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 1c5v_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 4.173 4.170 0.005 0.000 0.288 16 I C 0.000 176.095 176.117 -0.037 0.000 1.063 16 I CA 0.000 61.283 61.300 -0.029 0.000 1.566 16 I CB 0.000 37.958 38.000 -0.071 0.000 1.214 17 V N 4.606 124.513 119.914 -0.012 0.000 2.513 17 V HA 0.269 4.494 4.120 -0.029 -0.123 0.299 17 V C 0.592 176.682 176.094 -0.006 0.000 1.035 17 V CA -1.817 60.475 62.300 -0.015 0.000 0.889 17 V CB 1.349 33.169 31.823 -0.004 0.000 0.988 17 V HN 0.696 8.893 8.190 0.011 0.000 0.440 18 G N 6.337 115.129 108.800 -0.014 0.000 2.179 18 G HA2 -0.400 3.552 3.960 -0.013 0.000 0.257 18 G HA3 -0.400 3.693 3.960 -0.030 -0.151 0.257 18 G C -0.628 174.277 174.900 0.009 0.000 1.010 18 G CA 0.630 45.722 45.100 -0.014 0.000 0.736 18 G HN 0.793 9.072 8.290 -0.017 0.000 0.513 19 G N -1.345 107.459 108.800 0.007 0.000 2.702 19 G HA2 0.550 4.579 3.960 0.115 0.000 0.254 19 G HA3 0.550 4.574 3.960 -0.077 -0.110 0.254 19 G C -1.816 173.131 174.900 0.077 0.000 1.380 19 G CA -1.140 43.975 45.100 0.024 0.000 1.042 19 G HN -0.703 7.545 8.290 -0.016 0.032 0.557 20 Y N -6.151 114.126 120.300 -0.038 0.000 2.634 20 Y HA 0.430 4.959 4.550 -0.034 0.000 0.340 20 Y C -1.765 174.105 175.900 -0.049 0.000 1.058 20 Y CA -2.880 55.198 58.100 -0.038 0.000 1.081 20 Y CB 1.364 39.805 38.460 -0.031 0.000 1.295 20 Y HN 0.515 8.366 8.280 -0.539 0.106 0.487 21 T N 2.871 117.479 114.554 0.090 0.000 2.799 21 T HA -0.022 4.400 4.350 -0.114 -0.140 0.296 21 T C 0.326 175.046 174.700 0.033 0.000 0.947 21 T CA 1.754 63.848 62.100 -0.009 0.000 1.141 21 T CB -0.284 68.608 68.868 0.041 0.000 0.891 21 T HN 0.199 8.551 8.240 0.188 0.000 0.533 22 c N 6.100 124.609 118.600 -0.151 0.000 2.413 22 c HA -0.185 4.368 4.570 -0.028 0.000 0.276 22 c C -0.196 173.914 174.090 0.033 0.000 1.236 22 c CA 1.399 57.676 56.329 -0.086 0.000 1.735 22 c CB -0.501 41.887 42.510 -0.203 0.000 2.031 22 c HN 0.538 8.623 8.230 -0.241 0.000 0.474 23 G N -3.630 105.167 108.800 -0.006 0.000 2.592 23 G HA2 -0.197 3.776 3.960 0.021 0.000 0.685 23 G HA3 -0.197 3.780 3.960 0.028 0.000 0.685 23 G C -2.054 172.841 174.900 -0.008 0.000 1.278 23 G CA -0.900 44.208 45.100 0.013 0.000 0.822 23 G HN -0.650 7.612 8.290 -0.047 0.000 0.652 24 A N 3.130 125.954 122.820 0.007 0.000 2.546 24 A HA -0.217 4.361 4.320 0.018 -0.247 0.243 24 A C -0.195 177.388 177.584 -0.001 0.000 1.063 24 A CA 1.027 53.072 52.037 0.012 0.000 0.757 24 A CB 0.071 19.085 19.000 0.025 0.000 0.991 24 A HN 0.302 8.461 8.150 0.015 0.000 0.503 25 N N -2.418 116.279 118.700 -0.005 0.000 2.710 25 N HA -0.413 4.309 4.740 -0.031 0.000 0.249 25 N C 0.119 175.601 175.510 -0.046 0.000 1.059 25 N CA 1.571 54.607 53.050 -0.023 0.000 0.720 25 N CB -1.087 37.400 38.487 -0.001 0.000 0.983 25 N HN 0.488 8.873 8.380 0.009 0.000 0.544 26 T N -1.343 113.174 114.554 -0.062 0.000 3.081 26 T HA -0.009 4.325 4.350 -0.026 0.000 0.250 26 T C -0.983 173.651 174.700 -0.110 0.000 1.100 26 T CA 0.913 62.983 62.100 -0.050 0.000 1.038 26 T CB 0.437 69.294 68.868 -0.019 0.000 0.962 26 T HN -0.712 7.464 8.240 -0.068 0.023 0.516 27 V N 1.590 121.374 119.914 -0.218 0.000 2.320 27 V HA 0.356 4.185 4.120 -0.484 0.000 0.257 27 V C -1.525 174.222 176.094 -0.579 0.000 0.996 27 V CA -3.818 58.186 62.300 -0.493 0.000 0.928 27 V CB 0.663 32.187 31.823 -0.499 0.000 1.169 27 V HN -0.361 7.650 8.190 -0.186 0.068 0.475 28 P HA 0.034 4.471 4.420 -0.111 -0.084 0.226 28 P C 0.207 177.444 177.300 -0.105 0.000 1.153 28 P CA 1.653 64.664 63.100 -0.148 0.000 0.777 28 P CB 0.117 31.805 31.700 -0.020 0.000 0.794 29 Y N -5.503 114.822 120.300 0.041 0.000 2.490 29 Y HA 0.478 5.229 4.550 0.055 -0.168 0.281 29 Y C -0.584 175.354 175.900 0.063 0.000 1.174 29 Y CA -3.454 54.676 58.100 0.050 0.000 1.295 29 Y CB -1.555 36.930 38.460 0.042 0.000 1.062 29 Y HN -0.418 7.320 8.280 -0.814 0.054 0.522 30 Q N 2.080 121.765 119.800 -0.192 0.000 2.304 30 Q HA 0.235 4.773 4.340 0.111 -0.131 0.260 30 Q C -0.874 175.211 176.000 0.142 0.000 0.965 30 Q CA -0.051 55.742 55.803 -0.016 0.000 0.898 30 Q CB 0.801 29.421 28.738 -0.197 0.000 1.196 30 Q HN -0.590 7.226 8.270 -0.463 0.177 0.402 31 V N 6.562 126.599 119.914 0.204 0.000 2.815 31 V HA 0.537 4.910 4.120 0.184 -0.143 0.314 31 V C -1.665 174.585 176.094 0.260 0.000 1.064 31 V CA -1.785 60.633 62.300 0.195 0.000 0.952 31 V CB 4.503 36.400 31.823 0.123 0.000 1.020 31 V HN 0.209 8.518 8.190 0.198 0.000 0.439 32 S N 2.797 118.565 115.700 0.113 0.000 2.502 32 S HA 0.491 5.202 4.470 0.211 -0.114 0.304 32 S C -1.444 173.079 174.600 -0.128 0.000 1.097 32 S CA -1.750 56.462 58.200 0.019 0.000 1.045 32 S CB 1.699 64.699 63.200 -0.333 0.000 1.019 32 S HN 0.217 8.563 8.310 0.059 0.000 0.481 33 L N 6.947 127.976 121.223 -0.323 0.000 2.275 33 L HA 0.560 4.870 4.340 -0.262 -0.127 0.288 33 L C -1.532 175.030 176.870 -0.513 0.000 1.046 33 L CA -0.859 53.694 54.840 -0.479 0.000 0.805 33 L CB 1.095 42.632 42.059 -0.871 0.000 1.193 33 L HN 1.009 8.899 8.230 -0.399 0.100 0.426 38 G N 0.770 109.350 108.800 -0.367 0.000 2.218 38 G HA2 -0.323 3.580 3.960 -0.095 0.000 0.216 38 G HA3 -0.323 3.629 3.960 -0.013 0.000 0.216 38 G C -1.864 173.044 174.900 0.012 0.000 0.994 38 G CA 0.245 45.265 45.100 -0.133 0.000 0.637 38 G HN 0.376 8.760 8.290 -0.312 -0.281 0.505 39 Y N -6.720 113.558 120.300 -0.035 0.000 2.702 39 Y HA 0.229 4.746 4.550 -0.055 0.000 0.336 39 Y C -2.437 173.483 175.900 0.033 0.000 1.203 39 Y CA -3.338 54.748 58.100 -0.024 0.000 1.072 39 Y CB 0.722 39.167 38.460 -0.025 0.000 1.327 39 Y HN -1.179 6.663 8.280 -0.738 -0.005 0.456 40 H N 2.237 121.310 119.070 0.006 0.000 2.722 40 H HA 0.108 4.721 4.556 -0.217 -0.187 0.328 40 H C -0.350 175.057 175.328 0.132 0.000 1.067 40 H CA -0.362 55.632 56.048 -0.090 0.000 1.447 40 H CB 0.538 30.188 29.762 -0.186 0.000 1.469 40 H HN 0.265 8.674 8.280 0.214 0.000 0.544 41 F N 2.789 122.388 119.950 -0.585 0.000 2.880 41 F HA 0.335 4.803 4.527 -0.098 0.000 0.346 41 F C -1.581 173.977 175.800 -0.403 0.000 1.054 41 F CA -0.749 57.072 58.000 -0.299 0.000 1.151 41 F CB 1.663 40.601 39.000 -0.103 0.000 1.066 41 F HN -0.022 7.699 8.300 -0.966 0.000 0.566 42 c N -1.178 116.640 118.600 -1.304 0.000 3.312 42 c HA 0.338 4.793 4.570 -0.299 -0.064 0.332 42 c C -1.783 172.056 174.090 -0.418 0.000 1.340 42 c CA -0.169 55.757 56.329 -0.673 0.000 1.265 42 c CB 4.094 46.246 42.510 -0.597 0.000 1.563 42 c HN -0.802 6.428 8.230 -1.667 0.000 0.471 43 G N -0.757 108.019 108.800 -0.041 0.000 2.552 43 G HA2 0.800 5.095 3.960 0.251 0.000 0.324 43 G HA3 0.800 4.908 3.960 0.246 0.000 0.324 43 G C -2.470 172.457 174.900 0.045 0.000 1.217 43 G CA -1.583 43.611 45.100 0.156 0.000 0.989 43 G HN 0.731 9.003 8.290 -0.029 0.000 0.490 44 G N -3.602 105.260 108.800 0.104 0.000 2.550 44 G HA2 0.567 4.835 3.960 0.076 0.000 0.293 44 G HA3 0.567 4.563 3.960 0.059 0.000 0.293 44 G C -2.936 172.052 174.900 0.147 0.000 1.402 44 G CA 0.296 45.449 45.100 0.089 0.000 0.784 44 G HN -0.568 7.822 8.290 0.167 0.000 0.482 45 S N -0.838 114.952 115.700 0.149 0.000 2.521 45 S HA 0.904 5.750 4.470 0.269 -0.216 0.295 45 S C -1.439 173.262 174.600 0.169 0.000 1.098 45 S CA -0.963 57.357 58.200 0.199 0.000 0.999 45 S CB 3.992 67.291 63.200 0.165 0.000 1.034 45 S HN 0.328 8.712 8.310 0.123 0.000 0.483 46 L N 5.465 126.803 121.223 0.191 0.000 2.281 46 L