037 0.021 0.000 0.885 86 A CB 0.232 19.244 19.000 0.020 0.000 0.933 86 A HN -0.521 7.805 8.150 0.032 -0.157 0.506 87 D N -0.951 119.489 120.400 0.068 0.000 2.017 87 D HA 0.115 4.805 4.640 0.083 0.000 0.336 87 D C -1.202 175.210 176.300 0.187 0.000 1.104 87 D CA 1.283 55.346 54.000 0.106 0.000 0.965 87 D CB 3.831 44.694 40.800 0.104 0.000 1.864 87 D HN -0.299 8.050 8.370 0.068 0.063 0.538 88 F N -0.121 119.850 119.950 0.036 0.000 2.787 88 F HA 0.356 4.922 4.527 0.065 0.000 0.340 88 F C -2.723 173.108 175.800 0.051 0.000 1.232 88 F CA -0.848 57.187 58.000 0.059 0.000 1.051 88 F CB 2.725 41.770 39.000 0.075 0.000 1.330 88 F HN -0.081 8.333 8.300 0.189 0.000 0.522 89 D N 5.710 125.904 120.400 -0.344 0.000 3.001 89 D HA 0.077 4.651 4.640 -0.111 0.000 0.183 89 D C -1.121 174.972 176.300 -0.346 0.000 1.502 89 D CA 0.324 54.190 54.000 -0.224 0.000 1.490 89 D CB 1.818 42.538 40.800 -0.133 0.000 1.274 89 D HN 0.010 8.035 8.370 -0.575 0.000 0.269 90 I N -4.321 116.055 120.570 -0.322 0.000 2.497 90 I HA 0.351 4.354 4.170 -0.277 0.000 0.284 90 I C -2.217 173.806 176.117 -0.157 0.000 1.060 90 I CA -0.778 60.375 61.300 -0.244 0.000 1.071 90 I CB 1.674 39.548 38.000 -0.210 0.000 1.216 90 I HN -0.641 7.400 8.210 -0.281 0.000 0.442 91 V N 5.780 125.696 119.914 0.002 0.000 2.276 91 V HA 0.221 4.326 4.120 -0.025 0.000 0.268 91 V C -0.188 176.012 176.094 0.177 0.000 1.032 91 V CA -1.362 60.967 62.300 0.048 0.000 0.810 91 V CB 0.408 32.212 31.823 -0.032 0.000 1.060 91 V HN 0.355 8.651 8.190 0.177 0.000 0.446 92 A N 5.980 128.847 122.820 0.079 0.000 2.248 92 A HA -0.271 4.137 4.320 0.148 0.000 0.210 92 A C -0.057 177.544 177.584 0.028 0.000 1.174 92 A CA 2.321 54.401 52.037 0.072 0.000 0.750 92 A CB -0.240 18.764 19.000 0.007 0.000 0.780 92 A HN -0.146 8.016 8.150 0.020 0.000 0.478 93 D N -2.811 117.587 120.400 -0.004 0.000 2.120 93 D HA -0.244 4.377 4.640 -0.032 0.000 0.202 93 D C 1.245 177.493 176.300 -0.087 0.000 0.972 93 D CA 2.173 56.150 54.000 -0.039 0.000 0.837 93 D CB 0.042 40.818 40.800 -0.040 0.000 0.989 93 D HN -0.212 8.084 8.370 0.001 0.075 0.469 94 A N -0.974 121.744 122.820 -0.169 0.000 1.930 94 A HA -0.067 4.075 4.320 -0.296 0.000 0.215 94 A C 0.021 177.325 177.584 -0.467 0.000 1.176 94 A CA 1.496 53.293 52.037 -0.399 0.000 0.632 94 A CB 0.602 19.232 19.000 -0.617 0.000 0.819 94 A HN -0.479 7.594 8.150 -0.128 0.000 0.445 95 W N -4.254 117.045 121.300 -0.002 0.000 2.481 95 W HA 0.140 4.802 4.660 0.002 0.000 0.369 95 W C -1.037 175.463 176.519 -0.031 0.000 1.235 95 W CA -1.163 56.175 57.345 -0.012 0.000 1.344 95 W CB 1.311 30.756 29.460 -0.024 0.000 1.360 95 W HN -0.708 7.462 8.180 -0.016 0.000 0.658 96 E N -1.098 119.237 120.200 0.226 0.000 2.228 96 E HA 0.144 4.528 4.350 0.058 0.000 0.197 96 E C -0.210 176.416 176.600 0.044 0.000 0.909 96 E CA 0.317 56.770 56.400 0.087 0.000 0.911 96 E CB 3.127 32.861 29.700 0.057 0.000 0.887 96 E HN -0.151 8.391 8.360 0.304 0.000 0.481 97 G N -3.201 105.622 108.800 0.038 0.000 2.605 97 G HA2 0.617 4.738 3.960 -0.031 0.000 0.296 97 G HA3 0.617 4.546 3.960 -0.051 0.000 0.296 97 G C -2.433 172.440 174.900 -0.044 0.000 1.304 97 G CA -1.041 44.045 45.100 -0.023 0.000 0.941 97 G HN -0.133 8.203 8.290 0.078 0.000 0.475 98 I N -0.902 119.624 120.570 -0.074 0.000 2.769 98 I HA 0.236 4.518 4.170 -0.155 -0.205 0.298 98 I C -2.150 173.914 176.117 -0.088 0.000 1.128 98 I CA -0.729 60.503 61.300 -0.114 0.000 1.031 98 I CB 4.942 42.862 38.000 -0.133 0.000 1.235 98 I HN -0.277 7.893 8.210 -0.066 0.000 0.423 99 V N 6.034 125.891 119.914 -0.094 0.000 2.525 99 V HA 0.625 4.928 4.120 -0.015 -0.192 0.299 99 V C -2.212 173.845 176.094 -0.061 0.000 1.034 99 V CA -1.920 60.351 62.300 -0.047 0.000 0.863 99 V CB 4.156 35.964 31.823 -0.024 0.000 0.999 99 V HN 0.800 8.792 8.190 -0.130 0.120 0.423 100 S N 10.118 125.816 115.700 -0.003 0.000 2.532 100 S HA 0.395 4.837 4.470 -0.047 0.000 0.256 100 S C -1.492 173.215 174.600 0.179 0.000 1.298 100 S CA -2.038 56.171 58.200 0.014 0.000 1.166 100 S CB -0.062 63.000 63.200 -0.229 0.000 1.022 100 S HN 0.231 8.579 8.310 0.063 0.000 0.480 101 I N 5.343 125.918 