NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8721 8.3549 109.7359 45.2795 0.0000 173.0002 2 K 4.2936 8.3652 119.1287 52.3255 33.5532 174.6434 3 K 4.3326 8.3162 124.3028 55.7647 35.0126 177.2104 4 S 4.5048 8.2684 117.2489 57.3450 65.8074 175.1671 5 K 3.9162 8.4644 121.6191 59.5335 31.8371 178.4446 6 A 4.0013 7.8972 120.5970 55.4485 18.3726 179.4719 7 T 3.8205 7.9220 114.3344 66.7597 68.5308 176.7506 8 K 3.9414 8.1371 121.4755 59.3329 32.1882 179.1153 9 K 4.0261 7.8737 118.5029 59.3495 31.8710 179.6256 10 R 3.9305 8.0377 118.3759 59.3183 30.0332 179.0518 11 L 3.9668 8.2223 118.7638 57.6611 41.5432 179.5235 12 A 3.9643 8.0854 120.7270 54.9715 18.2784 179.5553 13 K 3.8504 8.1344 118.1078 59.7446 32.0817 178.8287 14 L 3.9821 7.9586 118.2301 58.0061 41.7118 178.8291 15 D 4.4602 8.0783 117.9330 57.3344 41.3300 177.8064 16 N 4.4172 8.2549 117.5454 56.4599 38.7388 176.8591 17 Q 4.1465 8.2762 119.0026 58.1386 28.7866 177.0923 18 N 4.6750 7.4792 115.8026 53.3886 39.0257 174.6718 19 S 4.3973 7.4197 115.3454 58.6153 63.7855 173.2531 20 R 4.3850 7.9438 121.2826 54.4676 31.3336 175.8088 21 V 3.5329 8.0667 122.2343 61.8063 31.7307 174.0553 22 P 4.1315 0.0000 0.0000 62.8577 31.4738 176.7150 23 A 3.9815 8.8600 123.5052 55.3986 18.5491 180.0356 24 W 4.2974 8.2015 113.0110 59.7231 28.0409 178.5538 25 V 3.3283 6.8276 118.8347 65.7787 30.6735 177.9756 26 M 4.0045 7.6455 118.6234 58.2666 31.8536 178.7425 27 L 3.9951 7.8525 118.5911 57.7124 41.7425 179.2677 28 K 4.0650 8.2657 118.7871 59.3779 32.3062 178.0347 29 T 4.2457 8.0665 106.9512 60.7802 69.9335 173.9531 30 D 4.2560 8.4427 120.2428 55.7986 38.9985 170.7393 31 R 3.4898 8.0436 122.8296 55.7596 31.0666 177.3990 *35 R 3.7980 8.2975 119.6529 56.1358 29.9851 174.1010 36 N 4.5266 8.1911 121.2627 52.2997 38.5066 174.4604 37 H 4.6325 8.5109 121.9102 56.6033 28.8780 176.0933 38 K 4.5382 7.9862 119.2955 55.9456 32.6871 176.7619 39 R 4.0395 8.1787 118.9936 56.2379 29.4493 175.9958 40 R 4.5762 7.9433 123.4796 54.5718 32.0448 174.8823 41 H 4.9750 8.3039 123.1398 53.5370 32.3434 174.6399 42 W 4.2098 8.6060 123.4172 59.5920 27.7785 177.2148 43 R 3.7922 5.8400 117.7685 58.2011 29.8806 177.3015 44 R 3.8711 7.7647 116.4878 58.5300 30.2908 176.3486 45 N 4.8772 7.7508 114.0287 51.6911 40.9574 173.4227 46 D 4.4881 8.1403 118.2310 53.4808 43.3773 175.2205 47 T 4.2179 8.3794 117.3396 61.2979 70.0938 172.7180 48 D 4.6473 8.1981 121.4090 53.7837 42.8966 176.8078 49 E 4.1188 8.6673 118.4948 57.3259 29.0365 174.6379 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.35 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.37 4.29 0.00 1.80 1.73 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.43 7.81 3 K 8.32 4.33 0.00 1.86 1.80 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.41 7.81 4 S 8.27 4.50 0.00 4.07 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.46 3.92 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.90 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.92 3.82 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 8 K 8.14 3.94 0.00 1.96 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 7.87 4.03 0.00 2.03 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.75 7.81 10 R 8.04 3.93 0.00 2.04 1.98 0.00 3.36 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 11 L 8.22 3.97 0.00 1.83 1.73 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.09 3.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.13 3.85 0.00 1.85 1.99 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 14 L 7.96 3.98 0.00 1.84 1.75 0.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.08 4.46 0.00 2.82 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.25 4.42 0.00 2.83 2.80 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.28 4.15 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 18 N 7.48 4.68 0.00 2.94 2.85 0.00 0.00 7.21 8.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.42 4.40 0.00 3.93 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.94 4.38 0.00 1.74 1.78 0.00 3.22 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 21 V 8.07 3.53 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.86 0.00 0.00 22 P 0.00 4.13 0.00 1.54 2.07 0.00 3.51 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.60 0.00 23 A 8.86 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 W 8.20 4.30 0.00 3.56 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 6.83 3.33 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 -0.37 0.00 0.00 26 M 7.65 4.00 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 27 L 7.85 4.00 0.00 1.91 1.77 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.27 4.06 0.00 2.05 2.01 0.00 2.10 0.00 0.00 2.07 0.00 0.00 3.18 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.56 7.81 29 T 8.07 4.25 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 30 D 8.44 4.26 0.00 2.84 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.04 3.49 0.00 1.94 1.92 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 *35 R 8.30 3.80 0.00 1.75 1.77 0.00 3.21 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 36 N 8.19 4.53 0.00 2.61 2.70 0.00 0.00 7.28 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 H 8.51 4.63 0.00 3.16 3.31 0.00 5.89 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.99 4.54 0.00 1.85 1.77 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.37 7.81 39 R 8.18 4.04 0.00 1.79 1.91 0.00 3.16 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 40 R 7.94 4.58 0.00 1.59 2.00 0.00 3.23 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 41 H 8.30 4.97 0.00 3.12 2.97 0.00 5.93 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.61 4.21 0.00 3.49 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 5.84 3.79 0.00 0.67 1.16 0.00 2.62 0.00 0.00 2.94 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.30 0.00 44 R 7.76 3.87 0.00 1.72 1.90 0.00 3.30 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 0.00 45 N 7.75 4.88 0.00 2.95 2.76 0.00 0.00 6.74 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.14 4.49 0.00 2.58 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.38 4.22 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 48 D 8.20 4.65 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.67 4.12 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.