HA 0.247 4.790 4.340 0.145 -0.116 0.285 46 L C -0.624 176.330 176.870 0.139 0.000 1.074 46 L CA -0.346 54.588 54.840 0.156 0.000 0.817 46 L CB 1.249 43.399 42.059 0.151 0.000 1.168 46 L HN 0.264 8.645 8.230 0.253 0.000 0.434 47 I N -0.101 120.549 120.570 0.134 0.000 3.941 47 I HA 0.395 4.606 4.170 0.069 0.000 0.321 47 I C -0.881 175.294 176.117 0.096 0.000 1.284 47 I CA -0.395 60.962 61.300 0.096 0.000 1.226 47 I CB 0.621 38.667 38.000 0.076 0.000 1.045 47 I HN 0.566 8.874 8.210 0.163 0.000 0.420 48 N N -2.137 116.640 118.700 0.129 0.000 3.355 48 N HA 0.034 4.829 4.740 0.091 0.000 0.238 48 N C -0.653 174.930 175.510 0.123 0.000 1.466 48 N CA -0.301 52.820 53.050 0.119 0.000 0.882 48 N CB 0.928 39.492 38.487 0.127 0.000 1.406 48 N HN -0.880 7.591 8.380 0.152 0.000 0.500 49 S N -1.457 114.299 115.700 0.093 0.000 2.420 49 S HA -0.384 4.117 4.470 0.053 0.000 0.237 49 S C 1.019 175.637 174.600 0.031 0.000 1.023 49 S CA 2.750 60.986 58.200 0.059 0.000 0.991 49 S CB 0.021 63.246 63.200 0.043 0.000 0.792 49 S HN 0.481 8.843 8.310 0.085 0.000 0.488 50 Q N -2.377 117.452 119.800 0.048 0.000 2.281 50 Q HA 0.217 4.461 4.340 -0.160 0.000 0.215 50 Q C -0.918 174.888 176.000 -0.323 0.000 0.867 50 Q CA 0.343 56.067 55.803 -0.133 0.000 0.940 50 Q CB 1.172 29.825 28.738 -0.141 0.000 1.111 50 Q HN 0.024 8.333 8.270 0.134 0.041 0.513 51 W N -2.579 118.724 121.300 0.006 0.000 2.936 51 W HA 0.590 5.430 4.660 0.004 -0.178 0.338 51 W C -1.591 174.938 176.519 0.017 0.000 1.121 51 W CA -0.892 56.455 57.345 0.003 0.000 1.209 51 W CB 3.753 33.202 29.460 -0.018 0.000 1.420 51 W HN -0.519 7.809 8.180 0.246 0.000 0.516 52 V N 1.183 121.265 119.914 0.281 0.000 2.735 52 V HA 0.838 5.248 4.120 0.172 -0.187 0.310 52 V C -1.581 174.630 176.094 0.194 0.000 1.061 52 V CA -1.728 60.683 62.300 0.185 0.000 0.913 52 V CB 3.949 35.837 31.823 0.108 0.000 1.005 52 V HN 0.905 9.287 8.190 0.320 0.000 0.428 53 V N 2.050 122.053 119.914 0.149 0.000 2.581 53 V HA 1.070 5.471 4.120 0.153 -0.190 0.303 53 V C -1.600 174.552 176.094 0.096 0.000 1.041 53 V CA -2.918 59.461 62.300 0.131 0.000 0.907 53 V CB 2.319 34.211 31.823 0.115 0.000 0.994 53 V HN 0.375 8.648 8.190 0.137 0.000 0.442 54 S N 3.943 119.686 115.700 0.072 0.000 2.973 54 S HA 0.564 5.240 4.470 0.029 -0.188 0.317 54 S C -1.824 172.763 174.600 -0.023 0.000 1.196 54 S CA -2.268 55.944 58.200 0.019 0.000 0.894 54 S CB 2.328 65.523 63.200 -0.008 0.000 1.292 54 S HN 0.418 8.781 8.310 0.088 0.000 0.614 55 A N -0.639 122.120 122.820 -0.102 0.000 2.303 55 A HA 0.455 4.849 4.320 -0.115 -0.143 0.317 55 A C 0.392 177.841 177.584 -0.225 0.000 1.149 55 A CA -1.618 50.314 52.037 -0.175 0.000 0.822 55 A CB 1.431 20.251 19.000 -0.300 0.000 1.131 55 A HN 0.357 8.431 8.150 -0.127 0.000 0.493 56 A N 4.205 126.837 122.820 -0.315 0.000 2.015 56 A HA -0.211 3.972 4.320 -0.228 0.000 0.219 56 A C 1.356 178.722 177.584 -0.364 0.000 1.163 56 A CA 2.682 54.438 52.037 -0.468 0.000 0.646 56 A CB -0.273 18.072 19.000 -1.091 0.000 0.806 56 A HN 0.577 8.588 8.150 -0.311 -0.048 0.448 57 H N -4.947 113.971 119.070 -0.253 0.000 2.561 57 H HA -0.119 4.489 4.556 0.086 0.000 0.278 57 H C -0.226 175.167 175.328 0.109 0.000 1.014 57 H CA 1.481 57.543 56.048 0.025 0.000 1.211 57 H CB -1.200 28.635 29.762 0.122 0.000 1.365 57 H HN -0.092 8.328 8.280 -0.224 -0.275 0.594 58 c N -2.157 116.375 118.600 -0.115 0.000 2.697 58 c HA 0.048 4.742 4.570 0.208 0.000 0.267 58 c C 0.257 174.461 174.090 0.190 0.000 1.278 58 c CA -0.584 55.794 56.329 0.082 0.000 1.708 58 c CB -1.878 40.605 42.510 -0.045 0.000 1.860 58 c HN -0.459 7.442 8.230 -0.228 0.193 0.589 59 Y N 2.787 123.104 120.300 0.029 0.000 2.810 59 Y HA -0.302 4.279 4.550 0.052 0.000 0.332 59 Y C -0.803 175.098 175.900 0.002 0.000 1.243 59 Y CA 1.910 60.029 58.100 0.032 0.000 1.537 59 Y CB 0.407 38.871 38.460 0.005 0.000 1.265 59 Y HN -0.343 7.847 8.280 0.165 0.189 0.572 60 K N 6.312 126.103 120.400 -1.016 0.000 2.555 60 K HA 0.234 4.047 4.320 -0.845 0.000 0.279 60 K C -2.106 173.991 176.600 -0.838 0.000 0.986 60 K CA -1.633 54.130 56.287 -0.872 0.000 0.880 60 K CB 4.127 36.239 32.500 -0.647 0.000 1.474 60 K HN 0.068 7.797 8.250 -0.867 0.000 0.433 61 S N -0.181 115.206 115.700 -0.522 0.000 2.651 61 S HA 0.095 4.433 4.470 -0.219 0.000 0.291 61 S C 0.645 175.126 174.600 -0.198 0.000 1.141 61 S CA -0.476 57.567 58.200 -0.262 0.000 1.027 61 S CB 0.535 63.661 63.200 -0.123 0.000 1.043 61 S HN 0.014 8.057 8.310 -0.446 0.000 0.530 62 G N 2.978 111.705 108.800 -0.122 0.000 2.326 62 G HA2 -0.230 3.683 3.960 -0.078 0.000 0.286 62 G HA3 -0.230 3.659 3.960 -0.117 0.000 0.286 62 G C -1.458 173.376 174.900 -0.109 0.000 1.096 62 G CA 0.061 45.097 45.100 -0.107 0.000 1.003 62 G HN 0.299 8.538 8.290 -0.086 0.000 0.503 63 I N -1.002 119.525 120.570 -0.071 0.000 2.437 63 I HA 0.159 4.453 4.170 -0.002 -0.125 0.298 63 I C -2.039 174.052 176.117 -0.042 0.000 0.984 63 I CA -1.317 59.971 61.300 -0.021 0.000 1.214 63 I CB 1.863 39.881 38.000 0.031 0.000 1.365 63 I HN -0.511 7.661 8.210 -0.064 0.000 0.469 64 Q N 5.878 125.643 119.800 -0.060 0.000 2.340 64 Q HA 0.458 4.869 4.340 -0.050 -0.102 0.268 64 Q C -1.789 174.160 176.000 -0.085 0.000 1.031 64 Q CA -1.447 54.311 55.803 -0.075 0.000 0.804 64 Q CB 3.979 32.647 28.738 -0.117 0.000 1.286 64 Q HN 0.315 8.551 8.270 -0.057 0.000 0.448 65 V N 7.202 127.087 119.914 -0.048 0.000 2.439 65 V HA 0.283 4.489 4.120 -0.065 -0.125 0.282 65 V C -1.216 174.886 176.094 0.014 0.000 1.039 65 V CA -0.093 62.188 62.300 -0.031 0.000 0.913 65 V CB 0.976 32.795 31.823 -0.008 0.000 0.983 65 V HN 0.961 9.029 8.190 -0.026 0.106 0.460 66 R N 6.361 126.862 120.500 0.002 0.000 2.393 66 R HA 0.708 5.413 4.340 0.296 -0.187 0.315 66 R C -0.977 175.399 176.300 0.127 0.000 0.952 66 R CA -1.364 54.806 56.100 0.115 0.000 0.842 66 R CB 1.845 32.103 30.300 -0.070 0.000 1.163 66 R HN 0.781 9.026 8.270 -0.042 0.000 0.450 70 E N -0.690 119.609 120.200 0.166 0.000 2.283 70 E HA 0.228 4.668 4.350 0.151 0.000 0.271 70 E C -1.990 174.789 176.600 0.298 0.000 1.031 70 E CA -0.277 56.246 56.400 0.205 0.000 0.868 70 E CB 1.768 31.553 29.700 0.142 0.000 1.094 70 E HN -0.425 8.016 8.360 0.185 0.031 0.401 71 D N 0.674 121.237 120.400 0.271 0.000 2.845 71 D HA 0.050 4.880 4.640 0.317 0.000 0.155 71 D C -1.138 175.370 176.300 0.348 0.000 1.490 71 D CA 1.153 55.318 54.000 0.276 0.000 1.548 71 D CB 2.484 43.362 40.800 0.130 0.000 1.523 71 D HN 0.091 8.576 8.370 0.192 0.000 0.233 72 N N 0.942 119.755 118.700 0.188 0.000 2.422 72 N HA 0.319 5.326 4.740 0.199 -0.148 0.264 72 N C 1.984 177.514 175.510 0.032 0.000 1.063 72 N CA -0.689 52.443 53.050 0.138 0.000 0.959 72 N CB 0.913 39.451 38.487 0.085 0.000 1.087 72 N HN -0.328 8.433 8.380 0.137 -0.298 0.483 73 I N 0.072 120.575 120.570 -0.111 0.000 3.564 73 I HA 0.008 4.037 4.170 -0.235 0.000 0.294 73 I C -0.694 175.338 176.117 -0.141 0.000 1.289 73 I CA 0.892 62.027 61.300 -0.274 0.000 1.325 73 I CB -0.850 36.750 38.000 -0.666 0.000 1.039 73 I HN 0.729 8.793 8.210 -0.078 0.099 0.474 74 N N -1.631 117.035 118.700 -0.058 0.000 2.184 74 N HA 0.190 4.907 4.740 -0.037 0.000 0.206 74 N C -1.137 174.380 175.510 0.011 0.000 1.151 74 N CA -0.239 52.797 53.050 -0.023 0.000 0.878 74 N CB 2.234 40.716 38.487 -0.008 0.000 1.014 74 N HN 0.010 8.679 8.380 -0.032 -0.308 0.512 75 V N 0.911 120.841 119.914 0.026 0.000 2.525 75 V