120.570 0.008 0.000 2.556 101 I HA -0.150 3.933 4.170 -0.145 0.000 0.284 101 I C 0.319 176.336 176.117 -0.166 0.000 1.114 101 I CA -0.932 60.253 61.300 -0.192 0.000 1.418 101 I CB -0.545 37.227 38.000 -0.380 0.000 1.394 101 I HN 0.291 8.479 8.210 -0.038 0.000 0.552 102 F N 2.685 122.746 119.950 0.184 0.000 2.126 102 F HA -0.326 4.308 4.527 0.072 -0.065 0.448 102 F C 0.295 176.140 175.800 0.075 0.000 0.870 102 F CA -0.562 57.483 58.000 0.075 0.000 1.025 102 F CB -1.603 37.359 39.000 -0.064 0.000 0.805 102 F HN -0.312 7.776 8.300 -0.353 0.000 0.505 103 C N 3.759 123.240 119.300 0.301 0.000 2.667 103 C HA -0.155 4.461 4.460 0.261 0.000 0.392 103 C C 0.372 175.439 174.990 0.129 0.000 1.332 103 C CA -1.028 58.145 59.018 0.259 0.000 1.594 103 C CB -0.825 27.127 27.740 0.354 0.000 2.345 103 C HN 0.185 8.625 8.230 0.349 0.000 0.594 104 H N 8.103 127.294 119.070 0.203 0.000 2.787 104 H HA 0.119 4.768 4.556 0.155 0.000 0.275 104 H C -1.051 174.331 175.328 0.090 0.000 1.183 104 H CA -0.304 55.836 56.048 0.153 0.000 1.290 104 H CB -0.667 29.189 29.762 0.157 0.000 1.438 104 H HN 0.337 8.863 8.280 0.411 0.000 0.487 105 L N 4.720 126.028 121.223 0.140 0.000 2.431 105 L HA 0.385 4.773 4.340 0.080 0.000 0.266 105 L C -2.451 174.447 176.870 0.047 0.000 0.978 105 L CA -3.694 51.188 54.840 0.070 0.000 0.822 105 L CB 2.460 44.525 42.059 0.009 0.000 1.310 105 L HN -0.374 7.927 8.230 0.118 0.000 0.409 106 P HA 0.209 4.649 4.420 0.033 0.000 0.272 106 P C 0.431 177.737 177.300 0.011 0.000 1.240 106 P CA -0.844 62.272 63.100 0.026 0.000 0.791 106 P CB 0.877 32.590 31.700 0.022 0.000 0.978 107 S N 1.507 117.216 115.700 0.016 0.000 2.407 107 S HA -0.460 4.023 4.470 0.023 0.000 0.235 107 S C 1.732 176.335 174.600 0.004 0.000 1.036 107 S CA 3.463 61.673 58.200 0.017 0.000 1.013 107 S CB -0.405 62.809 63.200 0.024 0.000 0.820 107 S HN 0.653 8.976 8.310 0.021 0.000 0.476 108 S N 1.459 117.161 115.700 0.003 0.000 2.354 108 S HA -0.297 4.175 4.470 0.004 0.000 0.219 108 S C 1.820 176.413 174.600 -0.013 0.000 1.035 108 S CA 3.200 61.400 58.200 0.000 0.000 1.037 108 S CB -0.363 62.840 63.200 0.005 0.000 0.956 108 S HN 0.020 8.316 8.310 0.007 0.018 0.428 109 L N -0.501 120.710 121.223 -0.019 0.000 2.313 109 L HA -0.159 4.166 4.340 -0.025 0.000 0.214 109 L C 1.696 178.512 176.870 -0.089 0.000 1.119 109 L CA 1.609 56.429 54.840 -0.033 0.000 0.809 109 L CB -0.303 41.747 42.059 -0.014 0.000 0.933 109 L HN -0.523 7.701 8.230 -0.010 0.000 0.449 110 R N 0.099 120.530 120.500 -0.115 0.000 2.062 110 R HA -0.361 3.763 4.340 -0.360 0.000 0.231 110 R C 2.054 178.139 176.300 -0.359 0.000 1.136 110 R CA 3.712 59.648 56.100 -0.274 0.000 0.948 110 R CB -0.045 30.168 30.300 -0.146 0.000 0.845 110 R HN 0.093 8.279 8.270 -0.065 0.045 0.430 111 Q N -1.883 117.851 119.800 -0.111 0.000 2.437 111 Q HA -0.185 4.200 4.340 0.075 0.000 0.210 111 Q C 2.148 178.142 176.000 -0.010 0.000 0.972 111 Q CA 2.018 57.819 55.803 -0.002 0.000 0.903 111 Q CB -0.877 27.886 28.738 0.041 0.000 0.967 111 Q HN -0.471 7.764 8.270 -0.058 0.000 0.486 112 Q N -1.911 117.860 119.800 -0.047 0.000 2.163 112 Q HA -0.100 4.241 4.340 0.002 0.000 0.198 112 Q C 1.963 177.942 176.000 -0.036 0.000 0.954 112 Q CA 1.373 57.162 55.803 -0.025 0.000 0.851 112 Q CB 0.095 28.821 28.738 -0.020 0.000 0.928 112 Q HN -0.368 7.698 8.270 -0.072 0.161 0.459 113 L N 0.532 121.687 121.223 -0.115 0.000 2.095 113 L HA -0.168 4.134 4.340 -0.063 0.000 0.204 113 L C 1.982 178.848 176.870 -0.007 0.000 1.080 113 L CA 1.913 56.687 54.840 -0.110 0.000 0.759 113 L CB -0.204 41.749 42.059 -0.177 0.000 0.914 113 L HN -0.453 7.552 8.230 -0.182 0.115 0.439 114 Y N -2.549 117.816 120.300 0.108 0.000 2.165 114 Y HA -0.222 4.456 4.550 0.213 0.000 0.286 114 Y C -0.598 175.375 175.900 0.122 0.000 1.155 114 Y CA 4.029 62.217 58.100 0.147 0.000 1.164 114 Y CB -3.653 34.886 38.460 0.133 0.000 0.978 114 Y HN -0.355 7.779 8.280 -0.243 0.000 0.513 115 P HA -0.269 4.262 4.420 0.186 0.000 0.219 115 P C 1.003 178.402 177.300 0.165 0.000 1.146 115 P CA 2.833 66.034 63.100 0.170 0.000 0.808 115 P CB -0.566 31.195 31.700 0.101 0.000 0.779 116 K