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 1c5r_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQV DATA SEQUENCE RLXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP GVYTKVcNYV SWIKQTIASN 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 16 I HA 0.000 4.171 4.170 0.001 0.000 0.288 16 I C 0.000 176.094 176.117 -0.038 0.000 1.063 16 I CA 0.000 61.281 61.300 -0.032 0.000 1.566 16 I CB 0.000 37.952 38.000 -0.081 0.000 1.214 17 V N 4.475 124.380 119.914 -0.015 0.000 2.513 17 V HA 0.290 4.509 4.120 -0.029 -0.117 0.299 17 V C 0.454 176.543 176.094 -0.009 0.000 1.035 17 V CA -1.801 60.490 62.300 -0.016 0.000 0.889 17 V CB 1.454 33.275 31.823 -0.004 0.000 0.988 17 V HN 0.818 9.013 8.190 0.008 0.000 0.440 18 G N 6.390 115.181 108.800 -0.014 0.000 2.198 18 G HA2 -0.401 3.552 3.960 -0.011 0.000 0.260 18 G HA3 -0.401 3.696 3.960 -0.029 -0.155 0.260 18 G C -0.674 174.230 174.900 0.006 0.000 1.025 18 G CA 0.613 45.705 45.100 -0.014 0.000 0.769 18 G HN 0.770 9.050 8.290 -0.017 0.000 0.507 19 G N -1.558 107.242 108.800 -0.000 0.000 2.828 19 G HA2 0.557 4.554 3.960 0.063 0.000 0.244 19 G HA3 0.557 4.533 3.960 -0.113 -0.084 0.244 19 G C -1.829 173.106 174.900 0.058 0.000 1.365 19 G CA -1.127 43.967 45.100 -0.010 0.000 1.041 19 G HN -0.696 7.554 8.290 -0.018 0.029 0.560 20 Y N -6.112 114.166 120.300 -0.036 0.000 2.638 20 Y HA 0.415 4.945 4.550 -0.032 0.000 0.339 20 Y C -1.874 173.998 175.900 -0.047 0.000 1.084 20 Y CA -2.767 55.311 58.100 -0.036 0.000 1.068 20 Y CB 1.120 39.562 38.460 -0.030 0.000 1.294 20 Y HN 0.526 8.309 8.280 -0.648 0.108 0.480 21 T N 2.458 117.095 114.554 0.138 0.000 2.834 21 T HA 0.042 4.516 4.350 -0.067 -0.164 0.298 21 T C 0.303 175.064 174.700 0.102 0.000 0.966 21 T CA 1.680 63.803 62.100 0.037 0.000 1.141 21 T CB 0.012 68.915 68.868 0.058 0.000 0.905 21 T HN 0.175 8.540 8.240 0.209 0.000 0.535 22 c N 6.585 125.150 118.600 -0.058 0.000 2.453 22 c HA -0.070 4.544 4.570 0.073 0.000 0.277 22 c C -0.003 174.116 174.090 0.048 0.000 1.262 22 c CA 0.888 57.205 56.329 -0.019 0.000 1.718 22 c CB -0.374 42.043 42.510 -0.154 0.000 2.031 22 c HN 0.448 8.592 8.230 -0.144 0.000 0.480 23 G N -2.546 106.262 108.800 0.013 0.000 2.697 23 G HA2 -0.242 3.736 3.960 0.029 0.000 0.684 23 G HA3 -0.242 3.737 3.960 0.031 0.000 0.684 23 G C -1.951 172.951 174.900 0.004 0.000 1.274 23 G CA -0.702 44.411 45.100 0.023 0.000 0.806 23 G HN -0.606 7.674 8.290 -0.017 0.000 0.644 24 A N 3.518 126.348 122.820 0.016 0.000 2.566 24 A HA -0.191 4.423 4.320 0.029 -0.276 0.245 24 A C -0.173 177.416 177.584 0.008 0.000 1.056 24 A CA 1.165 53.214 52.037 0.021 0.000 0.757 24 A CB -0.188 18.830 19.000 0.030 0.000 0.979 24 A HN 0.218 8.382 8.150 0.022 0.000 0.508 25 N N -1.476 117.226 118.700 0.002 0.000 2.727 25 N HA -0.339 4.387 4.740 -0.024 0.000 0.249 25 N C 0.235 175.723 175.510 -0.037 0.000 1.048 25 N CA 1.354 54.394 53.050 -0.016 0.000 0.714 25 N CB -1.334 37.155 38.487 0.003 0.000 0.959 25 N HN 0.446 8.835 8.380 0.016 0.000 0.544 26 T N -4.065 110.456 114.554 -0.055 0.000 3.044 26 T HA 0.000 4.337 4.350 -0.022 0.000 0.250 26 T C -0.377 174.259 174.700 -0.106 0.000 1.081 26 T CA 1.205 63.278 62.100 -0.045 0.000 1.040 26 T CB 0.780 69.639 68.868 -0.015 0.000 0.962 26 T HN -0.504 7.698 8.240 -0.063 0.000 0.506 27 V N 2.466 122.252 119.914 -0.213 0.000 2.233 27 V HA 0.375 4.208 4.120 -0.478 0.000 0.261 27 V C -1.079 174.667 176.094 -0.579 0.000 1.076 27 V CA -3.704 58.303 62.300 -0.488 0.000 1.001 27 V CB 0.325 31.860 31.823 -0.480 0.000 1.206 27 V HN -0.380 7.655 8.190 -0.182 0.046 0.468 28 P HA 0.017 4.463 4.420 -0.110 -0.092 0.228 28 P C 0.113 177.350 177.300 -0.104 0.000 1.151 28 P CA 1.653 64.663 63.100 -0.149 0.000 0.770 28 P CB 0.044 31.735 31.700 -0.015 0.000 0.786 29 Y N -5.773 114.552 120.300 0.042 0.000 2.466 29 Y HA 0.538 5.289 4.550 0.055 -0.168 0.272 29 Y C -0.573 175.365 175.900 0.063 0.000 1.169 29 Y CA -3.543 54.587 58.100 0.051 0.000 1.285 29 Y CB -1.417 37.068 38.460 0.042 0.000 1.078 29 Y HN -0.418 7.232 8.280 -0.944 0.064 0.523 30 Q N 2.124 121.796 119.800 -0.213 0.000 2.314 30 Q HA 0.300 4.844 4.340 0.114 -0.136 0.258 30 Q C -0.631 175.454 176.000 0.141 0.000 0.954 30 Q CA -0.062 55.731 55.803 -0.017 0.000 0.890 30 Q CB 1.187 29.813 28.738 -0.186 0.000 1.210 30 Q HN -0.448 7.360 8.270 -0.483 0.173 0.410 31 V N 5.810 125.850 119.914 0.209 0.000 2.864 31 V HA 0.433 4.794 4.120 0.193 -0.125 0.314 31 V C -1.527 174.735 176.094 0.280 0.000 1.073 31 V CA -1.638 60.785 62.300 0.206 0.000 0.956 31 V CB 4.104 36.005 31.823 0.129 0.000 1.023 31 V HN 0.277 8.588 8.190 0.202 0.000 0.435 32 S N 2.364 118.139 115.700 0.126 0.000 2.519 32 S HA 0.473 5.203 4.470 0.224 -0.126 0.309 32 S C -1.496 173.009 174.600 -0.158 0.000 1.100 32 S CA -1.720 56.498 58.200 0.030 0.000 1.059 32 S CB 1.461 64.480 63.200 -0.301 0.000 1.008 32 S HN 0.012 8.361 8.310 0.065 0.000 0.478 33 L N 6.500 127.488 121.223 -0.392 0.000 2.289 33 L HA 0.560 4.853 4.340 -0.302 -0.134 0.285 33 L C -1.472 175.016 176.870 -0.638 0.000 1.049 33 L CA -0.874 53.625 54.840 -0.568 0.000 0.804 33 L CB 1.280 42.747 42.059 -0.986 0.000 1.195 33 L HN 0.900 8.841 8.230 -0.482 0.000 0.428 38 G N 0.199 108.774 108.800 -0.376 0.000 2.218 38 G HA2 -0.261 3.631 3.960 -0.115 0.000 0.216 38 G HA3 -0.261 3.667 3.960 -0.053 0.000 0.216 38 G C -1.557 173.322 174.900 -0.034 0.000 0.994 38 G CA 0.261 45.264 45.100 -0.161 0.000 0.637 38 G HN 0.283 8.668 8.290 -0.319 -0.286 0.505 39 Y N -6.635 113.646 120.300 -0.032 0.000 2.702 39 Y HA 0.236 4.753 4.550 -0.055 0.000 0.336 39 Y C -2.425 173.494 175.900 0.033 0.000 1.203 39 Y CA -3.260 54.826 58.100 -0.023 0.000 1.072 39 Y CB 0.722 39.168 38.460 -0.024 0.000 1.327 39 Y HN -1.170 6.646 8.280 -0.788 -0.009 0.456 40 H N 2.376 121.466 119.070 0.032 0.000 2.767 40 H HA 0.053 4.664 4.556 -0.211 -0.181 0.316 40 H C -0.430 174.995 175.328 0.162 0.000 1.059 40 H CA -0.265 55.741 56.048 -0.070 0.000 1.461 40 H CB 0.361 30.024 29.762 -0.165 0.000 1.475 40 H HN 0.260 8.677 8.280 0.228 0.000 0.531 41 F N 2.458 122.074 119.950 -0.556 0.000 2.784 41 F HA 0.308 4.787 4.527 -0.079 0.000 0.316 41 F C -1.613 173.940 175.800 -0.412 0.000 1.026 41 F CA -0.571 57.261 58.000 -0.281 0.000 1.188 41 F CB 1.669 40.624 39.000 -0.074 0.000 0.999 41 F HN 0.088 7.812 8.300 -0.960 0.000 0.605 42 c N -1.640 116.232 118.600 -1.213 0.000 3.318 42 c HA 0.399 4.829 4.570 -0.234 0.000 0.322 42 c C -1.535 172.341 174.090 -0.357 0.000 1.398 42 c CA -0.389 55.596 56.329 -0.573 0.000 1.339 42 c CB 4.134 46.388 42.510 -0.427 0.000 1.668 42 c HN -0.830 6.362 8.230 -1.729 0.000 0.462 43 G N -0.836 107.961 108.800 -0.005 0.000 2.552 43 G HA2 0.780 5.093 3.960 0.285 0.000 0.318 43 G HA3 0.780 4.885 3.960 0.241 0.000 0.318 43 G C -2.474 172.461 174.900 0.058 0.000 1.240 43 G CA -1.546 43.657 45.100 0.173 0.000 1.002 43 G HN 0.757 9.052 8.290 0.009 0.000 0.493 44 G N -3.829 105.038 108.800 0.112 0.000 2.559 44 G HA2 0.591 4.856 3.960 0.082 0.000 0.291 44 G HA3 0.591 4.589 3.960 0.065 0.000 0.291 44 G C -2.955 172.035 174.900 0.150 0.000 1.424 44 G CA 0.139 45.296 45.100 0.095 0.000 0.786 44 G HN -0.522 7.872 8.290 0.173 0.000 0.485 45 S N -0.744 115.047 115.700 0.152 0.000 2.521 45 S HA 0.861 5.696 4.470 0.276 -0.199 0.295 45 S C -1.451 173.252 174.600 0.170 0.000 1.098 45 S CA -0.935 57.386 58.200 0.201 0.000 0.999 45 S