HA 0.059 4.202 4.120 0.038 0.000 0.299 75 V C -1.351 174.778 176.094 0.058 0.000 1.034 75 V CA -0.824 61.500 62.300 0.040 0.000 0.863 75 V CB 2.934 34.778 31.823 0.036 0.000 0.999 75 V HN -0.849 7.363 8.190 0.021 -0.010 0.423 76 V N 8.403 128.356 119.914 0.065 0.000 2.390 76 V HA -0.251 4.130 4.120 0.093 -0.205 0.260 76 V C 0.476 176.584 176.094 0.023 0.000 1.043 76 V CA 1.098 63.434 62.300 0.060 0.000 1.047 76 V CB -0.749 31.105 31.823 0.051 0.000 1.066 76 V HN 0.403 8.629 8.190 0.059 0.000 0.481 77 E N 8.934 129.148 120.200 0.024 0.000 2.489 77 E HA -0.013 4.346 4.350 0.014 0.000 0.193 77 E C 0.549 177.147 176.600 -0.004 0.000 1.057 77 E CA 0.108 56.517 56.400 0.015 0.000 0.866 77 E CB 0.132 29.849 29.700 0.029 0.000 0.916 77 E HN 0.286 8.944 8.360 0.039 -0.275 0.500 78 G N -1.597 107.187 108.800 -0.027 0.000 2.238 78 G HA2 -0.352 3.571 3.960 -0.061 0.000 0.217 78 G HA3 -0.352 3.590 3.960 -0.030 0.000 0.217 78 G C 0.028 174.895 174.900 -0.055 0.000 0.996 78 G CA 0.336 45.409 45.100 -0.045 0.000 0.632 78 G HN 0.087 8.470 8.290 -0.034 -0.113 0.503 79 N N 0.145 118.821 118.700 -0.041 0.000 2.238 79 N HA 0.086 4.798 4.740 -0.046 0.000 0.222 79 N C -1.599 173.878 175.510 -0.055 0.000 1.133 79 N CA -0.728 52.299 53.050 -0.038 0.000 0.854 79 N CB 0.765 39.248 38.487 -0.008 0.000 1.041 79 N HN 0.346 8.713 8.380 -0.023 0.000 0.510 80 E N -0.136 119.996 120.200 -0.113 0.000 2.318 80 E HA 0.348 4.924 4.350 -0.039 -0.250 0.265 80 E C -0.248 176.182 176.600 -0.284 0.000 1.069 80 E CA -0.480 55.820 56.400 -0.168 0.000 0.893 80 E CB 0.907 30.426 29.700 -0.302 0.000 1.076 80 E HN -0.463 7.740 8.360 -0.131 0.078 0.414 81 Q N 0.292 119.985 119.800 -0.178 0.000 2.274 81 Q HA 0.303 4.504 4.340 -0.231 0.000 0.268 81 Q C -1.398 174.646 176.000 0.073 0.000 1.015 81 Q CA -1.164 54.562 55.803 -0.128 0.000 0.775 81 Q CB 3.185 31.905 28.738 -0.030 0.000 1.256 81 Q HN 0.144 8.400 8.270 -0.023 0.000 0.442 82 F N 3.513 123.446 119.950 -0.027 0.000 2.375 82 F HA 0.857 5.554 4.527 -0.040 -0.194 0.361 82 F C 0.074 175.852 175.800 -0.036 0.000 1.117 82 F CA -1.743 56.236 58.000 -0.036 0.000 1.037 82 F CB 1.893 40.869 39.000 -0.039 0.000 1.192 82 F HN 0.292 8.560 8.300 -0.053 0.000 0.452 83 I N 4.477 125.125 120.570 0.130 0.000 2.498 83 I HA 0.322 4.519 4.170 0.045 0.000 0.290 83 I C -0.814 175.309 176.117 0.010 0.000 1.032 83 I CA -1.339 59.989 61.300 0.046 0.000 1.073 83 I CB 3.774 41.783 38.000 0.015 0.000 1.251 83 I HN 0.926 9.211 8.210 0.125 0.000 0.426 84 S N 6.633 122.329 115.700 -0.007 0.000 2.603 84 S HA 0.127 4.692 4.470 -0.030 -0.113 0.268 84 S C -0.626 173.946 174.600 -0.047 0.000 1.317 84 S CA 0.421 58.604 58.200 -0.028 0.000 1.012 84 S CB 0.983 64.167 63.200 -0.027 0.000 0.926 84 S HN 0.497 8.806 8.310 -0.002 0.000 0.539 85 A N 2.180 124.970 122.820 -0.050 0.000 2.354 85 A HA 0.350 4.758 4.320 -0.094 -0.144 0.269 85 A C -0.504 177.039 177.584 -0.069 0.000 1.109 85 A CA -0.712 51.285 52.037 -0.067 0.000 0.800 85 A CB 0.888 19.864 19.000 -0.041 0.000 1.045 85 A HN -0.222 7.902 8.150 -0.043 0.000 0.489 86 S N 2.378 118.017 115.700 -0.102 0.000 2.468 86 S HA 0.085 4.520 4.470 -0.058 0.000 0.226 86 S C 0.434 175.002 174.600 -0.053 0.000 1.051 86 S CA 1.187 59.337 58.200 -0.083 0.000 0.943 86 S CB 1.281 64.412 63.200 -0.116 0.000 0.810 86 S HN 0.629 8.735 8.310 -0.152 0.113 0.509 87 K N 0.874 121.235 120.400 -0.065 0.000 2.556 87 K HA 0.254 4.596 4.320 0.037 0.000 0.274 87 K C -2.387 174.243 176.600 0.051 0.000 0.966 87 K CA 0.116 56.408 56.287 0.008 0.000 0.865 87 K CB 3.019 35.532 32.500 0.022 0.000 1.444 87 K HN -0.824 7.352 8.250 -0.123 0.000 0.433 88 S N 2.114 117.893 115.700 0.131 0.000 2.526 88 S HA 0.929 5.693 4.470 0.192 -0.179 0.293 88 S C -1.010 173.713 174.600 0.205 0.000 1.092 88 S CA -0.859 57.459 58.200 0.197 0.000 0.980 88 S CB 2.564 65.930 63.200 0.278 0.000 1.048 88 S HN 0.098 8.488 8.310 0.133 0.000 0.483 89 I N 6.544 127.255 120.570 0.234 0.000 2.468 89 I HA 0.197 4.466 4.170 0.164 0.000 0.285 89 I C -1.747 174.521 176.117 0.252 0.000 1.039 89 I CA -0.453 60.984 61.300 0.228 0.000 1.074 89 I CB 3.178 41.335 38.000 0.261 0.000 1.228 89 I HN 1.012 9.379 8.210 0.261 0.000 0.436 90 V N 6.933 126.926 119.914 0.132 0.000 2.644 90 V HA -0.060 4.109 4.120 0.082 0.000 0.295 90 V C -0.514 175.624 176.094 0.074 0.000 1.053 90 V CA -1.185 61.153 62.300 0.063 0.000 0.987 90 V CB 1.185 32.966 31.823 -0.069 0.000 1.006 90 V HN 0.233 8.464 8.190 0.068 0.000 0.472 91 H N 7.637 126.613 119.070 -0.156 0.000 3.094 91 H HA -0.093 3.948 4.556 -0.858 0.000 0.320 91 H C 0.211 175.412 175.328 -0.212 0.000 1.000 91 H CA 0.511 56.264 56.048 -0.491 0.000 1.413 91 H CB 1.616 30.997 29.762 -0.635 0.000 1.405 91 H HN -0.236 8.035 8.280 -0.014 0.000 0.586 92 P HA -0.164 4.211 4.420 -0.075 0.000 0.217 92 P C -0.217 177.085 177.300 0.003 0.000 1.148 92 P CA 1.878 64.873 63.100 -0.175 0.000 0.834 92 P CB 0.269 31.840 31.700 -0.215 0.000 0.783 93 S N -3.519 112.298 115.700 0.195 0.000 2.572 93 S HA 0.025 4.541 4.470 0.076 0.000 0.228 93 S C -0.646 174.045 174.600 0.153 0.000 0.963 93 S CA -0.256 58.048 58.200 0.175 0.000 0.939 93 S CB 0.749 64.053 63.200 0.175 0.000 0.804 93 S HN -0.447 8.099 8.310 0.446 0.032 0.480 94 Y N 5.026 125.356 120.300 0.051 0.000 2.717 94 Y HA -0.279 4.545 4.550 -0.055 -0.306 0.330 94 Y C -0.733 175.152 175.900 -0.024 0.000 1.217 94 Y CA 1.096 59.185 58.100 -0.019 0.000 1.506 94 Y CB 0.594 39.043 38.460 -0.018 0.000 1.268 94 Y HN -0.592 7.706 8.280 0.303 0.163 0.561 95 N N 7.538 125.855 118.700 -0.639 0.000 2.564 95 N HA 0.223 4.696 4.740 -0.446 0.000 0.248 95 N C -0.175 174.776 175.510 -0.932 0.000 0.986 95 N CA -1.198 51.506 53.050 -0.577 0.000 0.921 95 N CB 1.218 39.526 38.487 -0.299 0.000 1.136 95 N HN -0.230 7.861 8.380 -0.481 0.000 0.509 96 S N 6.035 121.171 115.700 -0.940 0.000 2.507 96 S HA -0.126 3.894 4.470 -0.749 0.000 0.235 96 S C 1.071 175.482 174.600 -0.314 0.000 0.988 96 S CA 2.571 60.406 58.200 -0.608 0.000 0.944 96 S CB -0.235 62.842 63.200 -0.205 0.000 0.762 96 S HN 0.726 8.607 8.310 -0.715 0.000 0.526 97 N N 1.271 119.791 118.700 -0.300 0.000 2.290 97 N HA -0.047 4.575 4.740 -0.197 0.000 0.179 97 N C 1.002 176.350 175.510 -0.270 0.000 1.016 97 N CA 2.362 55.276 53.050 -0.228 0.000 0.871 97 N CB 0.683 39.064 38.487 -0.177 0.000 0.987 97 N HN 0.043 8.431 8.380 -0.334 -0.209 0.431 98 T N -4.058 110.325 114.554 -0.284 0.000 3.001 98 T HA 0.094 4.229 4.350 -0.357 0.000 0.251 98 T C 0.131 174.615 174.700 -0.361 0.000 1.040 98 T CA -0.178 61.738 62.100 -0.307 0.000 0.985 98 T CB 1.560 70.305 68.868 -0.204 0.000 1.011 98 T HN -0.597 7.681 8.240 -0.286 -0.210 0.509 99 L N -3.989 117.063 121.223 -0.284 0.000 4.351 99 L HA -0.483 3.943 4.340 0.038 -0.063 0.410 99 L C -1.907 174.995 176.870 0.055 0.000 1.150 99 L CA 0.653 55.439 54.840 -0.090 0.000 0.961 99 L CB -2.680 39.256 42.059 -0.206 0.000 2.130 99 L HN -0.110 7.881 8.230 -0.321 0.045 0.787 100 N N -0.631 118.054 118.700 -0.026 0.000 2.513 100 N HA -0.149 4.647 4.740 0.094 0.000 0.268 100 N C -0.140 175.419 175.510 0.082 0.000 1.180 100 N CA 0.715 53.790 53.050 0.041 0.000 0.948 100 N CB 1.110 39.592 38.487 -0.010 0.000 1.083 100 N HN -0.784 7.470 8.380 -0.129 0.048 0.455 101 N N -0.812 117.932 118.700 0.073 0.000 2.771 101 N HA -0.463 4.190 4.740 -0.145 0.000 0.249 101 N C -1.386 174.089 