N -3.917 116.544 120.400 0.101 0.000 2.217 116 K HA -0.158 4.182 4.320 0.034 0.000 0.202 116 K C 1.842 178.454 176.600 0.020 0.000 1.051 116 K CA 1.855 58.164 56.287 0.036 0.000 0.952 116 K CB -0.543 31.946 32.500 -0.018 0.000 0.736 116 K HN -0.428 7.742 8.250 0.091 0.134 0.453 117 V N -1.927 118.026 119.914 0.065 0.000 2.878 117 V HA -0.246 3.824 4.120 -0.083 0.000 0.250 117 V C 1.240 177.393 176.094 0.098 0.000 1.075 117 V CA 2.257 64.568 62.300 0.019 0.000 1.096 117 V CB -0.256 31.571 31.823 0.006 0.000 0.724 117 V HN -0.468 7.693 8.190 0.130 0.107 0.467 118 Y N 0.049 120.376 120.300 0.045 0.000 2.114 118 Y HA -0.227 4.340 4.550 0.028 0.000 0.284 118 Y C 1.898 177.801 175.900 0.006 0.000 1.119 118 Y CA 2.711 60.832 58.100 0.035 0.000 1.108 118 Y CB 0.857 39.354 38.460 0.062 0.000 0.995 118 Y HN -0.581 7.885 8.280 0.309 0.000 0.491 119 Q N -1.278 118.585 119.800 0.105 0.000 2.062 119 Q HA -0.212 4.066 4.340 -0.103 0.000 0.196 119 Q C 2.050 178.031 176.000 -0.032 0.000 0.967 119 Q CA 2.247 58.051 55.803 0.001 0.000 0.832 119 Q CB 0.184 28.974 28.738 0.087 0.000 0.899 119 Q HN -0.071 8.370 8.270 0.285 0.000 0.442 120 G N -1.703 107.090 108.800 -0.012 0.000 2.408 120 G HA2 -0.077 3.863 3.960 -0.033 0.000 0.215 120 G HA3 -0.077 3.926 3.960 -0.043 -0.069 0.215 120 G C -1.263 173.603 174.900 -0.057 0.000 1.156 120 G CA 0.070 45.147 45.100 -0.038 0.000 0.793 120 G HN -0.591 7.610 8.290 0.021 0.101 0.535 121 L N 1.036 122.216 121.223 -0.071 0.000 2.433 121 L HA 0.079 4.371 4.340 -0.080 0.000 0.284 121 L C -1.497 175.318 176.870 -0.092 0.000 1.120 121 L CA -0.381 54.406 54.840 -0.089 0.000 0.879 121 L CB 0.001 41.990 42.059 -0.117 0.000 1.232 121 L HN -0.778 7.417 8.230 -0.059 0.000 0.454 122 K N 7.922 128.275 120.400 -0.077 0.000 2.185 122 K HA 0.236 4.495 4.320 -0.102 0.000 0.271 122 K C -1.609 174.941 176.600 -0.083 0.000 1.013 122 K CA -2.955 53.283 56.287 -0.082 0.000 0.943 122 K CB -0.683 31.780 32.500 -0.062 0.000 0.998 122 K HN -0.487 7.727 8.250 -0.060 0.000 0.468 123 P HA -0.151 4.202 4.420 -0.112 0.000 0.259 123 P C -0.368 176.885 177.300 -0.078 0.000 1.163 123 P CA 0.622 63.663 63.100 -0.098 0.000 0.760 123 P CB 0.213 31.849 31.700 -0.106 0.000 0.762 124 G N 2.144 110.897 108.800 -0.078 0.000 2.200 124 G HA2 -0.154 3.765 3.960 -0.067 0.000 0.145 124 G HA3 -0.154 3.771 3.960 -0.058 0.000 0.145 124 G C -1.525 173.337 174.900 -0.063 0.000 1.021 124 G CA -0.388 44.672 45.100 -0.066 0.000 0.720 124 G HN 0.373 8.610 8.290 -0.088 0.000 0.494 125 G N -1.072 107.687 108.800 -0.069 0.000 2.453 125 G HA2 0.877 4.987 3.960 -0.062 0.000 0.323 125 G HA3 0.877 4.788 3.960 -0.081 0.000 0.323 125 G C -1.858 173.012 174.900 -0.050 0.000 1.198 125 G CA -1.615 43.444 45.100 -0.067 0.000 0.959 125 G HN -0.762 7.481 8.290 -0.078 0.000 0.482 126 V N -3.797 116.108 119.914 -0.016 0.000 2.483 126 V HA 0.730 5.071 4.120 0.038 -0.198 0.295 126 V C -1.872 174.312 176.094 0.151 0.000 1.035 126 V CA -2.723 59.608 62.300 0.051 0.000 0.896 126 V CB 2.463 34.318 31.823 0.053 0.000 0.986 126 V HN 0.410 8.489 8.190 -0.025 0.096 0.447 127 F N 7.363 127.348 119.950 0.057 0.000 2.361 127 F HA 0.400 4.997 4.527 0.118 0.000 0.364 127 F C -1.693 174.277 175.800 0.285 0.000 1.117 127 F CA -3.893 54.206 58.000 0.165 0.000 1.071 127 F CB 1.213 40.340 39.000 0.211 0.000 1.188 127 F HN -0.392 8.063 8.300 0.258 0.000 0.464 128 I N 8.718 129.587 120.570 0.498 0.000 2.306 128 I HA 0.289 4.843 4.170 0.364 -0.166 0.288 128 I C -1.975 174.295 176.117 0.255 0.000 1.036 128 I CA -0.718 60.790 61.300 0.346 0.000 1.221 128 I CB 0.545 38.720 38.000 0.291 0.000 1.385 128 I HN 0.570 9.125 8.210 0.576 0.000 0.472 129 L N 7.123 128.412 121.223 0.110 0.000 2.349 129 L HA 0.389 4.799 4.340 0.116 0.000 0.278 129 L C -1.832 174.990 176.870 -0.080 0.000 0.996 129 L CA -1.064 53.757 54.840 -0.031 0.000 0.825 129 L CB 2.654 44.505 42.059 -0.348 0.000 1.243 129 L HN 0.313 8.613 8.230 0.117 0.000 0.412 130 E N 5.198 125.332 120.200 -0.110 0.000 2.183 130 E HA 0.497 4.803 4.350 -0.408 -0.201 0.250 130 E C -0.381 175.788 176.600 -0.719 0.000 0.901 130 E CA -1.923 