CB 3.845 67.142 63.200 0.163 0.000 1.034 45 S HN 0.265 8.651 8.310 0.127 0.000 0.483 46 L N 5.592 126.932 121.223 0.195 0.000 2.281 46 L HA 0.251 4.791 4.340 0.145 -0.113 0.285 46 L C -0.678 176.275 176.870 0.139 0.000 1.074 46 L CA -0.450 54.485 54.840 0.158 0.000 0.817 46 L CB 1.318 43.469 42.059 0.153 0.000 1.168 46 L HN 0.267 8.653 8.230 0.261 0.000 0.434 47 I N -0.215 120.432 120.570 0.130 0.000 4.035 47 I HA 0.440 4.801 4.170 0.064 -0.153 0.321 47 I C -0.899 175.276 176.117 0.096 0.000 1.289 47 I CA -0.439 60.916 61.300 0.092 0.000 1.236 47 I CB 0.829 38.873 38.000 0.074 0.000 1.076 47 I HN 0.446 8.750 8.210 0.157 0.000 0.418 48 N N -2.897 115.881 118.700 0.130 0.000 3.348 48 N HA 0.114 4.908 4.740 0.090 0.000 0.233 48 N C -0.433 175.149 175.510 0.120 0.000 1.440 48 N CA -0.330 52.791 53.050 0.118 0.000 0.887 48 N CB 1.250 39.813 38.487 0.128 0.000 1.410 48 N HN -0.975 7.496 8.380 0.152 0.000 0.502 49 S N -1.050 114.704 115.700 0.090 0.000 2.407 49 S HA -0.426 4.075 4.470 0.051 0.000 0.235 49 S C 0.955 175.573 174.600 0.030 0.000 1.036 49 S CA 2.865 61.100 58.200 0.057 0.000 1.013 49 S CB 0.018 63.244 63.200 0.042 0.000 0.820 49 S HN 0.507 8.866 8.310 0.082 0.000 0.476 50 Q N -2.630 117.194 119.800 0.039 0.000 2.217 50 Q HA 0.224 4.474 4.340 -0.149 0.000 0.217 50 Q C -0.967 174.852 176.000 -0.301 0.000 0.844 50 Q CA 0.116 55.840 55.803 -0.133 0.000 0.957 50 Q CB 1.086 29.720 28.738 -0.174 0.000 1.127 50 Q HN 0.007 8.314 8.270 0.120 0.035 0.503 51 W N -2.043 119.260 121.300 0.005 0.000 2.915 51 W HA 0.601 5.451 4.660 0.002 -0.189 0.337 51 W C -1.717 174.811 176.519 0.015 0.000 1.102 51 W CA -0.788 56.557 57.345 0.001 0.000 1.224 51 W CB 3.856 33.303 29.460 -0.021 0.000 1.416 51 W HN -0.413 7.898 8.180 0.217 0.000 0.503 52 V N 1.422 121.497 119.914 0.268 0.000 2.735 52 V HA 0.868 5.264 4.120 0.170 -0.174 0.310 52 V C -2.072 174.135 176.094 0.188 0.000 1.061 52 V CA -1.566 60.843 62.300 0.181 0.000 0.913 52 V CB 3.888 35.777 31.823 0.110 0.000 1.005 52 V HN 0.913 9.277 8.190 0.290 0.000 0.428 53 V N 5.884 125.885 119.914 0.145 0.000 2.628 53 V HA 0.987 5.381 4.120 0.149 -0.185 0.306 53 V C -2.136 174.019 176.094 0.102 0.000 1.045 53 V CA -2.768 59.610 62.300 0.129 0.000 0.905 53 V CB 3.340 35.230 31.823 0.112 0.000 0.997 53 V HN 0.377 8.648 8.190 0.135 0.000 0.436 54 S N 6.357 122.106 115.700 0.082 0.000 2.929 54 S HA 0.531 5.220 4.470 0.049 -0.190 0.311 54 S C -2.278 172.327 174.600 0.007 0.000 1.213 54 S CA -2.179 56.045 58.200 0.040 0.000 0.908 54 S CB 2.166 65.375 63.200 0.016 0.000 1.287 54 S HN 0.570 8.937 8.310 0.096 0.000 0.594 55 A N -0.406 122.383 122.820 -0.052 0.000 2.306 55 A HA 0.472 4.914 4.320 -0.063 -0.159 0.314 55 A C 0.581 178.069 177.584 -0.161 0.000 1.164 55 A CA -1.605 50.369 52.037 -0.105 0.000 0.822 55 A CB 1.446 20.341 19.000 -0.174 0.000 1.130 55 A HN 0.291 8.398 8.150 -0.072 0.000 0.496 56 A N 5.753 128.422 122.820 -0.252 0.000 1.978 56 A HA -0.270 3.909 4.320 -0.235 0.000 0.220 56 A C 1.335 178.716 177.584 -0.337 0.000 1.170 56 A CA 2.795 54.562 52.037 -0.450 0.000 0.636 56 A CB -0.391 17.930 19.000 -1.131 0.000 0.810 56 A HN 0.603 8.623 8.150 -0.236 -0.011 0.448 57 H N -4.160 114.775 119.070 -0.225 0.000 2.561 57 H HA -0.098 4.513 4.556 0.092 0.000 0.278 57 H C 0.185 175.577 175.328 0.107 0.000 1.014 57 H CA 1.626 57.697 56.048 0.039 0.000 1.211 57 H CB -1.199 28.648 29.762 0.141 0.000 1.365 57 H HN 0.040 8.533 8.280 -0.141 -0.298 0.594 58 c N -1.674 116.852 118.600 -0.123 0.000 2.791 58 c HA 0.036 4.678 4.570 0.120 0.000 0.270 58 c C 0.319 174.510 174.090 0.167 0.000 1.257 58 c CA -0.086 56.273 56.329 0.051 0.000 1.699 58 c CB -1.544 40.966 42.510 -0.001 0.000 1.904 58 c HN -0.205 7.719 8.230 -0.183 0.197 0.603 59 Y N 2.549 122.856 120.300 0.011 0.000 2.810 59 Y HA -0.282 4.290 4.550 0.036 0.000 0.332 59 Y C -1.192 174.694 175.900 -0.024 0.000 1.243 59 Y CA 1.956 60.062 58.100 0.011 0.000 1.537 59 Y CB 0.397 38.852 38.460 -0.009 0.000 1.265 59 Y HN -0.486 7.696 8.280 0.160 0.194 0.572 60 K N 7.405 127.258 120.400 -0.912 0.000 2.551 60 K HA 0.140 3.949 4.320 -0.852 0.000 0.269 60 K C -1.962 174.163 176.600 -0.790 0.000 0.949 60 K CA -1.095 54.685 56.287 -0.845 0.000 0.849 60 K CB 3.365 35.472 32.500 -0.654 0.000 1.411 60 K HN 0.185 8.014 8.250 -0.702 0.000 0.432 61 S N 0.593 115.961 115.700 -0.553 0.000 2.541 61 S HA 0.074 4.410 4.470 -0.223 0.000 0.283 61 S C 0.906 175.384 174.600 -0.204 0.000 1.196 61 S CA 0.029 58.062 58.200 -0.280 0.000 1.062 61 S CB 0.273 63.381 63.200 -0.153 0.000 1.009 61 S HN 0.125 8.139 8.310 -0.493 0.000 0.502 62 G N 3.956 112.680 108.800 -0.126 0.000 2.370 62 G HA2 -0.346 3.568 3.960 -0.077 0.000 0.268 62 G HA3 -0.346 3.543 3.960 -0.119 0.000 0.268 62 G C -1.859 172.979 174.900 -0.104 0.000 1.122 62 G CA -0.213 44.823 45.100 -0.107 0.000 0.963 62 G HN 0.410 8.646 8.290 -0.091 0.000 0.500 63 I N -1.032 119.501 120.570 -0.063 0.000 2.428 63 I HA 0.117 4.295 4.170 0.014 0.000 0.296 63 I C -1.995 174.102 176.117 -0.033 0.000 0.985 63 I CA -1.096 60.199 61.300 -0.008 0.000 1.260 63 I CB 1.741 39.774 38.000 0.056 0.000 1.389 63 I HN -0.421 7.755 8.210 -0.056 0.000 0.484 64 Q N 5.145 124.914 119.800 -0.052 0.000 2.340 64 Q HA 0.452 4.862 4.340 -0.050 -0.099 0.268 64 Q C -1.762 174.188 176.000 -0.084 0.000 1.031 64 Q CA -1.315 54.444 55.803 -0.074 0.000 0.804 64 Q CB 3.926 32.591 28.738 -0.122 0.000 1.286 64 Q HN 0.294 8.538 8.270 -0.043 0.000 0.448 65 V N 6.889 126.775 119.914 -0.046 0.000 2.439 65 V HA 0.265 4.467 4.120 -0.069 -0.123 0.282 65 V C -1.272 174.831 176.094 0.016 0.000 1.039 65 V CA -0.263 62.018 62.300 -0.032 0.000 0.913 65 V CB 1.219 33.038 31.823 -0.007 0.000 0.983 65 V HN 1.118 9.184 8.190 -0.025 0.110 0.460 66 R N 6.185 126.690 120.500 0.008 0.000 2.409 66 R HA 0.715 5.436 4.340 0.322 -0.187 0.313 66 R C -0.965 175.414 176.300 0.131 0.000 0.953 66 R CA -1.309 54.869 56.100 0.130 0.000 0.849 66 R CB 1.832 32.099 30.300 -0.056 0.000 1.171 66 R HN 0.491 8.738 8.270 -0.037 0.000 0.458 70 E N 0.006 120.303 120.200 0.162 0.000 2.283 70 E HA 0.240 4.676 4.350 0.143 0.000 0.271 70 E C -1.901 174.892 176.600 0.320 0.000 1.031 70 E CA -0.205 56.316 56.400 0.201 0.000 0.868 70 E CB 1.555 31.321 29.700 0.109 0.000 1.094 70 E HN -0.467 7.978 8.360 0.184 0.025 0.401 71 D N 1.294 121.864 120.400 0.283 0.000 3.001 71 D HA 0.055 4.905 4.640 0.350 0.000 0.183 71 D C -1.152 175.359 176.300 0.351 0.000 1.502 71 D CA 1.230 55.408 54.000 0.296 0.000 1.490 71 D CB 2.510 43.395 40.800 0.141 0.000 1.274 71 D HN 0.122 8.606 8.370 0.191 0.000 0.269 72 N N 1.043 119.852 118.700 0.182 0.000 2.408 72 N HA 0.367 5.379 4.740 0.184 -0.162 0.257 72 N C 2.061 177.579 175.510 0.014 0.000 1.064 72 N CA -0.886 52.239 53.050 0.125 0.000 0.952 72 N CB 0.744 39.279 38.487 0.079 0.000 1.093 72 N HN -0.594 8.115 8.380 0.135 -0.248 0.490 73 I N 0.118 120.608 120.570 -0.134 0.000 3.291 73 I HA 0.047 4.246 4.170 -0.262 -0.186 0.279 73 I C -0.395 175.631 176.117 -0.152 0.000 1.294 73 I CA 1.039 62.163 61.300 -0.293 0.000 1.428 73 I CB -0.708 36.889 38.000 -0.672 0.000 1.070 73 I HN 0.691 8.836 8.210 -0.108 0.000 0.478 74 N N -1.957 116.701 118.700 -0.070 0.000 2.236 74 N HA 0.126 4.838 4.740 -0.047 0.000 0.196 74 N C -0.978 174.532 175.510 0.000 0.000 1.114 74 N CA -0.006 53.025 53.050 -0.032 0.000 0.859 74 N CB 2.054 40.535 38.487 -0.011 0.000 0.982 74 N HN -0.080 8.569 8.380 -0.045 -0.295 0.493 75 V N 0.459 120.382 119.914 0.015 0.000 2.531 75 V HA 0.050 4.189 4.120 0.032 0.000 0.301 75 V C -1.324 174.801 176.094 0.052 0.000 1.034 75 V CA -0.993 61.327 62.300 0.033 0.000 0.865 75 V CB 2.972 34.814 31.823 0.032 0.000 0.995 75 V HN -0.839 7.394 8.190 0.006 -0.040 0.424 76 V N 8.004 127.953 119.914 0.060 0.000 2.387 76 V HA -0.213 4.133 4.120 0.091 -0.172 0.260 76 V C 0.271 176.380 176.094 0.026 0.000 1.054 76 V CA 0.880 63.217 62.300 0.061 0.000 0.967 76 V CB -0.414 31.443 31.823 0.057 0.000 1.036 76 V HN 0.344 8.566 8.190 0.052 0.000 0.481 77 E N 8.957 129.170 120.200 0.022 0.000 2.472 77 E HA 0.048 4.406 4.350 0.013 0.000 0.196 77 E C 0.488 177.084 176.600 -0.006 0.000 1.033 77 E CA 0.046 56.454 56.400 0.013 0.000 0.886 77 E CB 0.366 30.082 29.700 0.026 0.000 0.944 77 E HN 0.501 9.305 8.360 0.032 -0.425 0.492 78 G N -1.317 107.466 108.800 -0.029 0.000 2.278 78 G HA2 -0.334 3.589 3.960 -0.061 0.000 0.210 78 G HA3 -0.334 3.607 3.960 -0.030 0.000 0.210 78 G C -0.057 174.809 174.900 -0.057 0.000 1.000 78 G CA 0.304 45.377 45.100 -0.045 0.000 0.635 78 G HN 0.046 8.500 8.290 -0.036 -0.186 0.495 79 N N 0.412 119.086 118.700 -0.044 0.000 2.273 79 N HA 0.086 4.797 4.740 -0.048 0.000 0.231 79 N C -1.704 173.768 175.510 -0.063 0.000 1.134 79 N CA -0.620 52.405 53.050 -0.042 0.000 0.856 79 N CB 0.657 39.138 38.487 -0.010 0.000 1.068 79 N HN 0.334 8.698 8.380 -0.026 0.000 0.510 80 E N -0.261 119.860 120.200 -0.132 0.000 2.250 80 E HA 0.463 5.002 4.350 -0.063 -0.227 0.269 80 E C -0.312 176.099 176.600 -0.314 0.000 1.018 80 E CA -0.782 55.501 56.400 -0.195 0.000 0.873 80 E CB 1.308 30.826 29.700 -0.303 0.000 1.134 80 E HN -0.492 7.706 8.360 -0.155 0.069 0.403 81 Q N 0.292 119.966 119.800 -0.211 0.000 2.274 81 Q HA 0.325 4.510 4.340 -0.258 0.000 0.268 81 Q C -1.424 174.611 176.000 0.057 0.000 1.015 81 Q CA -1.114 54.598 55.803 -0.152 0.000 0.775 81 Q CB 3.297 32.011 28.738 -0.042 0.000 1.256 81 Q HN 0.438 8.675 8.270 -0.055 0.000 0.442 82 F N 3.835 123.767 119.950 -0.031 0.000 2.375 82 F HA 0.826 5.511 4.527 -0.045 -0.185 0.361 82 F C 0.064 175.840 175.800 -0.039 0.000 1.117 82 F CA -1.601 56.376 58.000 -0.040 0.000 1.037 82 F CB 1.551 40.526 39.000 -0.042 0.000 1.192 82 F HN 0.329 8.581 8.300 -0.080 0.000 0.452 83 I N 4.540 125.190 120.570 0.132 0.000 2.545 83 I HA 0.331 4.529 4.170 0.046 0.000 0.292 83 I C -1.003 175.120 176.117 0.010 0.000 1.040 83 I CA -1.349 59.980 61.300 0.047 0.000 1.068 83 I CB 4.043 42.053 38.000 0.018 0.000 1.251 83 I HN 0.985 9.271 8.210 0.126 0.000 0.424 84 S N 6.272 121.967 115.700 -0.008 0.000 2.601 84 S HA 0.181 4.750 4.470 -0.030 -0.117 0.271 84 S C -0.683 173.889 174.600 -0.046 0.000 1.305 84 S CA 0.284 58.468 58.200 -0.028 0.000 1.022 84 S CB 1.025 64.208 63.200 -0.027 0.000 0.940 84 S HN 0.456 8.764 8.310 -0.004 0.000 0.525 85 A N 2.548 125.339 122.820 -0.047 0.000 2.354 85 A HA 0.326 4.728 4.320 -0.092 -0.137 0.269 85 A C -0.358 177.187 177.584 -0.065 0.000 1.109 85 A CA -0.668 51.331 52.037 -0.064 0.000 0.800 85 A CB 0.815 19.794 19.000 -0.034 0.000 1.045 85 A HN -0.317 7.809 8.150 -0.039 0.000 0.489 86 S N 2.222 117.863 115.700 -0.098 0.000 2.483 86 S HA 0.111 4.548 4.470 -0.055 0.000 0.221 86 S C 0.381 174.950 174.600 -0.051 0.000 1.030 86 S CA 1.004 59.157 58.200 -0.079 0.000 0.925 86 S CB 1.166 64.299 63.200 -0.111 0.000 0.795 86 S HN 0.530 8.753 8.310 -0.146 0.000 0.511 87 K N -0.149 120.216 120.400 -0.058 0.000 2.610 87 K HA 0.236 4.580 4.320 0.040 0.000 0.278 87 K C -2.611 174.021 176.600 0.053 0.000 0.964 87 K CA -0.119 56.175 56.287 0.012 0.000 0.859 87 K CB 2.502 35.020 32.500 0.029 0.000 1.434 87 K HN -0.777 7.410 8.250 -0.106 0.000 0.410 88 S N 1.111 116.887 115.700 0.127 0.000 2.526 88 S HA 0.897 5.654 4.470 0.188 -0.174 0.293 88 S C -0.794 173.920 174.600 0.189 0.000 1.092 88 S CA -0.732 57.581 58.200 0.188 0.000 0.980 88 S CB 2.778 66.137 63.200 0.266 0.000 1.048 88 S HN 0.157 8.544 8.310 0.129 0.000 0.483 89 I N 6.721 127.421 120.570 0.216 0.000 2.468 89 I HA 0.197 4.456 4.170 0.147 0.000 0.284 89 I C -1.720 174.532 176.117 0.225 0.000 1.038 89 I CA -0.438 60.987 61.300 0.209 0.000 1.083 89 I CB 2.884 41.033 38.000 0.248 0.000 1.223 89 I HN 0.972 9.330 8.210 0.246 0.000 0.443 90 V N 6.918 126.896 119.914 0.107 0.000 2.644 90 V HA -0.065 4.101 4.120 0.076 0.000 0.295 90 V C -0.511 175.629 176.094 0.077 0.000 1.053 90 V CA -1.221 61.107 62.300 0.047 0.000 0.987 90 V CB 1.272 33.029 31.823 -0.110 0.000 1.006 90 V HN 0.230 8.444 8.190 0.040 0.000 0.472 91 H N 7.307 126.307 119.070 -0.116 0.000 3.034 91 H HA -0.060 4.073 4.556 -0.704 0.000 0.324 91 H C 0.044 175.255 175.328 -0.195 0.000 1.015 91 H CA 0.168 55.954 56.048 -0.437 0.000 1.429 91 H CB 1.726 31.120 29.762 -0.613 0.000 1.429 91 H HN -0.199 8.090 8.280 0.014 0.000 0.585 92 P HA -0.161 4.186 4.420 -0.122 0.000 0.218 92 P C -0.368 176.882 177.300 -0.083 0.000 1.146 92 P CA 1.796 64.733 63.100 -0.271 0.000 0.820 92 P CB 0.261 31.776 31.700 -0.308 0.000 0.778 93 S N -2.829 112.920 115.700 0.082 0.000 2.574 93 S HA 0.059 4.572 4.470 0.071 0.000 0.242 93 S C -1.125 173.595 174.600 0.200 0.000 0.982 93 S CA -0.108 58.198 58.200 0.177 0.000 0.977 93 S CB 0.884 64.203 63.200 0.198 0.000 0.814 93 S HN -0.379 7.944 8.310 0.083 0.036 0.464 94 Y N 4.162 124.521 120.300 0.097 0.000 2.526 94 Y HA -0.237 4.516 4.550 -0.004 -0.205 0.330 94 Y C -0.804 175.097 175.900 0.000 0.000 1.156 94 Y CA 0.802 58.915 58.100 0.022 0.000 1.419 94 Y CB 0.916 39.382 38.460 0.010 0.000 1.250 94 Y HN -0.626 7.772 8.280 0.304 0.065 0.540 95 N N 7.731 126.057 118.700 -0.622 0.000 2.564 95 N HA 0.237 4.718 4.740 -0.432 0.000 0.248 95 N C -0.220 174.750 175.510 -0.901 0.000 0.986 95 N CA -1.155 51.556 53.050 -0.565 0.000 0.921 95 N CB 1.223 39.544 38.487 -0.278 0.000 1.136 95 N HN -0.083 8.013 8.380 -0.473 0.000 0.509 96 S N 6.174 121.341 115.700 -0.889 0.000 2.507 96 S HA -0.116 3.963 4.470 -0.652 0.000 0.235 96 S C 0.933 175.361 174.600 -0.286 0.000 0.988 96 S CA 2.423 60.293 58.200 -0.549 0.000 0.944 96 S CB -0.225 62.862 63.200 -0.188 0.000 0.762 96 S HN 0.730 8.635 8.310 -0.676 0.000 0.526 97 N N 1.212 119.745 118.700 -0.278 0.000 2.251 97 N HA -0.044 4.588 4.740 -0.181 0.000 0.181 97 N C 1.075 176.435 175.510 -0.250 0.000 1.019 97 N CA 2.347 55.272 53.050 -0.210 0.000 0.862 97 N CB 0.737 39.126 38.487 -0.164 0.000 0.992 97 N HN -0.185 8.174 8.380 -0.313 -0.166 0.429 98 T N -3.928 110.469 114.554 -0.261 0.000 3.014 98 T HA 0.091 4.245 4.350 -0.327 0.000 0.250 98 T C 0.101 174.617 174.700 -0.306 0.000 1.060 98 T CA 0.020 61.955 62.100 -0.275 0.000 1.040 98 T CB 1.559 70.322 68.868 -0.176 0.000 0.971 98 T HN -0.534 7.777 8.240 -0.265 -0.230 0.497 99 L N -3.948 117.127 121.223 -0.246 0.000 4.351 99 L HA -0.484 3.930 4.340 0.014 -0.066 0.410 99 L C -1.936 174.979 176.870 0.075 0.000 1.150 99 L CA 0.471 55.276 54.840 -0.058 0.000 0.961 99 L CB -2.674 39.318 42.059 -0.113 0.000 2.130 99 L HN -0.020 8.031 8.230 -0.299 0.000 0.787 100 N N -0.543 118.147 118.700 -0.016 0.000 2.497 100 N HA -0.136 4.668 4.740 0.105 0.000 0.268 100 N C -0.217 175.351 175.510 0.096 0.000 1.171 100 N CA 0.709 53.790 53.050 0.051 0.000 0.948 100 N CB 1.107 39.594 38.487 0.000 0.000 1.069 100 N HN -0.766 7.499 8.380 -0.122 0.042 0.460 101 N N -0.536 118.228 