175.510 -0.058 0.000 1.069 101 N CA 1.333 54.316 53.050 -0.112 0.000 0.688 101 N CB -1.504 36.817 38.487 -0.276 0.000 0.928 101 N HN 0.610 9.057 8.380 0.112 0.000 0.551 102 D N -0.741 119.668 120.400 0.016 0.000 2.619 102 D HA 0.091 4.689 4.640 -0.070 0.000 0.224 102 D C -2.042 174.152 176.300 -0.176 0.000 1.133 102 D CA -0.522 53.477 54.000 -0.002 0.000 1.017 102 D CB -0.686 40.222 40.800 0.182 0.000 1.077 102 D HN -0.008 8.389 8.370 0.044 0.000 0.503 103 I N 1.481 121.878 120.570 -0.288 0.000 2.827 103 I HA 0.701 4.951 4.170 -0.133 -0.160 0.298 103 I C -3.033 173.041 176.117 -0.073 0.000 1.235 103 I CA -1.574 59.601 61.300 -0.208 0.000 1.021 103 I CB 3.815 41.584 38.000 -0.385 0.000 1.259 103 I HN -0.409 7.572 8.210 -0.313 0.041 0.427 104 M N 4.365 124.005 119.600 0.066 0.000 2.569 104 M HA 0.865 5.659 4.480 0.303 -0.133 0.279 104 M C -2.732 173.711 176.300 0.239 0.000 1.253 104 M CA -1.129 54.283 55.300 0.187 0.000 0.867 104 M CB 4.759 37.418 32.600 0.099 0.000 1.727 104 M HN 0.462 8.783 8.290 0.051 0.000 0.467 105 L N -0.313 121.084 121.223 0.290 0.000 2.346 105 L HA 0.917 5.586 4.340 0.252 -0.178 0.274 105 L C -1.275 175.792 176.870 0.328 0.000 1.007 105 L CA -1.470 53.541 54.840 0.286 0.000 0.818 105 L CB 3.845 46.010 42.059 0.176 0.000 1.284 105 L HN 0.605 9.034 8.230 0.331 0.000 0.424 106 I N 0.503 121.262 120.570 0.314 0.000 2.447 106 I HA 0.527 4.941 4.170 0.124 -0.170 0.287 106 I C -1.758 174.329 176.117 -0.050 0.000 1.023 106 I CA -1.226 60.156 61.300 0.137 0.000 1.083 106 I CB 2.996 41.044 38.000 0.081 0.000 1.245 106 I HN 0.985 9.407 8.210 0.353 0.000 0.434 107 K N 6.647 126.815 120.400 -0.387 0.000 2.130 107 K HA 0.716 4.471 4.320 -1.229 -0.172 0.268 107 K C -1.088 175.240 176.600 -0.453 0.000 0.983 107 K CA -2.081 53.634 56.287 -0.954 0.000 0.893 107 K CB 3.380 35.069 32.500 -1.353 0.000 1.066 107 K HN 0.694 8.806 8.250 -0.229 0.000 0.450 108 L N 3.911 124.885 121.223 -0.415 0.000 2.375 108 L HA 0.234 4.593 4.340 -0.161 -0.115 0.271 108 L C 1.712 178.462 176.870 -0.200 0.000 1.107 108 L CA -0.124 54.584 54.840 -0.220 0.000 0.806 108 L CB 0.513 42.478 42.059 -0.155 0.000 1.146 108 L HN 0.558 8.453 8.230 -0.558 0.000 0.447 109 K N 2.352 122.676 120.400 -0.125 0.000 2.155 109 K HA -0.223 4.031 4.320 -0.111 0.000 0.203 109 K C 0.097 176.648 176.600 -0.082 0.000 1.052 109 K CA 2.458 58.687 56.287 -0.096 0.000 0.948 109 K CB 0.422 32.886 32.500 -0.061 0.000 0.728 109 K HN 0.600 8.790 8.250 -0.100 0.000 0.448 110 S N -3.642 112.016 115.700 -0.071 0.000 2.632 110 S HA 0.142 4.580 4.470 -0.052 0.000 0.289 110 S C -1.847 172.720 174.600 -0.055 0.000 1.115 110 S CA -1.255 56.914 58.200 -0.052 0.000 0.889 110 S CB 2.174 65.355 63.200 -0.032 0.000 1.116 110 S HN -0.406 7.847 8.310 -0.071 0.015 0.486 111 A N 0.594 123.391 122.820 -0.040 0.000 2.340 111 A HA 0.110 4.563 4.320 -0.041 -0.158 0.268 111 A C -0.708 176.867 177.584 -0.014 0.000 1.100 111 A CA -0.212 51.808 52.037 -0.028 0.000 0.803 111 A CB 0.906 19.898 19.000 -0.014 0.000 1.043 111 A HN 0.164 8.294 8.150 -0.033 0.000 0.488 112 A N 1.551 124.369 122.820 -0.004 0.000 2.313 112 A HA 0.208 4.617 4.320 -0.000 -0.089 0.261 112 A C -0.324 177.264 177.584 0.008 0.000 1.090 112 A CA -1.054 50.986 52.037 0.005 0.000 0.807 112 A CB 1.123 20.135 19.000 0.021 0.000 1.055 112 A HN 0.129 8.166 8.150 -0.003 0.111 0.492 113 S N 0.502 116.205 115.700 0.005 0.000 2.461 113 S HA 0.139 4.613 4.470 0.007 0.000 0.322 113 S C -1.014 173.593 174.600 0.013 0.000 1.063 113 S CA -0.824 57.379 58.200 0.005 0.000 1.120 113 S CB 0.020 63.218 63.200 -0.005 0.000 0.968 113 S HN -0.097 8.510 8.310 0.002 -0.296 0.467 114 L N 6.629 127.864 121.223 0.020 0.000 2.397 114 L HA 0.002 4.485 4.340 0.032 -0.123 0.271 114 L C -0.227 176.656 176.870 0.022 0.000 1.148 114 L CA 0.188 55.045 54.840 0.028 0.000 0.825 114 L CB 0.222 42.303 42.059 0.036 0.000 1.117 114 L HN 0.300 8.542 8.230 0.020 0.000 0.456 115 N N 3.555 122.268 118.700 0.023 0.000 3.526 115 N HA 0.185 4.935 4.740 0.017 0.000 0.328 115 N C -1.087 174.436 175.510 0.022 0.000 1.601 115 N CA -0.718 52.343 53.050 0.018 0.000 0.834 115 N CB 0.744 39.236 38.487 0.009 0.000 1.983 115 N HN 0.322 8.606 8.380 0.029 0.113 0.579 116 S N -1.421 114.289 115.700 0.017 0.000 2.402 116 S HA -0.182 4.302 4.470 0.023 0.000 0.229 116 S C 0.603 175.213 174.600 0.017 0.000 1.021 116 S CA 2.695 60.906 58.200 0.018 0.000 0.974 116 S CB 0.111 63.319 63.200 0.013 0.000 0.800 116 S HN 0.167 8.484 8.310 0.012 0.000 0.484 117 R N -1.269 119.239 120.500 0.013 0.000 2.254 117 R HA -0.034 4.308 4.340 0.004 0.000 0.195 117 R C -1.387 174.922 176.300 0.016 0.000 0.957 117 R CA 0.967 57.073 56.100 0.010 0.000 1.024 117 R CB 1.266 31.570 30.300 0.008 0.000 0.952 117 R HN -0.115 8.423 8.270 0.012 -0.261 0.484 118 V N -1.097 118.832 119.914 0.025 0.000 2.349 118 V HA 0.222 4.533 4.120 0.042 -0.165 0.284 118 V C -1.963 174.164 176.094 0.055 0.000 1.014 118 V CA -1.197 61.126 62.300 0.040 0.000 0.826 118 V CB 1.510 33.353 31.823 0.034 0.000 1.009 118 V HN -0.321 8.022 8.190 0.023 -0.139 0.431 119 A N 7.231 130.100 122.820 0.082 0.000 2.527 119 A HA 0.495 4.864 4.320 0.081 0.000 0.293 119 A C -2.276 175.397 177.584 0.149 0.000 1.117 119 A CA -1.390 50.709 52.037 0.103 0.000 0.723 119 A CB 3.166 22.232 19.000 0.111 0.000 1.313 119 A HN -0.041 8.040 8.150 0.085 0.119 0.411 120 S N -1.074 114.703 115.700 0.128 0.000 2.722 120 S HA 0.697 5.393 4.470 0.164 -0.128 0.292 120 S C -0.849 173.812 174.600 0.102 0.000 1.135 120 S CA -1.474 56.803 58.200 0.128 0.000 1.003 120 S CB 1.980 65.233 63.200 0.088 0.000 1.067 120 S HN -0.024 8.346 8.310 0.099 0.000 0.546 121 I N 0.318 120.903 120.570 0.025 0.000 2.693 121 I HA 0.300 4.403 4.170 -0.111 0.000 0.303 121 I C -1.766 174.304 176.117 -0.078 0.000 1.025 121 I CA -2.016 59.205 61.300 -0.133 0.000 1.086 121 I CB 3.504 41.223 38.000 -0.467 0.000 1.268 121 I HN -0.003 8.233 8.210 0.045 0.000 0.440 122 S N 5.726 121.376 115.700 -0.083 0.000 2.601 122 S HA 0.239 4.694 4.470 -0.026 0.000 0.271 122 S C -0.766 173.806 174.600 -0.046 0.000 1.305 122 S CA -0.133 58.039 58.200 -0.046 0.000 1.022 122 S CB 0.805 63.983 63.200 -0.037 0.000 0.940 122 S HN 0.198 8.444 8.310 -0.107 0.000 0.525 123 L N 2.070 123.280 121.223 -0.022 0.000 2.399 123 L HA 0.215 4.554 4.340 -0.002 0.000 0.266 123 L C -1.200 175.666 176.870 -0.007 0.000 1.114 123 L CA -2.389 52.448 54.840 -0.005 0.000 0.804 123 L CB 0.363 42.425 42.059 0.006 0.000 1.146 123 L HN 0.246 8.466 8.230 -0.017 0.000 0.451 124 P HA 0.123 4.532 4.420 -0.018 0.000 0.276 124 P C -1.145 176.153 177.300 -0.002 0.000 1.244 124 P CA -0.551 62.545 63.100 -0.006 0.000 0.801 124 P CB 0.516 32.213 31.700 -0.005 0.000 1.006 128 c N 0.643 119.219 118.600 -0.040 0.000 2.595 128 c HA 0.062 4.597 4.570 -0.059 0.000 0.384 128 c C 0.184 174.216 174.090 -0.095 0.000 1.289 128 c CA -0.326 55.965 56.329 -0.064 0.000 2.372 128 c CB 0.284 42.760 42.510 -0.057 0.000 2.593 128 c HN -0.038 8.171 8.230 -0.035 0.000 0.639 129 A N 2.219 124.947 122.820 -0.154 0.000 2.279 129 A HA 0.073 4.320 4.320 -0.121 0.000 0.303 129 A C -1.039 176.438 177.584 -0.177 0.000 1.108 129 A CA -0.244 51.691 52.037 -0.169 0.000 0.830 129 A CB 1.181 20.045 19.000 -0.227 0.000 1.106 129 A HN 0.200 8.234 8.150 -0.193 0.000 0.493 133 G N 0.507 109.265 108.800 -0.070 0.000 2.308 