54.203 56.400 -0.457 0.000 0.741 130 E CB 1.929 31.281 29.700 -0.579 0.000 1.182 130 E HN 0.461 8.875 8.360 0.090 0.000 0.425 131 G N 3.658 112.109 108.800 -0.583 0.000 2.547 131 G HA2 0.257 3.953 3.960 -0.441 0.000 0.291 131 G HA3 0.257 4.196 3.960 -0.331 -0.177 0.291 131 G C -2.023 172.431 174.900 -0.744 0.000 1.211 131 G CA -0.846 43.932 45.100 -0.537 0.000 0.950 131 G HN -0.042 7.978 8.290 -0.451 0.000 0.504 132 F N -3.392 116.465 119.950 -0.156 0.000 2.611 132 F HA 0.434 4.887 4.527 -0.124 0.000 0.324 132 F C -0.813 174.915 175.800 -0.119 0.000 1.061 132 F CA -1.421 56.501 58.000 -0.129 0.000 0.954 132 F CB 4.436 43.365 39.000 -0.118 0.000 1.301 132 F HN -0.185 8.134 8.300 0.031 0.000 0.482 133 A N 0.202 123.063 122.820 0.068 0.000 2.304 133 A HA 0.492 4.792 4.320 -0.033 0.000 0.271 133 A C -0.651 176.900 177.584 -0.056 0.000 1.091 133 A CA -2.367 49.658 52.037 -0.019 0.000 0.812 133 A CB -0.053 18.926 19.000 -0.035 0.000 1.056 133 A HN 0.096 8.312 8.150 0.109 0.000 0.489 134 P HA -0.148 4.218 4.420 -0.091 0.000 0.230 134 P C -0.262 176.933 177.300 -0.174 0.000 1.158 134 P CA 2.048 65.086 63.100 -0.103 0.000 0.769 134 P CB 0.011 31.664 31.700 -0.078 0.000 0.807 135 E N -2.535 117.525 120.200 -0.234 0.000 2.478 135 E HA -0.098 4.043 4.350 -0.348 0.000 0.194 135 E C 0.731 176.811 176.600 -0.866 0.000 1.045 135 E CA 0.677 56.821 56.400 -0.427 0.000 0.868 135 E CB -0.689 28.821 29.700 -0.316 0.000 0.885 135 E HN -0.010 8.185 8.360 -0.176 0.059 0.505 136 Q N 0.727 120.198 119.800 -0.549 0.000 1.994 136 Q HA -0.220 3.678 4.340 -0.736 0.000 0.198 136 Q C 2.349 178.145 176.000 -0.340 0.000 0.976 136 Q CA 2.540 58.069 55.803 -0.456 0.000 0.828 136 Q CB -0.214 28.486 28.738 -0.063 0.000 0.894 136 Q HN -0.397 7.506 8.270 -0.314 0.179 0.432 137 L N -1.891 119.177 121.223 -0.258 0.000 2.275 137 L HA -0.198 4.222 4.340 -0.167 -0.180 0.215 137 L C 2.748 179.519 176.870 -0.166 0.000 1.119 137 L CA 1.878 56.605 54.840 -0.189 0.000 0.790 137 L CB -0.708 41.252 42.059 -0.165 0.000 0.919 137 L HN -0.003 8.083 8.230 -0.240 0.000 0.443 138 Q N -0.789 118.867 119.800 -0.239 0.000 2.297 138 Q HA -0.256 4.009 4.340 -0.125 0.000 0.204 138 Q C 1.179 177.109 176.000 -0.116 0.000 0.962 138 Q CA 2.343 58.032 55.803 -0.189 0.000 0.879 138 Q CB -0.432 28.173 28.738 -0.221 0.000 0.947 138 Q HN -0.093 7.949 8.270 -0.317 0.037 0.462 139 Y N -2.596 117.649 120.300 -0.092 0.000 2.483 139 Y HA -0.193 4.278 4.550 -0.132 0.000 0.291 139 Y C -0.100 175.728 175.900 -0.120 0.000 1.143 139 Y CA 0.349 58.380 58.100 -0.116 0.000 1.289 139 Y CB -0.508 37.887 38.460 -0.108 0.000 0.983 139 Y HN -0.517 7.392 8.280 -0.383 0.142 0.556 140 N N -3.787 114.930 118.700 0.027 0.000 2.782 140 N HA -0.337 4.384 4.740 -0.032 0.000 0.251 140 N C 0.430 175.934 175.510 -0.011 0.000 1.101 140 N CA 1.076 54.118 53.050 -0.014 0.000 0.764 140 N CB -1.232 37.240 38.487 -0.025 0.000 1.122 140 N HN -0.328 7.879 8.380 -0.006 0.170 0.561 141 T N -2.690 111.871 114.554 0.012 0.000 3.014 141 T HA -0.019 4.324 4.350 -0.011 0.000 0.263 141 T C 0.399 175.084 174.700 -0.025 0.000 1.078 141 T CA 1.133 63.232 62.100 -0.001 0.000 1.135 141 T CB 0.626 69.510 68.868 0.026 0.000 0.895 141 T HN 0.387 8.606 8.240 0.052 0.053 0.480 142 G N -0.814 107.956 108.800 -0.049 0.000 2.322 142 G HA2 -0.059 3.865 3.960 -0.061 0.000 0.295 142 G HA3 -0.059 3.852 3.960 -0.082 0.000 0.295 142 G C -2.787 172.040 174.900 -0.122 0.000 1.369 142 G CA -0.289 44.764 45.100 -0.078 0.000 0.821 142 G HN -0.667 7.595 8.290 -0.046 0.000 0.536 143 G N -2.640 106.084 108.800 -0.128 0.000 2.498 143 G HA2 0.068 3.894 3.960 -0.224 0.000 0.301 143 G HA3 0.068 3.950 3.960 -0.130 0.000 0.301 143 G C -1.893 172.943 174.900 -0.107 0.000 1.577 143 G CA -0.042 44.968 45.100 -0.150 0.000 0.868 143 G HN -0.397 7.832 8.290 -0.102 0.000 0.599 144 P HA -0.023 4.367 4.420 -0.051 0.000 0.216 144 P C -0.345 176.934 177.300 -0.034 0.000 1.153 144 P CA 0.919 63.991 63.100 -0.047 0.000 0.844 144 P CB 1.137 32.839 31.700 0.003 0.000 0.787 145 K N -2.979 117.399 120.400 -0.038 0.000 2.954 145 K HA 0.024 4.325 4.320 -0.031 0.000 0.181 