118.700 0.105 0.000 2.780 101 N HA -0.466 4.240 4.740 -0.058 0.000 0.247 101 N C -1.294 174.229 175.510 0.021 0.000 1.076 101 N CA 1.282 54.306 53.050 -0.043 0.000 0.688 101 N CB -1.603 36.754 38.487 -0.217 0.000 0.957 101 N HN 0.638 9.098 8.380 0.133 0.000 0.551 102 D N -0.665 119.791 120.400 0.093 0.000 2.608 102 D HA 0.075 4.723 4.640 0.014 0.000 0.224 102 D C -2.035 174.199 176.300 -0.111 0.000 1.123 102 D CA -0.372 53.671 54.000 0.070 0.000 1.030 102 D CB -0.820 40.120 40.800 0.233 0.000 1.093 102 D HN -0.047 8.388 8.370 0.109 0.000 0.497 103 I N 1.370 121.805 120.570 -0.224 0.000 2.802 103 I HA 0.770 5.064 4.170 -0.092 -0.180 0.298 103 I C -3.043 173.046 176.117 -0.047 0.000 1.176 103 I CA -1.783 59.418 61.300 -0.166 0.000 1.025 103 I CB 4.079 41.870 38.000 -0.349 0.000 1.243 103 I HN -0.242 7.773 8.210 -0.249 0.046 0.424 104 M N 6.049 125.695 119.600 0.078 0.000 2.470 104 M HA 0.806 5.595 4.480 0.270 -0.147 0.285 104 M C -2.864 173.573 176.300 0.229 0.000 1.213 104 M CA -0.953 54.454 55.300 0.178 0.000 0.901 104 M CB 4.876 37.524 32.600 0.080 0.000 1.718 104 M HN 0.443 8.773 8.290 0.067 0.000 0.469 105 L N 1.872 123.259 121.223 0.273 0.000 2.346 105 L HA 0.903 5.572 4.340 0.238 -0.186 0.274 105 L C -1.412 175.654 176.870 0.326 0.000 1.007 105 L CA -1.499 53.503 54.840 0.269 0.000 0.818 105 L CB 3.681 45.834 42.059 0.157 0.000 1.284 105 L HN 0.504 8.922 8.230 0.312 0.000 0.424 106 I N 0.982 121.738 120.570 0.310 0.000 2.447 106 I HA 0.511 4.922 4.170 0.130 -0.164 0.287 106 I C -1.718 174.362 176.117 -0.061 0.000 1.023 106 I CA -1.219 60.165 61.300 0.139 0.000 1.083 106 I CB 3.024 41.076 38.000 0.086 0.000 1.245 106 I HN 0.933 9.346 8.210 0.338 0.000 0.434 107 K N 6.826 126.985 120.400 -0.402 0.000 2.130 107 K HA 0.716 4.408 4.320 -1.326 -0.167 0.268 107 K C -1.157 175.154 176.600 -0.481 0.000 0.983 107 K CA -1.894 53.793 56.287 -1.000 0.000 0.893 107 K CB 3.166 34.867 32.500 -1.331 0.000 1.066 107 K HN 0.627 8.736 8.250 -0.236 0.000 0.450 108 L N 3.990 124.951 121.223 -0.436 0.000 2.399 108 L HA 0.207 4.445 4.340 -0.170 0.000 0.266 108 L C 1.665 178.415 176.870 -0.200 0.000 1.114 108 L CA -0.204 54.499 54.840 -0.228 0.000 0.804 108 L CB 0.597 42.563 42.059 -0.155 0.000 1.146 108 L HN 0.685 8.467 8.230 -0.576 0.102 0.451 109 K N 1.473 121.798 120.400 -0.125 0.000 2.155 109 K HA -0.232 4.024 4.320 -0.107 0.000 0.203 109 K C 0.028 176.579 176.600 -0.081 0.000 1.052 109 K CA 2.491 58.721 56.287 -0.095 0.000 0.948 109 K CB 0.493 32.957 32.500 -0.060 0.000 0.728 109 K HN 0.380 8.570 8.250 -0.100 0.000 0.448 110 S N -3.873 111.784 115.700 -0.073 0.000 2.599 110 S HA 0.135 4.573 4.470 -0.053 0.000 0.287 110 S C -1.776 172.789 174.600 -0.058 0.000 1.105 110 S CA -1.283 56.885 58.200 -0.054 0.000 0.899 110 S CB 2.552 65.732 63.200 -0.034 0.000 1.100 110 S HN -0.564 7.688 8.310 -0.073 0.015 0.482 111 A N 2.042 124.836 122.820 -0.044 0.000 2.409 111 A HA 0.053 4.479 4.320 -0.047 -0.135 0.262 111 A C -0.554 177.019 177.584 -0.017 0.000 1.113 111 A CA -0.383 51.634 52.037 -0.032 0.000 0.790 111 A CB 0.713 19.705 19.000 -0.015 0.000 1.046 111 A HN 0.233 8.361 8.150 -0.037 0.000 0.496 112 A N 3.772 126.587 122.820 -0.009 0.000 2.406 112 A HA 0.023 4.422 4.320 -0.004 -0.082 0.243 112 A C -0.188 177.399 177.584 0.005 0.000 1.082 112 A CA -0.442 51.596 52.037 0.002 0.000 0.786 112 A CB 0.805 19.815 19.000 0.017 0.000 1.029 112 A HN 0.452 8.496 8.150 -0.010 0.100 0.495 113 S N 0.990 116.691 115.700 0.002 0.000 2.404 113 S HA 0.107 4.579 4.470 0.004 0.000 0.309 113 S C -1.020 173.587 174.600 0.010 0.000 1.076 113 S CA -0.545 57.657 58.200 0.002 0.000 1.095 113 S CB -0.130 63.065 63.200 -0.008 0.000 0.972 113 S HN 0.088 8.775 8.310 -0.003 -0.378 0.484 114 L N 6.792 128.026 121.223 0.018 0.000 2.371 114 L HA 0.024 4.486 4.340 0.030 -0.104 0.272 114 L C -0.343 176.539 176.870 0.020 0.000 1.124 114 L CA 0.004 54.860 54.840 0.026 0.000 0.816 114 L CB 0.372 42.453 42.059 0.035 0.000 1.129 114 L HN 0.274 8.514 8.230 0.018 0.000 0.448 115 N N 3.421 122.134 118.700 0.022 0.000 3.526 115 N HA 0.198 4.948 4.740 0.016 0.000 0.328 115 N C -0.609 174.914 175.510 0.021 0.000 1.601 115 N CA -0.647 52.413 53.050 0.016 0.000 0.834 115 N CB 0.819 39.310 38.487 0.008 0.000 1.983 115 N HN 0.435 8.722 8.380 0.027 0.109 0.579 116 S N -1.447 114.263 115.700 0.016 0.000 2.423 116 S HA -0.250 4.234 4.470 0.024 0.000 0.231 116 S C 0.567 175.178 174.600 0.017 0.000 1.014 116 S CA 2.779 60.990 58.200 0.018 0.000 0.965 116 S CB -0.238 62.970 63.200 0.013 0.000 0.785 116 S HN 0.264 8.581 8.310 0.012 0.000 0.495 117 R N -1.882 118.626 120.500 0.013 0.000 2.254 117 R HA 0.055 4.398 4.340 0.005 0.000 0.195 117 R C -1.269 175.040 176.300 0.015 0.000 0.957 117 R CA 0.513 56.619 56.100 0.010 0.000 1.024 117 R CB 1.336 31.640 30.300 0.007 0.000 0.952 117 R HN -0.157 8.387 8.270 0.011 -0.267 0.484 118 V N -0.953 118.976 119.914 0.024 0.000 2.419 118 V HA 0.302 4.639 4.120 0.040 -0.193 0.287 118 V C -2.067 174.059 176.094 0.055 0.000 1.017 118 V CA -1.181 61.142 62.300 0.038 0.000 0.844 118 V CB 2.041 33.883 31.823 0.033 0.000 1.011 118 V HN -0.466 7.784 8.190 0.023 -0.046 0.429 119 A N 7.067 129.936 122.820 0.081 0.000 2.527 119 A HA 0.508 4.876 4.320 0.081 0.000 0.293 119 A C -2.342 175.333 177.584 0.153 0.000 1.117 119 A CA -1.352 50.748 52.037 0.104 0.000 0.723 119 A CB 3.251 22.316 19.000 0.108 0.000 1.313 119 A HN 0.264 8.341 8.150 0.085 0.123 0.411 120 S N -0.873 114.904 115.700 0.129 0.000 2.713 120 S HA 0.678 5.379 4.470 0.167 -0.131 0.283 120 S C -0.840 173.819 174.600 0.097 0.000 1.161 120 S CA -1.488 56.789 58.200 0.128 0.000 0.999 120 S CB 1.953 65.206 63.200 0.088 0.000 1.039 120 S HN -0.017 8.352 8.310 0.099 0.000 0.548 121 I N 0.575 121.157 120.570 0.021 0.000 2.648 121 I HA 0.302 4.403 4.170 -0.116 0.000 0.304 121 I C -1.900 174.170 176.117 -0.078 0.000 1.009 121 I CA -2.052 59.165 61.300 -0.138 0.000 1.114 121 I CB 3.634 41.351 38.000 -0.472 0.000 1.293 121 I HN 0.189 8.426 8.210 0.044 0.000 0.449 122 S N 5.303 120.951 115.700 -0.086 0.000 2.586 122 S HA 0.300 4.753 4.470 -0.028 0.000 0.274 122 S C -0.841 173.730 174.600 -0.049 0.000 1.281 122 S CA -0.769 57.402 58.200 -0.049 0.000 1.035 122 S CB 0.853 64.030 63.200 -0.038 0.000 0.962 122 S HN 0.166 8.407 8.310 -0.115 0.000 0.512 123 L N 2.209 123.416 121.223 -0.026 0.000 2.418 123 L HA 0.189 4.524 4.340 -0.008 0.000 0.265 123 L C -0.982 175.881 176.870 -0.012 0.000 1.143 123 L CA -2.099 52.735 54.840 -0.010 0.000 0.809 123 L CB 0.051 42.112 42.059 0.003 0.000 1.124 123 L HN 0.301 8.518 8.230 -0.020 0.000 0.456 124 P HA 0.108 4.514 4.420 -0.023 0.000 0.276 124 P C -1.106 176.189 177.300 -0.007 0.000 1.244 124 P CA -0.462 62.630 63.100 -0.013 0.000 0.801 124 P CB 0.453 32.145 31.700 -0.014 0.000 1.006 128 c N 0.594 119.162 118.600 -0.053 0.000 2.443 128 c HA 0.120 4.640 4.570 -0.084 0.000 0.369 128 c C 0.051 174.075 174.090 -0.110 0.000 1.241 128 c CA -0.397 55.882 56.329 -0.083 0.000 2.413 128 c CB 0.587 43.050 42.510 -0.078 0.000 2.451 128 c HN -0.038 8.164 8.230 -0.047 0.000 0.595 129 A N 1.549 124.267 122.820 -0.171 0.000 2.282 129 A HA 0.108 4.355 4.320 -0.122 0.000 0.319 129 A C -0.967 176.512 177.584 -0.175 0.000 1.121 129 A CA -0.437 51.498 52.037 -0.170 0.000 0.836 129 A CB 0.982 19.856 19.000 -0.210 0.000 1.146 129 A HN 0.133 8.149 