133 G HA2 -0.234 3.693 3.960 -0.055 0.000 0.221 133 G HA3 -0.234 3.698 3.960 -0.048 0.000 0.221 133 G C 0.303 175.164 174.900 -0.065 0.000 1.032 133 G CA -0.117 44.948 45.100 -0.058 0.000 0.623 133 G HN 0.467 8.601 8.290 -0.075 0.111 0.506 134 T N 4.366 118.871 114.554 -0.082 0.000 2.902 134 T HA -0.170 4.143 4.350 -0.061 0.000 0.301 134 T C -0.557 174.097 174.700 -0.077 0.000 1.012 134 T CA 2.283 64.335 62.100 -0.080 0.000 1.151 134 T CB 0.341 69.145 68.868 -0.107 0.000 0.946 134 T HN -0.460 7.637 8.240 -0.095 0.086 0.542 135 Q N 5.046 124.816 119.800 -0.051 0.000 2.261 135 Q HA 0.050 4.479 4.340 -0.043 -0.115 0.252 135 Q C -0.869 175.112 176.000 -0.032 0.000 0.915 135 Q CA 0.287 56.070 55.803 -0.033 0.000 0.915 135 Q CB 1.081 29.817 28.738 -0.003 0.000 1.204 135 Q HN 0.203 8.448 8.270 -0.042 0.000 0.421 136 c N 1.214 119.797 118.600 -0.029 0.000 2.973 136 c HA 0.621 5.288 4.570 -0.021 -0.110 0.329 136 c C -1.543 172.552 174.090 0.008 0.000 1.327 136 c CA -1.407 54.907 56.329 -0.024 0.000 1.632 136 c CB 4.302 46.778 42.510 -0.056 0.000 2.098 136 c HN 0.781 8.878 8.230 -0.029 0.116 0.469 137 L N 0.635 121.868 121.223 0.017 0.000 2.349 137 L HA 0.671 5.188 4.340 0.052 -0.146 0.278 137 L C -2.321 174.561 176.870 0.021 0.000 0.996 137 L CA -1.150 53.716 54.840 0.043 0.000 0.825 137 L CB 3.283 45.392 42.059 0.082 0.000 1.243 137 L HN 0.696 8.821 8.230 0.008 0.110 0.412 138 I N 7.653 128.220 120.570 -0.005 0.000 2.441 138 I HA 0.792 5.175 4.170 0.001 -0.212 0.295 138 I C -1.381 174.704 176.117 -0.054 0.000 0.994 138 I CA -1.458 59.833 61.300 -0.016 0.000 1.144 138 I CB 2.423 40.412 38.000 -0.017 0.000 1.314 138 I HN 0.888 9.098 8.210 0.000 0.000 0.445 139 S N 3.250 118.917 115.700 -0.055 0.000 2.546 139 S HA 1.046 5.571 4.470 -0.220 -0.186 0.274 139 S C -1.102 173.388 174.600 -0.183 0.000 1.121 139 S CA -1.674 56.424 58.200 -0.171 0.000 0.887 139 S CB 3.634 66.706 63.200 -0.214 0.000 1.094 139 S HN -0.196 8.113 8.310 -0.001 0.000 0.474 140 G N -0.153 108.456 108.800 -0.317 0.000 2.328 140 G HA2 0.231 3.980 3.960 -0.351 0.000 0.295 140 G HA3 0.231 4.306 3.960 -0.033 -0.135 0.295 140 G C -2.372 172.335 174.900 -0.321 0.000 1.413 140 G CA 0.621 45.568 45.100 -0.255 0.000 0.817 140 G HN 0.457 8.511 8.290 -0.393 0.000 0.546 141 W N 1.074 122.351 121.300 -0.039 0.000 3.015 141 W HA 0.394 5.014 4.660 -0.067 0.000 0.429 141 W C -0.255 176.306 176.519 0.070 0.000 0.976 141 W CA -0.913 56.385 57.345 -0.078 0.000 2.086 141 W CB 0.189 29.444 29.460 -0.341 0.000 1.125 141 W HN 0.599 8.984 8.180 0.342 0.000 0.721 142 G N 0.710 109.653 108.800 0.239 0.000 2.588 142 G HA2 -0.002 4.235 3.960 0.433 0.000 0.281 142 G HA3 -0.002 4.232 3.960 0.185 -0.163 0.281 142 G C -0.923 173.912 174.900 -0.108 0.000 1.236 142 G CA -0.924 44.299 45.100 0.205 0.000 0.969 142 G HN -0.469 8.043 8.290 0.148 -0.134 0.504 143 N N -0.357 118.083 118.700 -0.434 0.000 2.294 143 N HA -0.327 3.904 4.740 -1.117 -0.162 0.248 143 N C 0.716 176.059 175.510 -0.280 0.000 1.242 143 N CA 1.336 53.971 53.050 -0.691 0.000 0.848 143 N CB 0.575 38.730 38.487 -0.554 0.000 1.084 143 N HN 0.122 8.350 8.380 -0.254 0.000 0.457 144 T N 0.072 114.488 114.554 -0.230 0.000 3.129 144 T HA 0.195 4.626 4.350 -0.089 -0.134 0.267 144 T C 0.031 174.686 174.700 -0.075 0.000 1.018 144 T CA 0.079 62.113 62.100 -0.110 0.000 0.903 144 T CB 1.173 69.994 68.868 -0.078 0.000 1.067 144 T HN 0.087 8.156 8.240 -0.284 0.000 0.549 145 K N 1.591 121.941 120.400 -0.083 0.000 2.281 145 K HA 0.365 4.667 4.320 -0.030 0.000 0.242 145 K C -0.048 176.535 176.600 -0.029 0.000 0.971 145 K CA -1.944 54.318 56.287 -0.042 0.000 0.834 145 K CB 2.636 35.115 32.500 -0.035 0.000 1.181 145 K HN -0.789 7.595 8.250 -0.126 -0.210 0.435 146 S N 0.708 116.402 115.700 -0.010 0.000 2.456 146 S HA -0.096 4.377 4.470 0.005 0.000 0.224 146 S C -0.164 174.442 174.600 0.010 0.000 1.035 146 S CA 1.401 59.603 58.200 0.004 0.000 0.940 146 S CB 0.898 64.104 63.200 0.010 0.000 0.799 146 S HN 0.257 8.562 8.310 -0.008 0.000 0.508 147 S N 0.546 116.250 115.700 0.007 0.000 2.252 147 S HA 0.182 4.663 4.470 0.018 0.000 0.187 147 S C -0.767 173.839 174.600 0.011 0.000 1.587 147 S CA -0.454 57.754 58.200 0.013 0.000 1.215 147 S CB 0.176 63.384 63.200 0.013 0.000 1.085 147 S HN -0.371 7.914 8.310 0.002 0.026 0.466 148 G N 2.493 111.301 108.800 0.013 0.000 2.343 148 G HA2 -0.107 3.868 3.960 0.026 0.000 0.289 148 G HA3 -0.107 3.859 3.960 0.011 0.000 0.289 148 G C -2.543 172.366 174.900 0.016 0.000 1.295 148 G CA 0.128 45.238 45.100 0.017 0.000 0.869 148 G HN -0.477 7.821 8.290 0.014 0.000 0.522 149 T N -0.141 114.431 114.554 0.031 0.000 2.965 149 T HA 0.159 4.666 4.350 -0.015 -0.166 0.306 149 T C -1.643 173.089 174.700 0.053 0.000 0.991 149 T CA 0.120 62.253 62.100 0.055 0.000 1.001 149 T CB 1.816 70.778 68.868 0.157 0.000 0.984 149 T HN -0.123 8.138 8.240 0.035 0.000 0.446 150 S N 6.405 122.075 115.700 -0.050 0.000 2.775 150 S HA 0.231 4.760 4.470 0.098 0.000 0.277 150 S C -2.144 172.414 174.600 -0.070 0.000 1.156 150 S CA -0.164 58.041 58.200 0.009 0.000 1.081 150 S CB 1.220 64.412 63.200 -0.012 0.000 1.054 150 S HN 0.618 9.191 8.310 -0.215 -0.392 0.482 151 Y N 5.981 126.314 120.300 0.056 0.000 2.335 151 Y HA 0.214 4.814 4.550 0.083 0.000 0.339 151 Y C -1.058 174.886 175.900 0.074 0.000 0.987 151 Y CA -2.703 55.441 58.100 0.075 0.000 1.140 151 Y CB 0.904 39.414 38.460 0.084 0.000 1.173 151 Y HN 0.124 8.604 8.280 0.333 0.000 0.486 152 P HA 0.329 4.818 4.420 0.116 0.000 0.276 152 P C -1.676 175.750 177.300 0.210 0.000 1.252 152 P CA -0.615 62.574 63.100 0.148 0.000 0.802 152 P CB 2.102 33.856 31.700 0.089 0.000 1.035 153 D N -1.854 118.652 120.400 0.178 0.000 2.423 153 D HA -0.027 4.702 4.640 0.149 0.000 0.208 153 D C -1.607 174.873 176.300 0.300 0.000 1.068 153 D CA 0.746 54.852 54.000 0.176 0.000 0.860 153 D CB 1.177 42.034 40.800 0.095 0.000 0.992 153 D HN 0.426 8.877 8.370 0.136 0.000 0.504 154 V N -6.673 113.401 119.914 0.266 0.000 2.769 154 V HA 0.679 5.199 4.120 0.392 -0.165 0.312 154 V C -0.705 175.389 176.094 -0.000 0.000 1.058 154 V CA -2.753 59.687 62.300 0.233 0.000 0.952 154 V CB 2.465 34.347 31.823 0.098 0.000 1.019 154 V HN -1.005 7.294 8.190 0.181 0.000 0.445 155 L N 3.280 124.355 121.223 -0.247 0.000 2.499 155 L HA -0.076 3.469 4.340 -1.326 0.000 0.273 155 L C -0.613 175.992 176.870 -0.440 0.000 1.195 155 L CA 0.864 55.256 54.840 -0.746 0.000 0.882 155 L CB 0.339 41.957 42.059 -0.735 0.000 1.133 155 L HN -0.110 8.264 8.230 -0.017 -0.154 0.483 156 K N 5.969 126.092 120.400 -0.462 0.000 2.203 156 K HA 0.707 4.985 4.320 -0.352 -0.170 0.251 156 K C -1.176 175.165 176.600 -0.433 0.000 0.944 156 K CA -2.548 53.521 56.287 -0.364 0.000 0.829 156 K CB 2.374 34.729 32.500 -0.242 0.000 1.125 156 K HN -0.001 7.908 8.250 -0.568 0.000 0.430 157 c N 0.143 118.375 118.600 -0.612 0.000 2.614 157 c HA 1.020 5.546 4.570 -0.397 -0.195 0.320 157 c C -1.827 171.909 174.090 -0.591 0.000 1.200 157 c CA -0.906 55.026 56.329 -0.663 0.000 1.700 157 c CB 3.696 45.649 42.510 -0.927 0.000 2.275 157 c HN 0.938 8.610 8.230 -0.744 0.112 0.492 158 L N 1.204 122.292 121.223 -0.224 0.000 2.505 158 L HA 0.469 4.868 4.340 0.099 0.000 0.266 158 L C -2.496 174.444 176.870 0.117 0.000 0.954 158 L CA 0.073 54.923 54.840 0.017 0.000 0.852 158 L CB 4.277 46.353 42.059 0.029 0.000 1.282 158 L HN 0.851 