145 K C -1.989 174.589 176.600 -0.037 0.000 2.022 145 K CA 0.276 56.545 56.287 -0.030 0.000 1.440 145 K CB 1.127 33.619 32.500 -0.014 0.000 2.298 145 K HN -0.541 7.680 8.250 -0.048 0.000 0.597 146 D N -2.333 118.043 120.400 -0.039 0.000 2.685 146 D HA 0.093 4.702 4.640 -0.052 0.000 0.236 146 D C -0.768 175.505 176.300 -0.045 0.000 1.233 146 D CA -0.581 53.394 54.000 -0.042 0.000 0.760 146 D CB 1.934 42.719 40.800 -0.026 0.000 1.410 146 D HN -0.487 7.861 8.370 -0.036 0.000 0.439 147 L N 1.123 122.313 121.223 -0.054 0.000 2.551 147 L HA -0.228 4.072 4.340 -0.066 0.000 0.230 147 L C 1.025 177.881 176.870 -0.023 0.000 1.163 147 L CA 2.013 56.821 54.840 -0.052 0.000 0.826 147 L CB -0.520 41.501 42.059 -0.063 0.000 0.943 147 L HN 0.381 8.576 8.230 -0.058 0.000 0.452 148 D N 0.970 121.362 120.400 -0.014 0.000 2.123 148 D HA -0.288 4.355 4.640 0.005 0.000 0.196 148 D C 1.045 177.358 176.300 0.023 0.000 0.992 148 D CA 2.951 56.954 54.000 0.005 0.000 0.833 148 D CB 0.227 41.031 40.800 0.005 0.000 0.954 148 D HN -0.300 8.240 8.370 -0.020 -0.182 0.455 149 L N -3.915 117.321 121.223 0.022 0.000 2.675 149 L HA -0.083 4.292 4.340 0.060 0.000 0.239 149 L C -0.731 176.175 176.870 0.060 0.000 1.151 149 L CA -0.460 54.408 54.840 0.048 0.000 0.905 149 L CB -0.717 41.375 42.059 0.054 0.000 1.057 149 L HN -0.621 7.613 8.230 0.006 0.000 0.435 150 L N -0.536 120.716 121.223 0.050 0.000 2.283 150 L HA 0.247 4.694 4.340 0.179 0.000 0.287 150 L C -1.799 175.105 176.870 0.058 0.000 1.073 150 L CA -2.504 52.394 54.840 0.095 0.000 0.822 150 L CB -0.229 41.879 42.059 0.080 0.000 1.186 150 L HN -0.969 7.067 8.230 0.027 0.211 0.436 151 P HA 0.216 4.659 4.420 0.039 0.000 0.279 151 P C -1.612 175.633 177.300 -0.091 0.000 1.318 151 P CA -0.711 62.388 63.100 -0.002 0.000 0.819 151 P CB -0.179 31.522 31.700 0.002 0.000 0.927 152 K N 3.906 124.248 120.400 -0.098 0.000 2.166 152 K HA 0.258 4.482 4.320 -0.160 0.000 0.245 152 K C 1.248 177.728 176.600 -0.200 0.000 0.967 152 K CA -2.127 54.077 56.287 -0.139 0.000 0.863 152 K CB 3.006 35.449 32.500 -0.094 0.000 1.107 152 K HN -0.161 8.048 8.250 -0.067 0.000 0.436 153 L N 2.993 124.078 121.223 -0.230 0.000 2.081 153 L HA -0.453 3.649 4.340 -0.396 0.000 0.212 153 L C 1.884 178.616 176.870 -0.231 0.000 1.080 153 L CA 3.609 58.278 54.840 -0.285 0.000 0.754 153 L CB -0.849 41.062 42.059 -0.247 0.000 0.893 153 L HN 0.660 8.767 8.230 -0.205 0.000 0.433 154 E N -2.836 117.267 120.200 -0.162 0.000 2.065 154 E HA -0.284 4.002 4.350 -0.107 0.000 0.201 154 E C 2.608 179.129 176.600 -0.132 0.000 1.016 154 E CA 3.075 59.403 56.400 -0.120 0.000 0.818 154 E CB -1.242 28.405 29.700 -0.088 0.000 0.749 154 E HN 0.463 8.717 8.360 -0.149 0.017 0.453 155 T N 2.242 116.704 114.554 -0.153 0.000 2.698 155 T HA -0.235 4.026 4.350 -0.148 0.000 0.260 155 T C 1.668 176.192 174.700 -0.294 0.000 1.044 155 T CA 4.195 66.183 62.100 -0.188 0.000 1.149 155 T CB -0.037 68.742 68.868 -0.148 0.000 0.864 155 T HN -0.613 7.539 8.240 -0.147 0.000 0.419 156 L N -0.742 120.280 121.223 -0.334 0.000 1.994 156 L HA -0.391 3.634 4.340 -0.524 0.000 0.208 156 L C 2.387 179.156 176.870 -0.169 0.000 1.071 156 L CA 3.279 57.891 54.840 -0.380 0.000 0.745 156 L CB -0.603 41.173 42.059 -0.472 0.000 0.892 156 L HN -0.249 7.804 8.230 -0.294 0.000 0.431 157 Q N -1.966 117.680 119.800 -0.257 0.000 2.124 157 Q HA -0.322 4.280 4.340 0.436 0.000 0.202 157 Q C 2.486 178.567 176.000 0.135 0.000 0.977 157 Q CA 2.741 58.547 55.803 0.006 0.000 0.850 157 Q CB -0.171 28.436 28.738 -0.219 0.000 0.901 157 Q HN -0.369 7.670 8.270 -0.386 0.000 0.429 158 S N 0.184 115.878 115.700 -0.011 0.000 2.382 158 S HA -0.257 4.223 4.470 0.017 0.000 0.228 158 S C 1.320 175.913 174.600 -0.012 0.000 1.027 158 S CA 2.976 61.168 58.200 -0.013 0.000 0.991 158 S CB -0.202 62.960 63.200 -0.063 0.000 0.823 158 S HN -0.543 7.714 8.310 -0.089 0.000 0.469 159 E N -2.851 117.321 120.200 -0.047 0.000 2.481 159 E HA 0.018 4.299 4.350 -0.114 0.000 0.195 159 E C -0.552 176.094 176.600 0.077 0.000 1.047 159 E CA 0.007 56.365 56.400 -0.070 0.000 0.867 159 E CB 0.566 30.135 29.700 -0.218 0.000 0.858 