8.150 -0.224 0.000 0.494 133 G N 0.829 109.591 108.800 -0.063 0.000 2.279 133 G HA2 -0.299 3.631 3.960 -0.051 0.000 0.223 133 G HA3 -0.299 3.635 3.960 -0.044 0.000 0.223 133 G C -0.191 174.675 174.900 -0.058 0.000 1.015 133 G CA -0.067 45.001 45.100 -0.053 0.000 0.621 133 G HN 0.672 8.803 8.290 -0.067 0.119 0.506 134 T N 4.666 119.176 114.554 -0.074 0.000 2.902 134 T HA -0.175 4.143 4.350 -0.054 0.000 0.301 134 T C -0.510 174.151 174.700 -0.066 0.000 1.012 134 T CA 2.360 64.417 62.100 -0.071 0.000 1.151 134 T CB 0.353 69.163 68.868 -0.097 0.000 0.946 134 T HN -0.441 7.665 8.240 -0.087 0.082 0.542 135 Q N 4.811 124.586 119.800 -0.042 0.000 2.259 135 Q HA 0.052 4.489 4.340 -0.034 -0.118 0.249 135 Q C -0.878 175.107 176.000 -0.025 0.000 0.914 135 Q CA 0.239 56.027 55.803 -0.024 0.000 0.904 135 Q CB 1.384 30.126 28.738 0.006 0.000 1.213 135 Q HN 0.175 8.425 8.270 -0.034 0.000 0.428 136 c N 0.620 119.207 118.600 -0.022 0.000 2.913 136 c HA 0.607 5.280 4.570 -0.020 -0.115 0.322 136 c C -1.551 172.543 174.090 0.007 0.000 1.292 136 c CA -1.261 55.055 56.329 -0.022 0.000 1.649 136 c CB 4.277 46.754 42.510 -0.055 0.000 2.139 136 c HN 0.668 8.773 8.230 -0.020 0.113 0.475 137 L N 0.815 122.047 121.223 0.015 0.000 2.333 137 L HA 0.788 5.312 4.340 0.038 -0.161 0.280 137 L C -2.307 174.571 176.870 0.014 0.000 1.004 137 L CA -1.300 53.560 54.840 0.034 0.000 0.820 137 L CB 3.345 45.447 42.059 0.072 0.000 1.247 137 L HN 0.758 8.882 8.230 0.008 0.111 0.416 138 I N 7.379 127.940 120.570 -0.015 0.000 2.474 138 I HA 0.886 5.299 4.170 0.005 -0.240 0.294 138 I C -1.388 174.691 176.117 -0.064 0.000 1.005 138 I CA -1.581 59.707 61.300 -0.019 0.000 1.113 138 I CB 2.515 40.506 38.000 -0.015 0.000 1.289 138 I HN 0.950 9.148 8.210 -0.020 0.000 0.436 139 S N 2.928 118.589 115.700 -0.065 0.000 2.588 139 S HA 1.010 5.510 4.470 -0.225 -0.164 0.275 139 S C -1.229 173.253 174.600 -0.196 0.000 1.130 139 S CA -1.736 56.353 58.200 -0.184 0.000 0.855 139 S CB 3.728 66.787 63.200 -0.234 0.000 1.116 139 S HN -0.189 8.116 8.310 -0.008 0.000 0.472 140 G N -0.917 107.676 108.800 -0.344 0.000 2.316 140 G HA2 0.171 3.895 3.960 -0.394 0.000 0.296 140 G HA3 0.171 4.232 3.960 -0.060 -0.137 0.296 140 G C -2.364 172.315 174.900 -0.369 0.000 1.399 140 G CA 0.584 45.506 45.100 -0.297 0.000 0.833 140 G HN 0.359 8.394 8.290 -0.425 0.000 0.565 141 W N 1.274 122.541 121.300 -0.055 0.000 3.015 141 W HA 0.411 5.024 4.660 -0.078 0.000 0.429 141 W C -0.260 176.289 176.519 0.050 0.000 0.976 141 W CA -0.934 56.346 57.345 -0.108 0.000 2.086 141 W CB -0.074 29.141 29.460 -0.409 0.000 1.125 141 W HN 0.585 8.926 8.180 0.270 0.000 0.721 142 G N 0.790 109.726 108.800 0.226 0.000 2.563 142 G HA2 -0.031 4.191 3.960 0.437 0.000 0.283 142 G HA3 -0.031 4.172 3.960 0.186 -0.132 0.283 142 G C -1.116 173.746 174.900 -0.064 0.000 1.309 142 G CA -0.843 44.388 45.100 0.218 0.000 1.022 142 G HN -0.449 8.049 8.290 0.129 -0.131 0.501 143 N N -0.730 117.777 118.700 -0.321 0.000 2.407 143 N HA -0.284 4.001 4.740 -1.030 -0.163 0.250 143 N C 0.753 176.112 175.510 -0.251 0.000 1.236 143 N CA 1.026 53.712 53.050 -0.606 0.000 0.879 143 N CB 0.640 38.829 38.487 -0.495 0.000 1.088 143 N HN 0.027 8.329 8.380 -0.130 0.000 0.450 144 T N 0.103 114.526 114.554 -0.218 0.000 3.085 144 T HA 0.179 4.590 4.350 -0.083 -0.112 0.264 144 T C 0.017 174.671 174.700 -0.076 0.000 1.019 144 T CA 0.131 62.168 62.100 -0.106 0.000 0.910 144 T CB 1.273 70.097 68.868 -0.074 0.000 1.059 144 T HN 0.298 8.371 8.240 -0.278 0.000 0.542 145 K N 1.680 122.028 120.400 -0.087 0.000 2.259 145 K HA 0.367 4.668 4.320 -0.031 0.000 0.249 145 K C -0.166 176.416 176.600 -0.030 0.000 0.942 145 K CA -1.899 54.361 56.287 -0.045 0.000 0.816 145 K CB 2.462 34.940 32.500 -0.037 0.000 1.155 145 K HN -0.613 7.778 8.250 -0.133 -0.221 0.428 146 S N 1.347 117.041 115.700 -0.010 0.000 2.371 146 S HA -0.108 4.366 4.470 0.006 0.000 0.219 146 S C 0.182 174.787 174.600 0.009 0.000 1.040 146 S CA 1.545 59.748 58.200 0.005 0.000 0.958 146 S CB 0.592 63.799 63.200 0.012 0.000 0.860 146 S HN 0.263 8.569 8.310 -0.008 0.000 0.487 147 S N 1.936 117.640 115.700 0.008 0.000 2.695 147 S HA 0.122 4.603 4.470 0.018 0.000 0.275 147 S C -0.576 174.031 174.600 0.010 0.000 1.203 147 S CA 0.039 58.247 58.200 0.013 0.000 1.061 147 S CB -0.416 62.791 63.200 0.012 0.000 1.152 147 S HN -0.393 7.920 8.310 0.004 0.000 0.495 148 G N 3.981 112.789 108.800 0.013 0.000 2.369 148 G HA2 -0.151 3.824 3.960 0.025 0.000 0.295 148 G HA3 -0.151 3.815 3.960 0.010 0.000 0.295 148 G C -2.741 172.166 174.900 0.012 0.000 1.298 148 G CA -0.232 44.877 45.100 0.015 0.000 0.940 148 G HN -0.372 7.928 8.290 0.016 0.000 0.536 149 T N -0.206 114.363 114.554 0.025 0.000 2.881 149 T HA 0.171 4.651 4.350 -0.042 -0.155 0.291 149 T C -1.853 172.862 174.700 0.025 0.000 0.990 149 T CA 0.085 62.206 62.100 0.034 0.000 0.976 149 T CB 1.830 70.785 68.868 0.144 0.000 0.970 149 T HN -0.092 8.168 8.240 0.033 0.000 0.438 150 S N 6.050 121.695 115.700 -0.092 0.000 2.737 150 S HA 0.219 4.736 4.470 0.079 0.000 0.269 150 S C -2.152 172.371 174.600 -0.129 0.000 1.150 150 S CA -0.133 58.054 58.200 -0.023 0.000 1.077 150 S CB 1.181 64.364 63.200 -0.028 0.000 1.075 150 S HN 0.546 9.049 8.310 -0.275 -0.357 0.476 151 Y N 5.965 126.299 120.300 0.056 0.000 2.335 151 Y HA 0.241 4.840 4.550 0.083 0.000 0.339 151 Y C -0.881 175.063 175.900 0.072 0.000 0.987 151 Y CA -2.725 55.419 58.100 0.074 0.000 1.140 151 Y CB 0.935 39.445 38.460 0.083 0.000 1.173 151 Y HN 0.116 8.590 8.280 0.323 0.000 0.486 152 P HA 0.329 4.821 4.420 0.119 0.000 0.276 152 P C -1.651 175.775 177.300 0.209 0.000 1.252 152 P CA -0.595 62.597 63.100 0.153 0.000 0.802 152 P CB 2.018 33.776 31.700 0.098 0.000 1.035 153 D N -1.724 118.782 120.400 0.176 0.000 2.423 153 D HA -0.014 4.705 4.640 0.132 0.000 0.208 153 D C -1.619 174.845 176.300 0.274 0.000 1.068 153 D CA 0.645 54.743 54.000 0.163 0.000 0.860 153 D CB 1.129 41.982 40.800 0.089 0.000 0.992 153 D HN 0.418 8.870 8.370 0.138 0.000 0.504 154 V N -7.500 112.573 119.914 0.264 0.000 2.881 154 V HA 0.657 5.274 4.120 0.392 -0.262 0.316 154 V C -0.849 175.290 176.094 0.074 0.000 1.070 154 V CA -2.904 59.548 62.300 0.253 0.000 0.976 154 V CB 2.370 34.260 31.823 0.111 0.000 1.038 154 V HN -0.946 7.356 8.190 0.186 0.000 0.446 155 L N 2.093 123.220 121.223 -0.160 0.000 2.485 155 L HA -0.086 3.488 4.340 -1.277 0.000 0.275 155 L C -0.285 176.345 176.870 -0.400 0.000 1.207 155 L CA 0.851 55.269 54.840 -0.704 0.000 0.855 155 L CB 0.648 42.279 42.059 -0.712 0.000 1.114 155 L HN 0.213 8.475 8.230 0.054 0.000 0.485 156 K N 4.129 124.264 120.400 -0.443 0.000 2.318 156 K HA 0.721 5.026 4.320 -0.304 -0.167 0.249 156 K C -1.350 175.002 176.600 -0.413 0.000 0.942 156 K CA -2.501 53.584 56.287 -0.338 0.000 0.808 156 K CB 3.138 35.499 32.500 -0.231 0.000 1.189 156 K HN -0.170 7.743 8.250 -0.562 0.000 0.428 157 c N -0.205 118.051 118.600 -0.573 0.000 2.614 157 c HA 1.021 5.536 4.570 -0.404 -0.188 0.320 157 c C -1.803 171.887 174.090 -0.666 0.000 1.200 157 c CA -0.903 55.031 56.329 -0.657 0.000 1.700 157 c CB 3.611 45.595 42.510 -0.877 0.000 2.275 157 c HN 0.904 8.618 8.230 -0.676 0.110 0.492 158 L N 0.950 121.985 121.223 -0.314 0.000 2.493 158 L HA 0.452 4.778 4.340 -0.024 0.000 0.265 158 L C -2.626 174.279 176.870 0.058 0.000 0.954 158 L CA 0.130 54.928 54.840 -0.070 0.000 0.844 