8.976 8.230 -0.174 0.000 0.403 159 K N 6.958 127.486 120.400 0.215 0.000 2.201 159 K HA 0.820 5.429 4.320 0.120 -0.217 0.278 159 K C -0.859 175.865 176.600 0.208 0.000 1.027 159 K CA -0.710 55.680 56.287 0.173 0.000 0.909 159 K CB 1.506 34.109 32.500 0.172 0.000 1.062 159 K HN 0.273 8.691 8.250 0.280 0.000 0.465 160 A N 3.617 126.499 122.820 0.104 0.000 2.549 160 A HA 0.650 4.985 4.320 0.024 0.000 0.297 160 A C -3.376 174.145 177.584 -0.105 0.000 1.061 160 A CA -2.563 49.473 52.037 -0.001 0.000 0.690 160 A CB 2.922 21.921 19.000 -0.000 0.000 1.287 160 A HN 0.643 8.824 8.150 0.051 0.000 0.402 161 P HA 0.665 5.232 4.420 -0.103 -0.209 0.284 161 P C -1.075 176.150 177.300 -0.125 0.000 1.258 161 P CA -1.427 61.583 63.100 -0.150 0.000 0.824 161 P CB 1.596 33.205 31.700 -0.151 0.000 1.038 162 I N -0.033 120.481 120.570 -0.093 0.000 2.529 162 I HA -0.066 4.251 4.170 0.056 -0.113 0.284 162 I C 0.167 176.265 176.117 -0.032 0.000 1.082 162 I CA 0.698 61.968 61.300 -0.049 0.000 1.406 162 I CB 0.443 38.330 38.000 -0.188 0.000 1.405 162 I HN -0.001 8.145 8.210 -0.106 0.000 0.548 163 L N 6.138 127.380 121.223 0.033 0.000 2.358 163 L HA 0.310 4.638 4.340 -0.020 0.000 0.268 163 L C -0.498 176.391 176.870 0.031 0.000 1.032 163 L CA -1.216 53.633 54.840 0.015 0.000 0.805 163 L CB 0.914 42.992 42.059 0.031 0.000 1.253 163 L HN 0.483 8.679 8.230 0.118 0.105 0.452 164 S N -0.688 115.023 115.700 0.018 0.000 2.585 164 S HA -0.046 4.431 4.470 0.012 0.000 0.273 164 S C 0.612 175.239 174.600 0.045 0.000 1.339 164 S CA -0.689 57.523 58.200 0.020 0.000 1.028 164 S CB 1.122 64.328 63.200 0.010 0.000 0.906 164 S HN 0.094 8.409 8.310 0.008 0.000 0.528 165 D N 2.722 123.151 120.400 0.048 0.000 2.218 165 D HA -0.255 4.438 4.640 0.089 0.000 0.204 165 D C 1.881 178.215 176.300 0.057 0.000 0.976 165 D CA 3.645 57.685 54.000 0.067 0.000 0.853 165 D CB -0.362 40.474 40.800 0.061 0.000 0.939 165 D HN 0.540 8.931 8.370 0.035 0.000 0.481 166 S N -0.663 115.061 115.700 0.040 0.000 2.368 166 S HA -0.320 4.173 4.470 0.037 0.000 0.225 166 S C 1.829 176.449 174.600 0.033 0.000 1.030 166 S CA 3.516 61.736 58.200 0.034 0.000 0.999 166 S CB -0.233 62.980 63.200 0.022 0.000 0.844 166 S HN 0.155 8.465 8.310 0.032 0.019 0.459 167 S N 2.609 118.327 115.700 0.030 0.000 2.428 167 S HA -0.030 4.447 4.470 0.012 0.000 0.230 167 S C 1.948 176.569 174.600 0.035 0.000 1.014 167 S CA 2.813 61.026 58.200 0.022 0.000 0.957 167 S CB -0.235 62.974 63.200 0.016 0.000 0.784 167 S HN -0.504 7.824 8.310 0.029 0.000 0.499 168 c N 3.794 122.434 118.600 0.066 0.000 2.453 168 c HA -0.224 4.421 4.570 0.124 0.000 0.277 168 c C 1.910 176.088 174.090 0.146 0.000 1.262 168 c CA 2.760 59.158 56.329 0.116 0.000 1.718 168 c CB -1.854 40.726 42.510 0.118 0.000 2.031 168 c HN -0.170 7.990 8.230 0.064 0.108 0.480 169 K N -0.902 119.564 120.400 0.110 0.000 2.148 169 K HA -0.313 4.101 4.320 0.158 0.000 0.204 169 K C 2.095 178.743 176.600 0.081 0.000 1.050 169 K CA 3.156 59.510 56.287 0.113 0.000 0.942 169 K CB -0.048 32.502 32.500 0.083 0.000 0.724 169 K HN 0.297 8.492 8.250 0.089 0.108 0.446 170 S N -1.084 114.640 115.700 0.041 0.000 2.406 170 S HA -0.220 4.261 4.470 0.018 0.000 0.228 170 S C 0.924 175.501 174.600 -0.038 0.000 1.020 170 S CA 2.806 61.010 58.200 0.008 0.000 0.965 170 S CB -0.019 63.180 63.200 -0.002 0.000 0.798 170 S HN -0.508 7.825 8.310 0.038 0.000 0.488 171 A N 0.023 122.791 122.820 -0.087 0.000 1.897 171 A HA -0.090 4.075 4.320 -0.259 0.000 0.215 171 A C -0.321 177.009 177.584 -0.424 0.000 1.181 171 A CA 1.999 53.848 52.037 -0.313 0.000 0.620 171 A CB 0.712 19.442 19.000 -0.450 0.000 0.821 171 A HN -0.788 7.322 8.150 -0.035 0.019 0.443 172 Y N -4.893 115.442 120.300 0.059 0.000 2.638 172 Y HA 0.544 5.163 4.550 0.116 0.000 0.367 172 Y C -2.545 173.414 175.900 0.099 0.000 1.001 172 Y CA -3.085 55.083 58.100 0.113 0.000 1.133 172 Y CB -0.523 38.053 38.460 0.194 0.000 1.199 172 Y HN -0.555 7.785 8.280 0.101 0.000 0.642 173 P HA -0.027 4.565 4.420 0.104 -0.109 0.264 173 P C 0.631 177.999 177.300 0.113 0.000 1.183 173 P CA 0.441 63.607 63.100 0.110 0.000 0.763 173 P CB 0.272 32.010 31.700 0.064 0.000 0.807 174 G N 4.413 113.269 108.800 0.093 0.000 2.180 174 G HA2 -0.254 3.742 3.960 0.060 0.000 0.263 174 G HA3 -0.254 3.738 3.960 0.053 0.000 0.263 174 G C 0.056 175.004 174.900 0.080 0.000 0.989 174 G CA 1.014 46.157 45.100 0.071 0.000 0.692 174 G HN 0.499 8.842 8.290 0.087 0.000 0.526 175 Q N -2.520 117.363 119.800 0.138 0.000 2.245 175 Q HA 0.086 4.458 4.340 0.055 0.000 0.236 175 Q C -0.447 175.676 176.000 0.205 0.000 0.842 175 Q CA -0.289 55.599 55.803 0.142 0.000 0.945 175 Q CB 1.591 30.453 28.738 0.208 0.000 1.122 175 Q HN -0.362 7.954 8.270 0.178 0.061 0.506 176 I N 0.124 120.812 120.570 0.197 0.000 2.353 176 I HA 0.066 4.371 4.170 0.225 0.000 0.293 176 I C -0.046 176.143 176.117 0.120 0.000 0.992 176 I CA -2.189 59.217 61.300 0.177 0.000 1.268 176 I CB -0.523 37.569 38.000 0.154 0.000 1.387 176 I HN -0.432 7.884 8.210 0.178 0.000 0.478 177 T N 2.188 116.810 114.554 0.113 0.000 2.922 177 T HA 0.379 4.768 4.350 0.065 0.000 0.281 177 T C 0.686 175.435 174.700 0.080 0.000 1.005 177 T CA -2.166 59.981 62.100 0.079 0.000 0.982 177 T CB 2.491 71.399 68.868 0.066 0.000 1.158 177 T HN -0.372 7.950 8.240 0.136 0.000 0.566 178 S N -2.188 113.546 115.700 0.057 0.000 2.603 178 S HA -0.185 4.324 4.470 0.065 0.000 0.229 178 S C 0.138 174.776 174.600 0.064 0.000 0.972 178 S CA 1.601 59.833 58.200 0.052 0.000 0.935 178 S CB -0.282 62.931 63.200 0.022 0.000 0.769 178 S HN 0.260 8.596 8.310 0.043 0.000 0.536 179 N N 0.567 119.318 118.700 0.085 0.000 2.251 179 N HA 0.191 4.995 4.740 0.106 0.000 0.217 179 N C -1.696 173.923 175.510 0.182 0.000 1.124 179 N CA -0.519 52.611 53.050 0.134 0.000 0.843 179 N CB 0.890 39.478 38.487 0.168 0.000 1.024 179 N HN -0.600 7.736 8.380 0.084 0.095 0.501 180 M N -1.450 118.243 119.600 0.154 0.000 2.531 180 M HA 0.762 5.489 4.480 0.063 -0.208 0.286 180 M C -2.180 174.214 176.300 0.156 0.000 1.232 180 M CA -0.321 55.040 55.300 0.101 0.000 0.877 180 M CB 5.226 37.863 32.600 0.062 0.000 1.726 180 M HN -0.735 7.557 8.290 0.141 0.083 0.463 181 F N -4.962 115.022 119.950 0.056 0.000 2.685 181 F HA 0.640 5.190 4.527 0.038 0.000 0.315 181 F C -2.654 173.189 175.800 0.072 0.000 1.126 181 F CA -2.160 55.874 58.000 0.057 0.000 0.950 181 F CB 2.330 41.366 39.000 0.061 0.000 1.360 181 F HN 0.020 8.133 8.300 -0.311 0.000 0.469 182 c N -0.893 117.871 118.600 0.274 0.000 2.529 182 c HA 0.945 5.733 4.570 0.075 -0.173 0.329 182 c C -1.287 173.012 174.090 0.348 0.000 1.194 182 c CA -1.192 55.250 56.329 0.188 0.000 1.779 182 c CB 3.379 45.957 42.510 0.113 0.000 2.322 182 c HN 0.853 9.301 8.230 0.363 0.000 0.500 183 A N 2.280 125.289 122.820 0.315 0.000 2.476 183 A HA 0.674 5.204 4.320 0.096 -0.152 0.280 183 A C -2.358 175.284 177.584 0.096 0.000 1.081 183 A CA -0.500 51.632 52.037 0.158 0.000 0.753 183 A CB 2.733 21.738 19.000 0.008 0.000 1.248 183 A HN 0.175 8.547 8.150 0.369 0.000 0.424 184 Y N 2.728 123.060 120.300 0.054 0.000 2.452 184 Y HA 0.088 4.681 4.550 0.034 -0.023 0.348 184 Y C 1.106 177.023 175.900 0.029 0.000 0.985 184 Y CA -0.437 57.685 58.100 0.037 0.000 1.214 184 Y CB 0.040 38.519 38.460 0.031 0.000 1.136 184 Y HN 0.201 8.628 8.280 0.246 0.000 0.523 185 L N 4.579 125.866 121.223 0.106 0.000 2.191 