159 E HN -0.557 7.623 8.360 -0.075 0.136 0.513 160 L N -1.459 119.902 121.223 0.229 0.000 2.502 160 L HA 0.590 5.184 4.340 0.424 0.000 0.249 160 L C -2.574 174.467 176.870 0.285 0.000 1.446 160 L CA -2.379 52.659 54.840 0.331 0.000 0.887 160 L CB 0.932 43.210 42.059 0.364 0.000 1.126 160 L HN -0.881 7.299 8.230 0.225 0.185 0.509 161 P HA 0.170 4.720 4.420 0.216 0.000 0.245 161 P C 0.191 177.603 177.300 0.187 0.000 1.206 161 P CA 1.134 64.353 63.100 0.200 0.000 0.781 161 P CB 0.544 32.323 31.700 0.132 0.000 0.994 162 S N -0.759 115.044 115.700 0.172 0.000 2.404 162 S HA -0.140 4.466 4.470 0.226 0.000 0.223 162 S C -0.110 174.495 174.600 0.008 0.000 1.040 162 S CA 2.318 60.577 58.200 0.097 0.000 0.957 162 S CB -0.216 62.906 63.200 -0.131 0.000 0.826 162 S HN -0.427 7.939 8.310 0.235 0.086 0.491 163 L N 1.318 122.475 121.223 -0.109 0.000 2.466 163 L HA 0.114 4.286 4.340 -0.280 0.000 0.248 163 L C -1.032 175.490 176.870 -0.579 0.000 1.240 163 L CA -1.116 53.517 54.840 -0.344 0.000 1.180 163 L CB -1.617 40.191 42.059 -0.418 0.000 1.413 163 L HN -0.426 7.780 8.230 -0.039 0.000 0.406 164 N N 4.046 122.584 118.700 -0.270 0.000 2.458 164 N HA -0.137 4.567 4.740 -0.059 0.000 0.258 164 N C -0.748 174.662 175.510 -0.166 0.000 1.219 164 N CA 1.001 53.978 53.050 -0.121 0.000 0.902 164 N CB 0.838 39.385 38.487 0.100 0.000 1.076 164 N HN -0.753 7.482 8.380 -0.191 0.030 0.455 165 W N 1.156 122.515 121.300 0.097 0.000 2.338 165 W HA 0.208 5.036 4.660 0.085 -0.117 0.307 165 W C -0.100 176.464 176.519 0.075 0.000 1.167 165 W CA -0.668 56.724 57.345 0.078 0.000 1.208 165 W CB 0.487 29.975 29.460 0.048 0.000 1.228 165 W HN 0.278 8.671 8.180 0.354 0.000 0.499 166 L N 0.959 122.337 121.223 0.258 0.000 2.141 166 L HA -0.178 4.251 4.340 0.148 0.000 0.209 166 L C 0.622 177.596 176.870 0.173 0.000 1.094 166 L CA 2.031 56.979 54.840 0.180 0.000 0.763 166 L CB -0.002 42.143 42.059 0.143 0.000 0.908 166 L HN 0.402 8.778 8.230 0.243 0.000 0.437 167 I N -2.349 118.350 120.570 0.216 0.000 2.466 167 I HA 0.108 4.340 4.170 0.103 0.000 0.289 167 I C -2.148 174.025 176.117 0.094 0.000 1.026 167 I CA -0.416 60.969 61.300 0.142 0.000 1.078 167 I CB 2.098 40.188 38.000 0.150 0.000 1.249 167 I HN -0.893 7.466 8.210 0.300 0.031 0.429 168 A N 7.611 130.439 122.820 0.014 0.000 3.158 168 A HA 0.329 4.655 4.320 -0.184 -0.117 0.302 168 A C -1.664 175.867 177.584 -0.089 0.000 1.162 168 A CA -0.238 51.744 52.037 -0.093 0.000 0.824 168 A CB 1.024 19.974 19.000 -0.083 0.000 1.322 168 A HN 0.346 8.512 8.150 0.026 0.000 0.510 169 N N 1.758 120.396 118.700 -0.103 0.000 2.484 169 N HA 0.150 4.842 4.740 -0.081 0.000 0.269 169 N C -2.692 172.752 175.510 -0.110 0.000 1.237 169 N CA -1.241 51.757 53.050 -0.086 0.000 0.838 169 N CB 3.078 41.534 38.487 -0.051 0.000 1.593 169 N HN -0.147 8.159 8.380 -0.123 0.000 0.485 170 N N 2.321 120.964 118.700 -0.095 0.000 2.411 170 N HA 0.058 4.835 4.740 -0.128 -0.114 0.259 170 N C -1.287 174.170 175.510 -0.088 0.000 1.103 170 N CA 0.246 53.236 53.050 -0.100 0.000 0.954 170 N CB 0.295 38.735 38.487 -0.078 0.000 1.085 170 N HN 0.175 8.508 8.380 -0.078 0.000 0.485 171 L N 3.829 124.986 121.223 -0.111 0.000 2.322 171 L HA 0.251 4.548 4.340 -0.073 0.000 0.281 171 L C -0.704 176.113 176.870 -0.089 0.000 1.014 171 L CA -1.038 53.743 54.840 -0.098 0.000 0.815 171 L CB 1.769 43.752 42.059 -0.127 0.000 1.247 171 L HN -0.123 7.939 8.230 -0.141 0.083 0.421 172 E N 2.384 122.549 120.200 -0.059 0.000 2.249 172 E HA 0.381 4.879 4.350 -0.036 -0.169 0.280 172 E C -0.867 175.708 176.600 -0.042 0.000 1.016 172 E CA -0.428 55.948 56.400 -0.040 0.000 0.830 172 E CB 1.493 31.178 29.700 -0.024 0.000 1.081 172 E HN 0.229 8.558 8.360 -0.051 0.000 0.395 173 R N 4.628 125.107 120.500 -0.035 0.000 2.575 173 R HA 0.242 4.564 4.340 -0.031 0.000 0.293 173 R C -1.795 174.491 176.300 -0.024 0.000 0.983 173 R CA -1.175 54.906 56.100 -0.032 0.000 0.887 173 R CB 2.796 33.071 30.300 -0.041 0.000 1.184 173 R HN 0.173 8.428 8.270 -0.025 0.000 0.445 174 N N 4.520 123.207 118.700 -0.023 0.000 2.497 174 N HA -0.093 4.621 4.740 -0.043 0.000 0.271 174 N C -0.202 