158 L CB 4.433 46.481 42.059 -0.018 0.000 1.302 158 L HN 0.778 8.870 8.230 -0.230 0.000 0.405 159 K N 7.312 127.814 120.400 0.171 0.000 2.213 159 K HA 0.874 5.499 4.320 0.106 -0.241 0.270 159 K C -1.086 175.636 176.600 0.203 0.000 1.002 159 K CA -1.170 55.214 56.287 0.161 0.000 0.868 159 K CB 1.459 34.066 32.500 0.180 0.000 1.093 159 K HN 0.307 8.694 8.250 0.229 0.000 0.454 160 A N 5.159 128.046 122.820 0.112 0.000 2.520 160 A HA 0.586 4.967 4.320 0.100 0.000 0.298 160 A C -3.327 174.209 177.584 -0.081 0.000 1.051 160 A CA -2.587 49.471 52.037 0.034 0.000 0.690 160 A CB 2.556 21.573 19.000 0.030 0.000 1.281 160 A HN 0.468 8.651 8.150 0.055 0.000 0.402 161 P HA 0.649 5.223 4.420 -0.087 -0.206 0.282 161 P C -1.061 176.171 177.300 -0.113 0.000 1.259 161 P CA -1.357 61.664 63.100 -0.132 0.000 0.826 161 P CB 1.571 33.191 31.700 -0.134 0.000 1.064 162 I N -0.600 119.923 120.570 -0.078 0.000 2.575 162 I HA -0.055 4.265 4.170 0.074 -0.106 0.285 162 I C 0.240 176.343 176.117 -0.023 0.000 1.085 162 I CA 0.606 61.891 61.300 -0.024 0.000 1.403 162 I CB 0.441 38.361 38.000 -0.133 0.000 1.409 162 I HN 0.018 8.173 8.210 -0.090 0.000 0.557 163 L N 5.759 127.002 121.223 0.034 0.000 2.387 163 L HA 0.309 4.636 4.340 -0.020 0.000 0.266 163 L C -0.331 176.559 176.870 0.032 0.000 1.059 163 L CA -1.143 53.705 54.840 0.014 0.000 0.801 163 L CB 0.808 42.882 42.059 0.026 0.000 1.223 163 L HN 0.302 8.601 8.230 0.115 0.000 0.456 164 S N -0.133 115.578 115.700 0.018 0.000 2.579 164 S HA -0.041 4.436 4.470 0.012 0.000 0.275 164 S C 0.664 175.290 174.600 0.043 0.000 1.345 164 S CA -0.620 57.592 58.200 0.020 0.000 1.031 164 S CB 1.054 64.260 63.200 0.011 0.000 0.892 164 S HN 0.192 8.507 8.310 0.008 0.000 0.529 165 D N 2.906 123.334 120.400 0.046 0.000 2.178 165 D HA -0.253 4.437 4.640 0.084 0.000 0.201 165 D C 1.963 178.297 176.300 0.055 0.000 0.980 165 D CA 3.618 57.655 54.000 0.063 0.000 0.842 165 D CB -0.294 40.539 40.800 0.056 0.000 0.948 165 D HN 0.540 8.930 8.370 0.032 0.000 0.472 166 S N -0.722 115.002 115.700 0.039 0.000 2.356 166 S HA -0.354 4.139 4.470 0.037 0.000 0.223 166 S C 1.872 176.493 174.600 0.035 0.000 1.032 166 S CA 3.178 61.398 58.200 0.034 0.000 1.005 166 S CB -0.110 63.103 63.200 0.022 0.000 0.867 166 S HN 0.148 8.464 8.310 0.031 0.012 0.449 167 S N 2.569 118.287 115.700 0.031 0.000 2.423 167 S HA -0.095 4.384 4.470 0.014 0.000 0.231 167 S C 1.751 176.375 174.600 0.040 0.000 1.014 167 S CA 2.835 61.049 58.200 0.024 0.000 0.965 167 S CB -0.232 62.978 63.200 0.016 0.000 0.785 167 S HN -0.561 7.766 8.310 0.029 0.000 0.495 168 c N 3.802 122.444 118.600 0.069 0.000 2.453 168 c HA -0.227 4.424 4.570 0.135 0.000 0.277 168 c C 2.000 176.181 174.090 0.152 0.000 1.262 168 c CA 2.957 59.357 56.329 0.119 0.000 1.718 168 c CB -1.859 40.720 42.510 0.115 0.000 2.031 168 c HN -0.315 7.847 8.230 0.064 0.106 0.480 169 K N -0.685 119.783 120.400 0.113 0.000 2.148 169 K HA -0.308 4.110 4.320 0.162 0.000 0.204 169 K C 2.217 178.869 176.600 0.087 0.000 1.050 169 K CA 3.174 59.531 56.287 0.116 0.000 0.942 169 K CB 0.015 32.565 32.500 0.084 0.000 0.724 169 K HN 0.285 8.480 8.250 0.090 0.108 0.446 170 S N -0.920 114.808 115.700 0.046 0.000 2.406 170 S HA -0.237 4.247 4.470 0.022 0.000 0.228 170 S C 1.045 175.626 174.600 -0.031 0.000 1.020 170 S CA 2.880 61.088 58.200 0.013 0.000 0.965 170 S CB -0.047 63.154 63.200 0.002 0.000 0.798 170 S HN -0.236 8.099 8.310 0.043 0.000 0.488 171 A N -0.062 122.711 122.820 -0.078 0.000 1.898 171 A HA -0.090 4.077 4.320 -0.256 0.000 0.216 171 A C -0.609 176.722 177.584 -0.421 0.000 1.181 171 A CA 1.949 53.804 52.037 -0.304 0.000 0.620 171 A CB 0.760 19.494 19.000 -0.444 0.000 0.819 171 A HN -0.775 7.341 8.150 -0.026 0.018 0.442 172 Y N -5.049 115.293 120.300 0.070 0.000 2.747 172 Y HA 0.493 5.119 4.550 0.127 0.000 0.362 172 Y C -2.530 173.431 175.900 0.102 0.000 1.026 172 Y CA -3.051 55.124 58.100 0.125 0.000 1.135 172 Y CB -0.186 38.406 38.460 0.221 0.000 1.175 172 Y HN -0.562 7.785 8.280 0.113 0.000 0.643 173 P HA -0.010 4.594 4.420 0.107 -0.120 0.268 173 P C 0.825 178.193 177.300 0.113 0.000 1.205 173 P CA 0.676 63.842 63.100 0.111 0.000 0.771 173 P CB 0.344 32.082 31.700 0.063 0.000 0.858 174 G N 3.038 111.893 108.800 0.092 0.000 2.187 174 G HA2 -0.374 3.621 3.960 0.059 0.000 0.261 174 G HA3 -0.374 3.616 3.960 0.050 0.000 0.261 174 G C 0.014 174.961 174.900 0.077 0.000 1.000 174 G CA 1.036 46.177 45.100 0.069 0.000 0.718 174 G HN 0.544 8.885 8.290 0.086 0.000 0.519 175 Q N -2.743 117.138 119.800 0.135 0.000 2.211 175 Q HA 0.090 4.461 4.340 0.051 0.000 0.242 175 Q C -0.554 175.570 176.000 0.206 0.000 0.825 175 Q CA -0.354 55.532 55.803 0.139 0.000 0.951 175 Q CB 1.741 30.597 28.738 0.197 0.000 1.130 175 Q HN -0.520 7.798 8.270 0.174 0.056 0.496 176 I N 0.252 120.938 120.570 0.194 0.000 2.331 176 I HA 0.053 4.351 4.170 0.213 0.000 0.292 176 I C -0.055 176.132 176.117 0.116 0.000 0.998 176 I CA -2.187 59.215 61.300 0.171 0.000 1.267 176 I CB -0.658 37.433 38.000 0.151 0.000 1.386 176 I HN -0.459 7.856 8.210 0.174 0.000 0.476 177 T N 2.341 116.961 114.554 0.110 0.000 2.922 177 T HA 0.379 4.767 4.350 0.064 0.000 0.281 177 T C 0.700 175.445 174.700 0.076 0.000 1.005 177 T CA -2.155 59.991 62.100 0.078 0.000 0.982 177 T CB 2.493 71.400 68.868 0.066 0.000 1.158 177 T HN -0.379 7.941 8.240 0.133 0.000 0.566 178 S N -1.889 113.842 115.700 0.053 0.000 2.547 178 S HA -0.224 4.279 4.470 0.056 0.000 0.235 178 S C 0.306 174.938 174.600 0.053 0.000 0.980 178 S CA 2.045 60.272 58.200 0.045 0.000 0.941 178 S CB -0.257 62.953 63.200 0.016 0.000 0.763 178 S HN 0.294 8.627 8.310 0.039 0.000 0.532 179 N N 0.236 118.979 118.700 0.072 0.000 2.251 179 N HA 0.169 4.955 4.740 0.076 0.000 0.217 179 N C -1.691 173.929 175.510 0.183 0.000 1.124 179 N CA -0.387 52.733 53.050 0.116 0.000 0.843 179 N CB 0.957 39.530 38.487 0.144 0.000 1.024 179 N HN -0.681 7.659 8.380 0.073 0.085 0.501 180 M N -1.074 118.619 119.600 0.156 0.000 2.550 180 M HA 0.721 5.450 4.480 0.078 -0.203 0.292 180 M C -2.275 174.122 176.300 0.163 0.000 1.221 180 M CA -0.266 55.097 55.300 0.106 0.000 0.873 180 M CB 4.966 37.596 32.600 0.050 0.000 1.727 180 M HN -0.753 7.533 8.290 0.137 0.086 0.459 181 F N -4.592 115.386 119.950 0.047 0.000 2.645 181 F HA 0.640 5.185 4.527 0.030 0.000 0.310 181 F C -2.524 173.318 175.800 0.069 0.000 1.102 181 F CA -2.257 55.772 58.000 0.047 0.000 0.952 181 F CB 2.394 41.423 39.000 0.048 0.000 1.326 181 F HN 0.136 8.269 8.300 -0.279 0.000 0.456 182 c N -0.160 118.571 118.600 0.217 0.000 2.391 182 c HA 1.002 5.787 4.570 0.031 -0.197 0.339 182 c C -1.027 173.239 174.090 0.293 0.000 1.205 182 c CA -1.085 55.330 56.329 0.143 0.000 1.937 182 c CB 2.796 45.364 42.510 0.097 0.000 2.341 182 c HN 0.858 9.265 8.230 0.297 0.000 0.516 183 A N 2.680 125.662 122.820 0.270 0.000 2.499 183 A HA 0.631 5.132 4.320 0.086 -0.129 0.280 183 A C -2.274 175.357 177.584 0.079 0.000 1.135 183 A CA -0.534 51.580 52.037 0.129 0.000 0.744 183 A CB 2.582 21.561 19.000 -0.035 0.000 1.213 183 A HN 0.283 8.637 8.150 0.340 0.000 0.434 184 Y N 2.902 123.235 120.300 0.055 0.000 2.404 184 Y HA 0.090 4.661 4.550 0.035 0.000 0.344 184 Y C 1.097 177.015 175.900 0.031 0.000 0.995 184 Y CA -0.316 57.806 58.100 0.038 0.000 1.201 184 Y CB 0.307 38.787 38.460 0.033 0.000 1.151 184 Y HN 0.412 8.816 8.280 0.206 0.000 0.517 185 L