185 L HA -0.411 3.959 4.340 0.051 0.000 0.212 185 L C 1.113 178.028 176.870 0.075 0.000 1.103 185 L CA 2.746 57.624 54.840 0.064 0.000 0.769 185 L CB -0.516 41.562 42.059 0.031 0.000 0.908 185 L HN 0.551 8.822 8.230 0.068 0.000 0.438 186 E N -2.751 117.512 120.200 0.106 0.000 2.268 186 E HA -0.164 4.215 4.350 0.049 0.000 0.195 186 E C 0.934 177.572 176.600 0.064 0.000 0.995 186 E CA 0.516 56.959 56.400 0.073 0.000 0.836 186 E CB -0.388 29.354 29.700 0.070 0.000 0.763 186 E HN 0.191 8.609 8.360 0.145 0.029 0.491 187 G N 0.665 109.523 108.800 0.096 0.000 3.439 187 G HA2 -0.371 3.731 3.960 0.091 0.000 0.686 187 G HA3 -0.371 3.650 3.960 0.047 -0.033 0.686 187 G C -1.011 173.916 174.900 0.044 0.000 1.075 187 G CA -0.363 44.780 45.100 0.072 0.000 0.926 187 G HN -0.449 7.774 8.290 0.152 0.158 0.485 188 K N 2.125 122.520 120.400 -0.008 0.000 7.008 188 K HA -0.590 3.974 4.320 0.006 -0.240 0.643 188 K C -1.257 175.434 176.600 0.152 0.000 2.544 188 K CA 0.887 57.190 56.287 0.026 0.000 1.902 188 K CB 0.155 32.581 32.500 -0.123 0.000 1.909 188 K HN 0.205 8.476 8.250 0.036 0.000 0.285 189 D N 0.020 120.494 120.400 0.122 0.000 2.808 189 D HA 0.234 4.991 4.640 0.195 0.000 0.294 189 D C -1.951 174.416 176.300 0.111 0.000 1.278 189 D CA -0.504 53.582 54.000 0.143 0.000 0.756 189 D CB 3.731 44.600 40.800 0.115 0.000 1.271 189 D HN -0.036 8.382 8.370 0.080 0.000 0.425 190 S N -1.428 114.354 115.700 0.136 0.000 2.669 190 S HA 0.264 4.867 4.470 0.093 -0.077 0.270 190 S C -1.338 173.306 174.600 0.073 0.000 1.225 190 S CA -0.257 58.013 58.200 0.116 0.000 0.991 190 S CB 1.368 64.678 63.200 0.184 0.000 0.987 190 S HN 0.264 8.676 8.310 0.170 0.000 0.552 191 c N -0.937 117.705 118.600 0.070 0.000 3.336 191 c HA 0.310 4.916 4.570 0.060 0.000 0.339 191 c C -1.178 172.975 174.090 0.105 0.000 1.468 191 c CA -1.042 55.323 56.329 0.060 0.000 1.287 191 c CB 3.300 45.817 42.510 0.012 0.000 1.682 191 c HN 0.446 9.042 8.230 0.083 -0.316 0.451 192 Q N 0.940 120.815 119.800 0.125 0.000 2.330 192 Q HA -0.165 4.299 4.340 0.207 0.000 0.279 192 Q C 0.578 176.762 176.000 0.307 0.000 1.024 192 Q CA 0.885 56.815 55.803 0.211 0.000 0.900 192 Q CB -0.241 28.634 28.738 0.228 0.000 1.221 192 Q HN 0.613 8.941 8.270 0.097 0.000 0.396 193 G N 4.197 113.201 108.800 0.340 0.000 2.278 193 G HA2 -0.387 3.813 3.960 0.401 0.000 0.210 193 G HA3 -0.387 3.934 3.960 0.602 0.000 0.210 193 G C 0.396 175.535 174.900 0.398 0.000 1.000 193 G CA 0.817 46.187 45.100 0.451 0.000 0.635 193 G HN 0.817 9.282 8.290 0.292 0.000 0.495 194 D N 1.480 122.045 120.400 0.276 0.000 2.333 194 D HA 0.102 4.893 4.640 0.251 0.000 0.208 194 D C 0.121 176.537 176.300 0.195 0.000 0.984 194 D CA 0.902 55.035 54.000 0.221 0.000 0.873 194 D CB 0.446 41.338 40.800 0.154 0.000 0.935 194 D HN 0.004 8.424 8.370 0.240 0.094 0.521 195 S N -0.627 115.197 115.700 0.207 0.000 2.643 195 S HA -0.583 4.151 4.470 0.233 -0.124 0.310 195 S C 1.171 175.803 174.600 0.055 0.000 1.253 195 S CA 2.724 61.041 58.200 0.195 0.000 1.047 195 S CB 0.131 63.527 63.200 0.327 0.000 0.767 195 S HN -0.344 8.067 8.310 0.233 0.039 0.498 196 G N 4.269 113.079 108.800 0.017 0.000 2.234 196 G HA2 -0.471 3.527 3.960 -0.043 0.000 0.260 196 G HA3 -0.471 3.560 3.960 -0.079 -0.118 0.260 196 G C -0.188 174.748 174.900 0.059 0.000 0.987 196 G CA 0.291 45.379 45.100 -0.021 0.000 0.625 196 G HN 0.816 9.149 8.290 0.072 0.000 0.532 197 G N 1.004 109.867 108.800 0.106 0.000 2.634 197 G HA2 0.274 4.313 3.960 0.132 0.000 0.255 197 G HA3 0.274 4.312 3.960 0.131 0.000 0.255 197 G C -2.554 172.429 174.900 0.139 0.000 1.205 197 G CA -1.853 43.325 45.100 0.130 0.000 0.884 197 G HN -0.243 8.028 8.290 0.117 0.089 0.549 198 P HA 0.346 4.975 4.420 0.124 -0.135 0.281 198 P C -1.508 175.854 177.300 0.103 0.000 1.249 198 P CA -0.838 62.348 63.100 0.144 0.000 0.810 198 P CB 1.590 33.423 31.700 0.223 0.000 1.008 199 V N 1.566 121.519 119.914 0.065 0.000 2.419 199 V HA 0.325 4.615 4.120 -0.023 -0.184 0.287 199 V C -1.298 174.804 176.094 0.013 0.000 1.017 199 V CA -0.438 61.862 62.300 0.000 0.000 0.844 199 V CB 1.846 33.639 31.823 -0.049 0.000 1.011 199 V HN -0.295 7.939 8.190 0.074 0.000 0.429 200 V N 7.922 127.834 119.914 -0.003 0.000 2.459 200 V HA 0.670 4.944 4.120 -0.072 -0.197 0.295 200 V C -1.282 174.792 176.094 -0.033 0.000 1.029 200 V CA -1.328 60.942 62.300 -0.049 0.000 0.874 200 V CB 2.794 34.560 31.823 -0.095 0.000 0.985 200 V HN 0.625 8.827 8.190 0.020 0.000 0.438 201 c N 6.463 125.031 118.600 -0.052 0.000 2.431 201 c HA 0.600 5.148 4.570 -0.038 0.000 0.321 201 c C 0.580 174.640 174.090 -0.051 0.000 1.202 201 c CA -1.586 54.711 56.329 -0.054 0.000 1.398 201 c CB 1.948 44.406 42.510 -0.087 0.000 2.047 201 c HN 0.672 8.864 8.230 -0.063 0.000 0.465 202 S N 5.342 121.020 115.700 -0.037 0.000 3.549 202 S HA -0.387 4.071 4.470 -0.021 0.000 0.366 202 S C 0.101 174.681 174.600 -0.033 0.000 1.012 202 S CA 1.291 59.472 58.200 -0.031 0.000 1.141 202 S CB -0.864 62.313 63.200 -0.037 0.000 0.910 202 S HN 1.226 9.519 8.310 -0.028 0.000 0.471 203 G N -5.393 103.386 108.800 -0.035 0.000 2.162 203 G HA2 -0.368 3.566 3.960 -0.042 0.000 0.260 203 G HA3 -0.368 3.574 3.960 -0.030 0.000 0.260 203 G C -0.752 174.102 174.900 -0.076 0.000 0.976 203 G CA 0.295 45.368 45.100 -0.045 0.000 0.655 203 G HN 0.391 8.643 8.290 -0.029 0.021 0.533 210 Q N 1.248 121.072 119.800 0.040 0.000 2.378 210 Q HA 0.247 4.637 4.340 0.083 0.000 0.216 210 Q C -0.349 175.825 176.000 0.289 0.000 0.892 210 Q CA 0.211 56.069 55.803 0.093 0.000 0.931 210 Q CB 2.632 31.346 28.738 -0.040 0.000 1.086 210 Q HN 0.438 8.720 8.270 0.020 0.000 0.528 211 G N -3.097 105.873 108.800 0.283 0.000 2.708 211 G HA2 0.597 5.002 3.960 0.360 0.000 0.289 211 G HA3 0.597 4.807 3.960 0.417 0.000 0.289 211 G C -3.281 171.736 174.900 0.195 0.000 1.416 211 G CA -0.475 44.824 45.100 0.332 0.000 0.829 211 G HN -0.413 7.981 8.290 0.174 0.000 0.480 212 I N -1.644 119.037 120.570 0.184 0.000 2.533 212 I HA 0.537 5.010 4.170 0.158 -0.208 0.290 212 I C -0.453 175.789 176.117 0.208 0.000 1.056 212 I CA -1.358 60.038 61.300 0.160 0.000 1.057 212 I CB 4.456 42.511 38.000 0.092 0.000 1.240 212 I HN -0.359 8.029 8.210 0.162 -0.081 0.423 213 V N 7.145 127.200 119.914 0.235 0.000 2.458 213 V HA -0.207 3.983 4.120 0.116 0.000 0.287 213 V C -1.133 175.020 176.094 0.098 0.000 1.009 213 V CA 2.013 64.416 62.300 0.172 0.000 1.091 213 V CB -1.137 30.807 31.823 0.202 0.000 0.960 213 V HN 0.485 8.799 8.190 0.207 0.000 0.476 214 S N 7.570 123.237 115.700 -0.055 0.000 2.942 214 S HA 0.463 5.249 4.470 0.382 -0.086 0.220 214 S C -1.223 173.471 174.600 0.157 0.000 0.945 214 S CA 1.105 59.397 58.200 0.153 0.000 0.851 214 S CB 1.985 65.252 63.200 0.111 0.000 0.820 214 S HN -0.163 7.924 8.310 -0.373 0.000 0.624 215 W N -4.367 116.780 121.300 -0.255 0.000 2.940 215 W HA 0.279 4.813 4.660 -0.210 0.000 0.394 215 W C -2.819 173.527 176.519 -0.290 0.000 1.155 215 W CA -0.708 56.483 57.345 -0.257 0.000 1.165 215 W CB 1.157 30.465 29.460 -0.254 0.000 1.492 215 W HN -0.308 7.604 8.180 -0.447 0.000 0.593 216 G N -2.607 106.240 108.800 0.078 0.000 2.428 216 G HA2 0.221 3.896 3.960 -0.475 0.000 0.304 216 G HA3 0.221 4.115 3.960 -0.110 0.000 0.304 216 G C -2.244 172.784 174.900 0.214 0.000 1.303 216 G CA 0.190 45.233 45.100 -0.095 0.000 0.825 216 G HN -0.016 8.491 8.290 0.362 0.000 0.484 220 c N 2.016 