175.292 175.510 -0.027 0.000 1.142 174 N CA 0.395 53.428 53.050 -0.028 0.000 0.965 174 N CB 0.754 39.230 38.487 -0.017 0.000 1.077 174 N HN 0.160 8.528 8.380 -0.019 0.000 0.462 175 L N 2.155 123.350 121.223 -0.047 0.000 2.418 175 L HA 0.104 4.433 4.340 -0.018 0.000 0.265 175 L C 0.669 177.525 176.870 -0.023 0.000 1.143 175 L CA -0.776 54.041 54.840 -0.039 0.000 0.809 175 L CB 0.915 42.927 42.059 -0.079 0.000 1.124 175 L HN 0.073 8.258 8.230 -0.076 0.000 0.456 176 D N 0.033 120.429 120.400 -0.008 0.000 2.385 176 D HA -0.085 4.558 4.640 0.005 0.000 0.260 176 D C -0.680 175.627 176.300 0.013 0.000 1.326 176 D CA 0.334 54.337 54.000 0.004 0.000 1.023 176 D CB -1.142 39.664 40.800 0.009 0.000 1.083 176 D HN 0.086 8.452 8.370 -0.006 0.000 0.517 177 E N 3.780 123.991 120.200 0.019 0.000 2.432 177 E HA 0.054 4.427 4.350 0.037 0.000 0.279 177 E C -1.129 175.491 176.600 0.033 0.000 1.099 177 E CA -0.615 55.809 56.400 0.040 0.000 0.859 177 E CB 1.096 30.848 29.700 0.086 0.000 1.402 177 E HN -0.447 7.920 8.360 0.011 0.000 0.451 178 G N -2.209 106.611 108.800 0.032 0.000 5.542 178 G HA2 0.119 4.103 3.960 0.039 0.000 0.207 178 G HA3 0.119 4.088 3.960 0.015 0.000 0.207 178 G C -1.867 173.035 174.900 0.003 0.000 0.764 178 G CA 0.552 45.666 45.100 0.024 0.000 0.692 178 G HN 0.304 8.613 8.290 0.031 0.000 0.330 179 A N 1.404 124.209 122.820 -0.026 0.000 1.993 179 A HA 0.321 4.570 4.320 -0.119 0.000 0.202 179 A C 0.417 177.873 177.584 -0.213 0.000 1.461 179 A CA 0.292 52.229 52.037 -0.167 0.000 0.824 179 A CB 0.839 19.644 19.000 -0.325 0.000 1.024 179 A HN -0.266 8.145 8.150 0.025 -0.246 0.507 180 Y N -2.217 118.045 120.300 -0.062 0.000 2.516 180 Y HA -0.269 4.181 4.550 -0.167 0.000 0.291 180 Y C 0.648 176.307 175.900 -0.401 0.000 1.131 180 Y CA 1.427 59.416 58.100 -0.185 0.000 1.281 180 Y CB 0.157 38.505 38.460 -0.187 0.000 1.013 180 Y HN -0.227 8.284 8.280 0.047 -0.203 0.554 181 H N -5.239 113.878 119.070 0.078 0.000 3.329 181 H HA -0.401 4.166 4.556 0.017 0.000 0.245 181 H C -0.984 174.357 175.328 0.021 0.000 1.099 181 H CA 1.007 57.073 56.048 0.030 0.000 1.186 181 H CB -2.590 27.178 29.762 0.010 0.000 1.243 181 H HN -0.144 8.304 8.280 0.095 -0.111 0.319 182 Q N -0.413 119.322 119.800 -0.109 0.000 2.023 182 Q HA 0.128 4.437 4.340 -0.053 0.000 0.211 182 Q C -0.575 175.309 176.000 -0.193 0.000 0.787 182 Q CA -0.476 55.252 55.803 -0.125 0.000 1.035 182 Q CB 1.054 29.681 28.738 -0.185 0.000 1.221 182 Q HN -0.219 7.917 8.270 -0.086 0.083 0.443 183 G N 1.342 110.051 108.800 -0.152 0.000 3.213 183 G HA2 0.018 3.731 3.960 -0.411 0.000 0.263 183 G HA3 0.018 3.944 3.960 -0.144 -0.053 0.263 183 G C -1.515 173.252 174.900 -0.222 0.000 0.829 183 G CA -0.026 44.931 45.100 -0.238 0.000 1.983 183 G HN -0.411 8.012 8.290 -0.060 -0.169 0.616 184 K N 1.778 122.008 120.400 -0.284 0.000 2.303 184 K HA 0.237 4.557 4.320 -0.119 -0.071 0.233 184 K C -1.681 174.790 176.600 -0.215 0.000 1.046 184 K CA -1.744 54.435 56.287 -0.180 0.000 0.895 184 K CB 3.449 35.890 32.500 -0.097 0.000 1.220 184 K HN -0.386 7.576 8.250 -0.355 0.076 0.470 185 A N -1.213 121.586 122.820 -0.035 0.000 2.374 185 A HA 0.396 4.979 4.320 0.308 -0.078 0.305 185 A C -2.245 175.401 177.584 0.103 0.000 1.053 185 A CA -1.094 51.015 52.037 0.120 0.000 0.726 185 A CB 3.302 22.371 19.000 0.115 0.000 1.229 185 A HN 0.268 8.401 8.150 -0.029 0.000 0.431 186 A N 4.272 127.189 122.820 0.161 0.000 2.316 186 A HA 0.785 5.120 4.320 0.024 0.000 0.311 186 A C -2.052 175.539 177.584 0.012 0.000 1.339 186 A CA -1.040 51.034 52.037 0.062 0.000 0.960 186 A CB 0.088 19.125 19.000 0.063 0.000 1.152 186 A HN 0.575 8.903 8.150 0.296 0.000 0.547 187 L N 2.579 123.763 121.223 -0.066 0.000 2.279 187 L HA 0.657 4.972 4.340 -0.203 -0.096 0.262 187 L C -0.701 176.049 176.870 -0.200 0.000 1.019 187 L CA -2.159 52.572 54.840 -0.181 0.000 0.823 187 L CB 3.752 45.662 42.059 -0.248 0.000 1.358 187 L HN -0.405 7.786 8.230 -0.064 0.000 0.432 188 I N -6.712 113.691 120.570 -0.279 0.000 2.686 188 I HA 0.594 4.783 4.170 -0.205 -0.142 0.295 188 I C -1.897 174.037 176.117 -0.304 0.000 1.114 188 I CA -1.591 59.558 