N 4.314 125.601 121.223 0.108 0.000 2.265 185 L HA -0.352 4.019 4.340 0.052 0.000 0.215 185 L C 0.864 177.779 176.870 0.076 0.000 1.117 185 L CA 2.401 57.282 54.840 0.067 0.000 0.782 185 L CB -0.470 41.609 42.059 0.033 0.000 0.914 185 L HN 0.562 8.835 8.230 0.071 0.000 0.441 186 E N -2.980 117.286 120.200 0.110 0.000 2.482 186 E HA -0.072 4.308 4.350 0.050 0.000 0.196 186 E C 0.817 177.458 176.600 0.068 0.000 1.047 186 E CA -0.125 56.320 56.400 0.075 0.000 0.869 186 E CB -0.586 29.156 29.700 0.069 0.000 0.836 186 E HN 0.086 8.500 8.360 0.159 0.042 0.520 187 G N 0.833 109.694 108.800 0.101 0.000 3.439 187 G HA2 -0.394 3.703 3.960 0.098 0.000 0.684 187 G HA3 -0.394 3.644 3.960 0.051 -0.047 0.684 187 G C -0.776 174.152 174.900 0.047 0.000 1.005 187 G CA -0.174 44.972 45.100 0.078 0.000 0.837 187 G HN -0.406 7.797 8.290 0.151 0.177 0.470 188 K N 2.088 122.481 120.400 -0.012 0.000 7.008 188 K HA -0.598 3.960 4.320 0.001 -0.238 0.643 188 K C -1.216 175.471 176.600 0.145 0.000 2.544 188 K CA 0.965 57.262 56.287 0.016 0.000 1.902 188 K CB 0.158 32.578 32.500 -0.133 0.000 1.909 188 K HN 0.248 8.517 8.250 0.031 0.000 0.285 189 D N 0.150 120.620 120.400 0.117 0.000 2.808 189 D HA 0.250 5.007 4.640 0.195 0.000 0.294 189 D C -1.934 174.430 176.300 0.107 0.000 1.278 189 D CA -0.514 53.572 54.000 0.142 0.000 0.756 189 D CB 3.732 44.602 40.800 0.116 0.000 1.271 189 D HN 0.069 8.483 8.370 0.073 0.000 0.425 190 S N -1.467 114.312 115.700 0.132 0.000 2.713 190 S HA 0.328 4.909 4.470 0.080 -0.063 0.277 190 S C -1.444 173.197 174.600 0.068 0.000 1.168 190 S CA -0.368 57.898 58.200 0.109 0.000 0.994 190 S CB 1.765 65.074 63.200 0.182 0.000 1.054 190 S HN 0.227 8.639 8.310 0.169 0.000 0.555 191 c N -1.451 117.190 118.600 0.067 0.000 3.272 191 c HA 0.277 4.882 4.570 0.058 0.000 0.363 191 c C -1.291 172.863 174.090 0.107 0.000 1.514 191 c CA -0.732 55.635 56.329 0.063 0.000 1.185 191 c CB 2.786 45.311 42.510 0.024 0.000 1.716 191 c HN 0.280 8.810 8.230 0.083 -0.250 0.440 192 Q N 1.267 121.142 119.800 0.125 0.000 2.349 192 Q HA -0.151 4.314 4.340 0.208 0.000 0.287 192 Q C 0.867 177.034 176.000 0.278 0.000 1.044 192 Q CA 1.132 57.056 55.803 0.202 0.000 0.918 192 Q CB -0.211 28.655 28.738 0.214 0.000 1.242 192 Q HN 0.541 8.870 8.270 0.098 0.000 0.405 193 G N 3.656 112.651 108.800 0.325 0.000 2.254 193 G HA2 -0.428 3.768 3.960 0.393 0.000 0.225 193 G HA3 -0.428 3.875 3.960 0.572 0.000 0.225 193 G C 0.382 175.522 174.900 0.399 0.000 1.003 193 G CA 1.067 46.427 45.100 0.433 0.000 0.622 193 G HN 0.789 9.254 8.290 0.291 0.000 0.507 194 D N 1.078 121.642 120.400 0.273 0.000 2.346 194 D HA 0.100 4.886 4.640 0.243 0.000 0.206 194 D C 0.303 176.714 176.300 0.185 0.000 1.001 194 D CA 0.721 54.849 54.000 0.214 0.000 0.871 194 D CB 0.554 41.442 40.800 0.147 0.000 0.943 194 D HN -0.098 8.304 8.370 0.239 0.111 0.518 195 S N -0.587 115.227 115.700 0.190 0.000 2.599 195 S HA -0.562 4.176 4.470 0.193 -0.152 0.303 195 S C 1.004 175.631 174.600 0.045 0.000 1.267 195 S CA 2.976 61.270 58.200 0.156 0.000 1.055 195 S CB 0.075 63.395 63.200 0.201 0.000 0.790 195 S HN -0.383 8.027 8.310 0.222 0.033 0.500 196 G N 4.544 113.362 108.800 0.029 0.000 2.253 196 G HA2 -0.463 3.567 3.960 -0.003 0.000 0.251 196 G HA3 -0.463 3.599 3.960 -0.040 -0.126 0.251 196 G C 0.007 174.952 174.900 0.074 0.000 0.998 196 G CA 0.112 45.217 45.100 0.008 0.000 0.621 196 G HN 0.820 9.046 8.290 0.075 0.108 0.524 197 G N 1.334 110.200 108.800 0.110 0.000 2.667 197 G HA2 0.186 4.227 3.960 0.135 0.000 0.250 197 G HA3 0.186 4.224 3.960 0.130 0.000 0.250 197 G C -2.518 172.469 174.900 0.144 0.000 1.212 197 G CA -1.693 43.486 45.100 0.132 0.000 0.874 197 G HN -0.394 7.859 8.290 0.116 0.107 0.561 198 P HA 0.324 4.958 4.420 0.129 -0.136 0.281 198 P C -1.517 175.846 177.300 0.105 0.000 1.249 198 P CA -0.873 62.316 63.100 0.148 0.000 0.810 198 P CB 1.599 33.438 31.700 0.231 0.000 1.008 199 V N 2.188 122.140 119.914 0.063 0.000 2.419 199 V HA 0.345 4.639 4.120 -0.025 -0.189 0.287 199 V C -1.232 174.865 176.094 0.005 0.000 1.017 199 V CA -0.466 61.830 62.300 -0.007 0.000 0.844 199 V CB 1.704 33.485 31.823 -0.070 0.000 1.011 199 V HN -0.289 7.945 8.190 0.074 0.000 0.429 200 V N 8.110 128.020 119.914 -0.007 0.000 2.459 200 V HA 0.644 4.907 4.120 -0.076 -0.188 0.295 200 V C -1.322 174.751 176.094 -0.036 0.000 1.029 200 V CA -1.243 61.026 62.300 -0.052 0.000 0.874 200 V CB 2.761 34.532 31.823 -0.087 0.000 0.985 200 V HN 0.691 8.892 8.190 0.018 0.000 0.438 201 c N 6.434 125.001 118.600 -0.056 0.000 2.431 201 c HA 0.583 5.129 4.570 -0.039 0.000 0.321 201 c C 0.562 174.620 174.090 -0.054 0.000 1.202 201 c CA -1.553 54.743 56.329 -0.056 0.000 1.398 201 c CB 1.965 44.422 42.510 -0.089 0.000 2.047 201 c HN 0.582 8.771 8.230 -0.068 0.000 0.465 202 S N 4.918 120.595 115.700 -0.038 0.000 3.581 202 S HA -0.359 4.098 4.470 -0.022 0.000 0.354 202 S C 0.056 174.635 174.600 -0.034 0.000 1.059 202 S CA 1.097 59.278 58.200 -0.032 0.000 1.060 202 S CB -0.954 62.222 63.200 -0.039 0.000 0.908 202 S HN 1.169 9.461 8.310 -0.029 0.000 0.475 203 G N -4.770 104.008 108.800 -0.036 0.000 2.184 203 G HA2 -0.360 3.574 3.960 -0.043 0.000 0.264 203 G HA3 -0.360 3.581 3.960 -0.032 0.000 0.264 203 G C -1.021 173.832 174.900 -0.079 0.000 0.975 203 G CA 0.279 45.351 45.100 -0.047 0.000 0.642 203 G HN 0.276 8.537 8.290 -0.030 0.012 0.536 210 Q N 1.269 121.084 119.800 0.024 0.000 2.378 210 Q HA 0.223 4.594 4.340 0.052 0.000 0.229 210 Q C -0.338 175.811 176.000 0.249 0.000 0.882 210 Q CA 0.045 55.884 55.803 0.060 0.000 0.936 210 Q CB 2.922 31.614 28.738 -0.077 0.000 1.092 210 Q HN 0.376 8.652 8.270 0.010 0.000 0.535 211 G N -2.986 105.976 108.800 0.271 0.000 2.695 211 G HA2 0.601 5.033 3.960 0.407 0.000 0.290 211 G HA3 0.601 4.835 3.960 0.456 0.000 0.290 211 G C -3.297 171.729 174.900 0.210 0.000 1.410 211 G CA -0.497 44.816 45.100 0.354 0.000 0.844 211 G HN -0.407 7.981 8.290 0.162 0.000 0.478 212 I N -1.530 119.165 120.570 0.208 0.000 2.498 212 I HA 0.568 5.054 4.170 0.173 -0.212 0.290 212 I C -0.440 175.814 176.117 0.228 0.000 1.032 212 I CA -1.476 59.931 61.300 0.179 0.000 1.073 212 I CB 4.322 42.388 38.000 0.110 0.000 1.251 212 I HN -0.433 7.973 8.210 0.195 -0.079 0.426 213 V N 7.077 127.136 119.914 0.242 0.000 2.458 213 V HA -0.211 3.945 4.120 0.060 0.000 0.287 213 V C -1.076 175.062 176.094 0.073 0.000 1.009 213 V CA 1.995 64.385 62.300 0.151 0.000 1.091 213 V CB -1.220 30.717 31.823 0.189 0.000 0.960 213 V HN 0.324 8.642 8.190 0.212 0.000 0.476 214 S N 8.012 123.653 115.700 -0.099 0.000 2.942 214 S HA 0.349 5.021 4.470 0.338 0.000 0.220 214 S C -0.649 174.024 174.600 0.121 0.000 0.945 214 S CA 0.947 59.209 58.200 0.103 0.000 0.851 214 S CB 2.086 65.315 63.200 0.050 0.000 0.820 214 S HN -0.069 7.978 8.310 -0.439 0.000 0.624 215 W N -4.347 116.784 121.300 -0.282 0.000 2.923 215 W HA 0.263 4.798 4.660 -0.207 0.000 0.373 215 W C -3.109 173.233 176.519 -0.295 0.000 1.205 215 W CA -0.646 56.539 57.345 -0.266 0.000 1.180 215 W CB 0.665 29.963 29.460 -0.269 0.000 1.477 215 W HN -0.106 7.732 8.180 -0.570 0.000 0.581 216 G N -3.086 105.812 108.800 0.163 0.000 2.451 216 G HA2 0.194 3.984 3.960 -0.283 0.000 0.292 216 G HA3 0.194 4.127 3.960 -0.045 0.000 0.292 216 G C -2.301 172.770 174.900 0.286 0.000 1.427 216 G CA 0.186 45.302 45.100 0.026 0.000 0.792 216 G HN -0.029 8.494 8.290 0.388 0.000 