120.650 118.600 0.056 0.000 3.370 220 c HA 0.286 5.027 4.570 0.057 -0.137 0.190 220 c C -1.543 172.576 174.090 0.047 0.000 1.647 220 c CA -0.703 55.656 56.329 0.050 0.000 1.277 220 c CB -1.215 41.315 42.510 0.034 0.000 2.037 220 c HN 0.299 8.559 8.230 0.050 0.000 0.537 221 Q N -1.790 118.040 119.800 0.049 0.000 2.962 221 Q HA 0.113 4.471 4.340 0.030 0.000 0.270 221 Q C -2.200 173.820 176.000 0.033 0.000 0.949 221 Q CA -0.496 55.328 55.803 0.036 0.000 0.829 221 Q CB 2.422 31.181 28.738 0.034 0.000 1.869 221 Q HN 0.191 8.495 8.270 0.058 0.000 0.494 222 K N 1.466 121.878 120.400 0.020 0.000 2.298 222 K HA -0.230 4.243 4.320 0.031 -0.134 0.280 222 K C 0.246 176.842 176.600 -0.008 0.000 1.032 222 K CA 1.369 57.666 56.287 0.016 0.000 0.958 222 K CB 0.444 32.952 32.500 0.012 0.000 0.978 222 K HN 0.270 8.530 8.250 0.017 0.000 0.472 223 N N 2.359 121.052 118.700 -0.012 0.000 2.753 223 N HA -0.355 4.362 4.740 -0.038 0.000 0.251 223 N C -1.369 174.067 175.510 -0.122 0.000 1.097 223 N CA 1.955 54.972 53.050 -0.054 0.000 0.786 223 N CB -0.723 37.726 38.487 -0.064 0.000 1.137 223 N HN 0.765 9.034 8.380 0.011 0.118 0.566 224 K N -1.164 119.192 120.400 -0.072 0.000 2.762 224 K HA 0.530 4.679 4.320 -0.284 0.000 0.180 224 K C -2.458 174.180 176.600 0.063 0.000 1.067 224 K CA -3.697 52.544 56.287 -0.077 0.000 0.973 224 K CB 0.466 32.961 32.500 -0.009 0.000 1.290 224 K HN -0.797 7.373 8.250 -0.017 0.069 0.604 225 P HA -0.017 4.466 4.420 0.104 0.000 0.274 225 P C -0.558 176.783 177.300 0.068 0.000 1.246 225 P CA -0.438 62.724 63.100 0.105 0.000 0.795 225 P CB 1.172 32.927 31.700 0.091 0.000 1.006 226 G N -1.652 107.154 108.800 0.010 0.000 2.539 226 G HA2 0.281 4.057 3.960 -0.307 0.000 0.258 226 G HA3 0.281 4.154 3.960 -0.254 -0.066 0.258 226 G C -1.769 172.779 174.900 -0.586 0.000 1.202 226 G CA -0.562 44.369 45.100 -0.281 0.000 0.851 226 G HN -0.308 8.050 8.290 0.113 0.000 0.556 227 V N 0.983 120.233 119.914 -1.107 0.000 2.495 227 V HA 0.597 4.403 4.120 -0.793 -0.162 0.298 227 V C -1.015 174.260 176.094 -1.364 0.000 1.031 227 V CA -0.887 60.690 62.300 -1.206 0.000 0.871 227 V CB 2.184 32.858 31.823 -1.916 0.000 0.988 227 V HN 0.620 8.156 8.190 -1.089 0.000 0.432 228 Y N 5.522 125.412 120.300 -0.683 0.000 2.468 228 Y HA 0.592 5.070 4.550 -0.386 -0.159 0.342 228 Y C 0.524 176.132 175.900 -0.486 0.000 1.021 228 Y CA -2.273 55.435 58.100 -0.654 0.000 1.079 228 Y CB 3.210 41.011 38.460 -1.098 0.000 1.226 228 Y HN 1.103 8.947 8.280 -0.727 0.000 0.460 229 T N 4.870 119.377 114.554 -0.078 0.000 2.901 229 T HA -0.010 4.530 4.350 0.078 -0.144 0.301 229 T C -0.645 174.166 174.700 0.186 0.000 1.012 229 T CA 1.601 63.739 62.100 0.062 0.000 1.135 229 T CB 0.577 69.479 68.868 0.056 0.000 0.936 229 T HN 0.517 8.747 8.240 -0.017 0.000 0.539 230 K N 7.717 128.312 120.400 0.326 0.000 2.184 230 K HA 0.201 5.040 4.320 0.665 -0.120 0.259 230 K C 1.117 177.967 176.600 0.417 0.000 1.119 230 K CA -0.947 55.617 56.287 0.462 0.000 0.991 230 K CB -0.336 32.401 32.500 0.395 0.000 1.522 230 K HN -0.102 8.238 8.250 0.304 0.092 0.405 231 V N 5.509 125.657 119.914 0.389 0.000 2.453 231 V HA -0.548 3.884 4.120 0.520 0.000 0.252 231 V C 1.368 177.627 176.094 0.275 0.000 1.068 231 V CA 3.872 66.392 62.300 0.366 0.000 1.070 231 V CB -0.361 31.603 31.823 0.235 0.000 0.664 231 V HN 0.208 8.631 8.190 0.388 0.000 0.461 232 c N -4.409 114.289 118.600 0.165 0.000 2.409 232 c HA -0.172 4.445 4.570 0.079 0.000 0.288 232 c C 1.283 175.392 174.090 0.032 0.000 1.395 232 c CA 1.226 57.602 56.329 0.079 0.000 1.792 232 c CB -2.107 40.422 42.510 0.032 0.000 1.847 232 c HN 0.489 8.798 8.230 0.169 0.022 0.534 233 N N 0.619 119.305 118.700 -0.023 0.000 2.422 233 N HA -0.033 4.615 4.740 -0.153 0.000 0.181 233 N C 0.248 175.529 175.510 -0.380 0.000 1.080 233 N CA 0.987 53.887 53.050 -0.249 0.000 0.893 233 N CB 0.139 38.346 38.487 -0.466 0.000 0.973 233 N HN -0.372 7.984 8.380 0.057 0.058 0.456 234 Y N -3.926 116.457 120.300 0.139 0.000 2.612 234 Y HA 0.163 4.876 4.550 0.271 0.000 0.250 234 Y C 0.450 176.494 175.900 0.240 0.000 1.175 234 Y CA -0.567 57.679 58.100 0.242 0.000 1.205 234 Y CB -0.177 38.466 38.460 0.305 0.000 1.201 234 Y HN -0.207 8.007 8.280 0.188 0.179 0.532 235 V N 1.129 121.180 119.914 0.228 0.000 2.343 235 V HA -0.534 3.669 4.120 0.139 0.000 0.247 235 V C 1.495 177.651 176.094 0.103 0.000 1.051 235 V CA 4.924 67.307 62.300 0.137 0.000 1.036 235 V CB -0.693 31.174 31.823 0.074 0.000 0.654 235 V HN -0.193 8.093 8.190 0.160 0.000 0.451 236 S N -0.021 115.745 115.700 0.110 0.000 2.368 236 S HA -0.321 4.166 4.470 0.029 0.000 0.225 236 S C 1.769 176.429 174.600 0.101 0.000 1.030 236 S CA 2.979 61.225 58.200 0.077 0.000 0.999 236 S CB -0.389 62.857 63.200 0.076 0.000 0.844 236 S HN -0.023 8.353 8.310 0.111 0.000 0.459 237 W N 3.876 125.210 121.300 0.057 0.000 2.358 237 W HA -0.130 4.540 4.660 0.016 0.000 0.303 237 W C 1.484 178.004 176.519 0.002 0.000 1.208 237 W CA 2.797 60.175 57.345 0.055 0.000 1.274 237 W CB 0.005 29.573 29.460 0.179 0.000 1.138 237 W HN -0.420 7.979 8.180 0.364 0.000 0.515 238 I N -0.539 119.953 120.570 -0.129 0.000 2.142 238 I HA -0.755 2.891 4.170 -0.873 0.000 0.240 238 I C 1.784 177.638 176.117 -0.438 0.000 1.078 238 I CA 4.575 65.617 61.300 -0.430 0.000 1.343 238 I CB -0.223 37.706 38.000 -0.118 0.000 1.046 238 I HN 0.336 8.673 8.210 0.212 0.000 0.405 239 K N -1.412 118.842 120.400 -0.243 0.000 2.063 239 K HA -0.487 3.682 4.320 -0.253 0.000 0.208 239 K C 2.875 179.321 176.600 -0.256 0.000 1.048 239 K CA 3.811 59.964 56.287 -0.224 0.000 0.928 239 K CB -0.326 32.104 32.500 -0.117 0.000 0.713 239 K HN -0.199 7.971 8.250 -0.133 0.000 0.442 240 Q N -1.937 117.721 119.800 -0.238 0.000 2.046 240 Q HA -0.267 3.982 4.340 -0.153 0.000 0.200 240 Q C 2.495 178.312 176.000 -0.305 0.000 0.975 240 Q CA 3.499 59.178 55.803 -0.206 0.000 0.836 240 Q CB 0.070 28.734 28.738 -0.123 0.000 0.896 240 Q HN -0.115 8.031 8.270 -0.207 0.000 0.428 241 T N 2.588 116.838 114.554 -0.507 0.000 2.737 241 T HA -0.290 3.833 4.350 -0.378 0.000 0.265 241 T C 2.471 176.809 174.700 -0.604 0.000 1.038 241 T CA 4.907 66.661 62.100 -0.576 0.000 1.144 241 T CB -0.247 68.037 68.868 -0.974 0.000 0.866 241 T HN 0.022 7.895 8.240 -0.613 0.000 0.434 242 I N -2.040 118.034 120.570 -0.826 0.000 2.394 242 I HA -0.238 2.971 4.170 -1.602 0.000 0.251 242 I C 1.305 177.168 176.117 -0.422 0.000 1.136 242 I CA 3.163 63.813 61.300 -1.083 0.000 1.425 242 I CB -0.630 36.549 38.000 -1.369 0.000 1.079 242 I HN 0.092 7.827 8.210 -0.792 0.000 0.425 243 A N -0.711 121.936 122.820 -0.290 0.000 2.119 243 A HA -0.098 4.181 4.320 -0.068 0.000 0.217 243 A C 0.611 178.156 177.584 -0.064 0.000 1.153 243 A CA 1.776 53.740 52.037 -0.121 0.000 0.692 243 A CB -0.256 18.679 19.000 -0.108 0.000 0.799 243 A HN -0.255 7.678 8.150 -0.340 0.012 0.458 244 S N -3.351 112.295 115.700 -0.089 0.000 2.557 244 S HA 0.147 4.609 4.470 -0.012 0.000 0.223 244 S C -0.802 173.814 174.600 0.026 0.000 0.969 244 S CA 0.538 58.719 58.200 -0.031 0.000 0.927 244 S CB 0.638 63.810 63.200 -0.048 0.000 0.806 244 S HN -0.503 7.551 8.310 -0.169 0.155 0.489 245 N N 0.000 118.753 118.700 0.088 0.000 1.763 245 N HA 0.000 4.831 4.740 0.151 0.000 0.220 245 N CA 0.000 53.188 53.050 0.229 0.000 0.885 245 N CB 0.000 38.691 38.487 0.340 0.000 1.341 245 N HN 0.000 8.244 8.380 0.057 0.170 0.667