61.300 -0.252 0.000 1.038 188 I CB 3.681 41.543 38.000 -0.230 0.000 1.238 188 I HN 0.182 8.165 8.210 -0.379 0.000 0.420 189 Q N 2.542 122.188 119.800 -0.257 0.000 2.375 189 Q HA 0.928 5.312 4.340 -0.276 -0.210 0.271 189 Q C -1.514 174.374 176.000 -0.185 0.000 1.074 189 Q CA -1.798 53.858 55.803 -0.246 0.000 0.808 189 Q CB 4.627 33.198 28.738 -0.279 0.000 1.327 189 Q HN 0.274 8.416 8.270 -0.214 0.000 0.441 190 L N 1.197 122.334 121.223 -0.143 0.000 2.438 190 L HA 0.776 5.263 4.340 -0.077 -0.193 0.270 190 L C -2.153 174.850 176.870 0.221 0.000 0.972 190 L CA -1.230 53.551 54.840 -0.099 0.000 0.831 190 L CB 4.012 45.739 42.059 -0.552 0.000 1.273 190 L HN 0.659 8.816 8.230 -0.121 0.000 0.405 191 L N 5.152 126.605 121.223 0.383 0.000 2.345 191 L HA 0.673 5.405 4.340 0.410 -0.146 0.274 191 L C -1.727 175.421 176.870 0.463 0.000 0.999 191 L CA -1.806 53.280 54.840 0.410 0.000 0.849 191 L CB 3.053 45.291 42.059 0.298 0.000 1.220 191 L HN -0.090 8.345 8.230 0.342 0.000 0.422 192 G N 4.517 113.565 108.800 0.413 0.000 2.395 192 G HA2 0.251 4.092 3.960 -0.199 0.000 0.283 192 G HA3 0.251 3.988 3.960 -0.372 0.000 0.283 192 G C -2.524 172.365 174.900 -0.018 0.000 1.178 192 G CA -0.599 44.461 45.100 -0.067 0.000 0.837 192 G HN 0.537 9.137 8.290 0.517 0.000 0.518 193 Q N 3.208 122.958 119.800 -0.083 0.000 2.456 193 Q HA 0.266 4.581 4.340 -0.041 0.000 0.284 193 Q C -1.634 174.302 176.000 -0.106 0.000 1.061 193 Q CA -2.081 53.690 55.803 -0.053 0.000 0.799 193 Q CB 3.932 32.670 28.738 0.002 0.000 1.445 193 Q HN -0.585 7.597 8.270 -0.146 0.000 0.411 194 K N 3.111 123.454 120.400 -0.096 0.000 2.453 194 K HA -0.139 4.096 4.320 -0.142 0.000 0.280 194 K C -0.208 176.300 176.600 -0.153 0.000 1.045 194 K CA 0.714 56.928 56.287 -0.122 0.000 1.059 194 K CB 0.090 32.535 32.500 -0.092 0.000 0.901 194 K HN 0.332 8.539 8.250 -0.072 0.000 0.475 195 L N 7.706 128.777 121.223 -0.254 0.000 2.433 195 L HA -0.099 3.976 4.340 -0.442 0.000 0.284 195 L C 0.615 177.290 176.870 -0.325 0.000 1.120 195 L CA 0.366 54.933 54.840 -0.456 0.000 0.879 195 L CB -1.303 40.313 42.059 -0.739 0.000 1.232 195 L HN 0.406 8.484 8.230 -0.254 0.000 0.454 196 E N 1.818 121.912 120.200 -0.177 0.000 2.150 196 E HA -0.239 4.066 4.350 -0.076 0.000 0.193 196 E C 0.053 176.606 176.600 -0.079 0.000 0.985 196 E CA 1.459 57.812 56.400 -0.078 0.000 0.814 196 E CB 0.167 29.868 29.700 0.001 0.000 0.752 196 E HN 0.128 8.423 8.360 -0.108 0.000 0.466 197 H N -1.909 117.093 119.070 -0.112 0.000 2.668 197 H HA 0.005 4.426 4.556 -0.224 0.000 0.303 197 H C -0.663 174.458 175.328 -0.345 0.000 1.074 197 H CA -0.752 55.171 56.048 -0.209 0.000 1.406 197 H CB -0.072 29.644 29.762 -0.078 0.000 1.442 197 H HN -0.514 7.693 8.280 -0.105 0.011 0.482 198 H N 3.096 121.991 119.070 -0.292 0.000 2.671 198 H HA 0.036 4.353 4.556 -0.398 0.000 0.372 198 H C -0.980 174.050 175.328 -0.497 0.000 1.227 198 H CA -0.725 55.117 56.048 -0.344 0.000 1.426 198 H CB 1.289 30.961 29.762 -0.151 0.000 1.480 198 H HN 0.191 8.109 8.280 -0.603 0.000 0.611 199 H N -1.132 117.917 119.070 -0.034 0.000 3.138 199 H HA -0.100 4.416 4.556 -0.067 0.000 0.275 199 H C -0.129 175.298 175.328 0.166 0.000 0.997 199 H CA 0.701 56.755 56.048 0.010 0.000 1.460 199 H CB 0.204 30.010 29.762 0.073 0.000 1.524 199 H HN 0.079 8.351 8.280 -0.013 0.000 0.532 200 H N 3.908 123.195 119.070 0.361 0.000 3.015 200 H HA 0.042 4.796 4.556 0.330 0.000 0.268 200 H C 0.128 175.633 175.328 0.295 0.000 1.113 200 H CA 0.432 56.648 56.048 0.280 0.000 1.479 200 H CB -0.404 29.441 29.762 0.139 0.000 1.493 200 H HN 0.279 8.621 8.280 0.103 0.000 0.486 201 H N 3.790 122.992 119.070 0.220 0.000 2.905 201 H HA 0.190 4.744 4.556 -0.003 0.000 0.280 201 H C -1.558 173.827 175.328 0.094 0.000 1.445 201 H CA -0.827 55.258 56.048 0.062 0.000 1.165 201 H CB 1.228 30.994 29.762 0.006 0.000 1.857 201 H HN 0.375 8.768 8.280 0.190 0.000 0.567 202 H N 0.000 119.101 119.070 0.051 0.000 2.539 202 H HA 0.000 4.434 4.556 -0.203 0.000 0.296 202 H CA 0.000 56.030 56.048 -0.030 0.000 1.023 202 H CB 0.000 29.762 29.762 0.000 0.000 1.292 202 H HN 0.000 8.121 8.280 -0.266 0.000 0.496