0.498 220 c N 1.651 120.288 118.600 0.061 0.000 3.401 220 c HA 0.290 5.025 4.570 0.061 -0.128 0.204 220 c C -1.266 172.854 174.090 0.049 0.000 1.522 220 c CA -1.281 55.080 56.329 0.053 0.000 1.409 220 c CB -1.547 40.985 42.510 0.037 0.000 1.967 220 c HN 0.309 8.571 8.230 0.053 0.000 0.496 221 Q N -2.090 117.742 119.800 0.054 0.000 2.939 221 Q HA 0.109 4.469 4.340 0.033 0.000 0.274 221 Q C -1.572 174.451 176.000 0.037 0.000 0.941 221 Q CA -0.707 55.120 55.803 0.040 0.000 0.824 221 Q CB 2.208 30.970 28.738 0.040 0.000 1.779 221 Q HN -0.086 8.222 8.270 0.063 0.000 0.470 222 K N 3.615 124.029 120.400 0.024 0.000 2.350 222 K HA -0.238 4.206 4.320 0.035 -0.103 0.279 222 K C -0.127 176.471 176.600 -0.004 0.000 1.027 222 K CA 0.715 57.014 56.287 0.019 0.000 0.969 222 K CB 0.219 32.727 32.500 0.014 0.000 0.954 222 K HN 0.242 8.505 8.250 0.020 0.000 0.474 223 N N 2.730 121.425 118.700 -0.008 0.000 2.753 223 N HA -0.455 4.263 4.740 -0.037 0.000 0.251 223 N C -1.614 173.825 175.510 -0.117 0.000 1.097 223 N CA 1.962 54.981 53.050 -0.051 0.000 0.786 223 N CB -0.689 37.760 38.487 -0.063 0.000 1.137 223 N HN 0.806 9.074 8.380 0.015 0.121 0.566 224 K N -1.143 119.220 120.400 -0.062 0.000 2.762 224 K HA 0.539 4.691 4.320 -0.279 0.000 0.180 224 K C -2.388 174.261 176.600 0.082 0.000 1.067 224 K CA -3.746 52.504 56.287 -0.061 0.000 0.973 224 K CB 0.319 32.825 32.500 0.010 0.000 1.290 224 K HN -0.780 7.400 8.250 -0.008 0.066 0.604 225 P HA -0.084 4.401 4.420 0.109 0.000 0.274 225 P C -0.844 176.496 177.300 0.068 0.000 1.260 225 P CA -0.347 62.820 63.100 0.111 0.000 0.793 225 P CB 1.163 32.918 31.700 0.092 0.000 1.048 226 G N -2.995 105.816 108.800 0.018 0.000 2.507 226 G HA2 0.291 4.054 3.960 -0.328 0.000 0.271 226 G HA3 0.291 4.079 3.960 -0.286 0.000 0.271 226 G C -1.571 172.965 174.900 -0.607 0.000 1.189 226 G CA -0.723 44.200 45.100 -0.294 0.000 0.859 226 G HN -0.483 7.883 8.290 0.126 0.000 0.542 227 V N 1.103 120.337 119.914 -1.132 0.000 2.495 227 V HA 0.524 4.333 4.120 -0.773 -0.153 0.298 227 V C -1.085 174.213 176.094 -1.327 0.000 1.031 227 V CA -0.925 60.655 62.300 -1.200 0.000 0.871 227 V CB 2.160 32.797 31.823 -1.978 0.000 0.988 227 V HN 0.566 8.076 8.190 -1.133 0.000 0.432 228 Y N 5.344 125.216 120.300 -0.713 0.000 2.485 228 Y HA 0.626 5.100 4.550 -0.385 -0.155 0.345 228 Y C 0.392 176.005 175.900 -0.478 0.000 0.998 228 Y CA -2.335 55.375 58.100 -0.651 0.000 1.059 228 Y CB 3.523 41.353 38.460 -1.051 0.000 1.234 228 Y HN 1.045 8.909 8.280 -0.692 0.000 0.461 229 T N 5.121 119.649 114.554 -0.043 0.000 2.888 229 T HA -0.075 4.475 4.350 0.114 -0.132 0.301 229 T C -0.652 174.200 174.700 0.254 0.000 1.001 229 T CA 1.931 64.092 62.100 0.103 0.000 1.147 229 T CB 0.419 69.338 68.868 0.085 0.000 0.931 229 T HN 0.401 8.644 8.240 0.006 0.000 0.541 230 K N 8.073 128.704 120.400 0.384 0.000 2.183 230 K HA 0.121 4.883 4.320 0.736 0.000 0.272 230 K C 1.027 177.883 176.600 0.427 0.000 1.113 230 K CA -0.661 55.925 56.287 0.498 0.000 0.949 230 K CB -0.264 32.477 32.500 0.401 0.000 1.365 230 K HN 0.065 8.423 8.250 0.348 0.100 0.420 231 V N 6.241 126.391 119.914 0.393 0.000 2.392 231 V HA -0.545 3.894 4.120 0.531 0.000 0.249 231 V C 1.345 177.604 176.094 0.275 0.000 1.059 231 V CA 3.921 66.441 62.300 0.368 0.000 1.051 231 V CB -0.338 31.625 31.823 0.233 0.000 0.658 231 V HN 0.268 8.702 8.190 0.406 0.000 0.455 232 c N -3.954 114.737 118.600 0.152 0.000 2.401 232 c HA -0.222 4.389 4.570 0.068 0.000 0.286 232 c C 1.457 175.562 174.090 0.025 0.000 1.332 232 c CA 1.498 57.867 56.329 0.066 0.000 1.795 232 c CB -2.115 40.400 42.510 0.009 0.000 1.922 232 c HN 0.452 8.752 8.230 0.145 0.018 0.520 233 N N 0.457 119.133 118.700 -0.040 0.000 2.467 233 N HA -0.039 4.602 4.740 -0.166 0.000 0.184 233 N C 0.252 175.530 175.510 -0.388 0.000 1.106 233 N CA 0.997 53.883 53.050 -0.274 0.000 0.892 233 N CB 0.028 38.216 38.487 -0.499 0.000 0.969 233 N HN -0.431 7.921 8.380 0.036 0.049 0.454 234 Y N -4.241 116.137 120.300 0.130 0.000 2.557 234 Y HA 0.173 4.883 4.550 0.266 0.000 0.247 234 Y C 0.332 176.376 175.900 0.241 0.000 1.164 234 Y CA -0.444 57.799 58.100 0.240 0.000 1.218 234 Y CB 0.072 38.713 38.460 0.302 0.000 1.210 234 Y HN -0.110 8.103 8.280 0.196 0.185 0.529 235 V N 1.362 121.421 119.914 0.242 0.000 2.332 235 V HA -0.595 3.605 4.120 0.134 0.000 0.248 235 V C 1.357 177.514 176.094 0.106 0.000 1.055 235 V CA 5.101 67.485 62.300 0.140 0.000 1.038 235 V CB -0.859 31.008 31.823 0.075 0.000 0.651 235 V HN -0.378 7.920 8.190 0.180 0.000 0.450 236 S N -0.303 115.468 115.700 0.117 0.000 2.368 236 S HA -0.323 4.166 4.470 0.032 0.000 0.224 236 S C 1.743 176.409 174.600 0.111 0.000 1.029 236 S CA 3.135 61.385 58.200 0.083 0.000 0.988 236 S CB -0.442 62.807 63.200 0.081 0.000 0.838 236 S HN 0.043 8.425 8.310 0.120 0.000 0.462 237 W N 3.748 125.088 121.300 0.067 0.000 2.358 237 W HA -0.253 4.427 4.660 0.034 0.000 0.303 237 W C 1.179 177.708 176.519 0.016 0.000 1.208 237 W CA 3.298 60.687 57.345 0.073 0.000 1.274 237 W CB -0.107 29.478 29.460 0.207 0.000 1.138 237 W HN -0.416 7.995 8.180 0.386 0.000 0.515 238 I N -0.648 119.825 120.570 -0.163 0.000 2.142 238 I HA -0.752 2.842 4.170 -0.961 0.000 0.240 238 I C 1.839 177.682 176.117 -0.456 0.000 1.078 238 I CA 4.545 65.556 61.300 -0.480 0.000 1.343 238 I CB -0.232 37.678 38.000 -0.151 0.000 1.046 238 I HN 0.497 8.829 8.210 0.203 0.000 0.405 239 K N -1.478 118.774 120.400 -0.247 0.000 2.063 239 K HA -0.495 3.672 4.320 -0.255 0.000 0.208 239 K C 2.602 179.049 176.600 -0.254 0.000 1.048 239 K CA 3.874 60.027 56.287 -0.223 0.000 0.928 239 K CB -0.426 32.006 32.500 -0.113 0.000 0.713 239 K HN 0.018 8.187 8.250 -0.136 0.000 0.442 240 Q N -1.365 118.299 119.800 -0.228 0.000 2.079 240 Q HA -0.294 3.959 4.340 -0.144 0.000 0.200 240 Q C 2.243 178.070 176.000 -0.287 0.000 0.974 240 Q CA 3.668 59.355 55.803 -0.192 0.000 0.840 240 Q CB -0.097 28.580 28.738 -0.102 0.000 0.898 240 Q HN 0.180 8.334 8.270 -0.193 0.000 0.430 241 T N 2.422 116.686 114.554 -0.483 0.000 2.737 241 T HA -0.307 3.829 4.350 -0.357 0.000 0.265 241 T C 2.485 176.830 174.700 -0.592 0.000 1.038 241 T CA 5.271 67.038 62.100 -0.555 0.000 1.144 241 T CB -0.258 68.041 68.868 -0.948 0.000 0.866 241 T HN -0.021 7.869 8.240 -0.584 0.000 0.434 242 I N -2.050 118.034 120.570 -0.809 0.000 2.394 242 I HA -0.197 3.079 4.170 -1.490 0.000 0.251 242 I C 1.286 177.163 176.117 -0.400 0.000 1.136 242 I CA 3.083 63.759 61.300 -1.040 0.000 1.425 242 I CB -0.637 36.570 38.000 -1.322 0.000 1.079 242 I HN 0.230 7.972 8.210 -0.779 0.000 0.425 243 A N -0.642 122.012 122.820 -0.277 0.000 2.167 243 A HA -0.076 4.202 4.320 -0.069 0.000 0.214 243 A C 0.469 178.015 177.584 -0.062 0.000 1.151 243 A CA 1.556 53.523 52.037 -0.117 0.000 0.735 243 A CB -0.214 18.725 19.000 -0.101 0.000 0.802 243 A HN -0.227 7.713 8.150 -0.324 0.015 0.467 244 S N -3.145 112.505 115.700 -0.084 0.000 2.568 244 S HA 0.164 4.630 4.470 -0.007 0.000 0.232 244 S C -0.973 173.645 174.600 0.031 0.000 0.975 244 S CA 0.338 58.523 58.200 -0.025 0.000 0.949 244 S CB 0.757 63.933 63.200 -0.040 0.000 0.829 244 S HN -0.508 7.546 8.310 -0.161 0.160 0.479 245 N N 0.000 118.756 118.700 0.093 0.000 1.763 245 N HA 0.000 4.831 4.740 0.151 0.000 0.220 245 N CA 0.000 53.187 53.050 0.228 0.000 0.885 245 N CB 0.000 38.690 38.487 0.338 0.000 1.341 245 N HN 0.000 8.362 8.380 0.068 0.059 0.667