NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3941 8.3349 115.2902 58.3659 63.3829 173.4857 -1 N 4.5902 8.5827 122.5107 53.0197 40.4042 175.0729 0 A 4.4589 7.8205 123.7056 52.2971 18.6843 181.0860 3 T 4.6876 7.6752 112.2562 60.9416 72.6560 174.2768 4 K 3.9057 8.3966 121.9700 59.5252 32.2487 178.6602 5 K 3.8920 8.0361 119.3939 59.6065 32.0460 178.3892 6 E 3.9608 8.1539 118.7618 59.4599 29.3784 179.3582 7 R 3.8882 8.0588 118.7237 59.5335 30.0729 178.6829 8 I 3.7628 8.2171 119.8230 64.0142 36.9823 178.2444 9 A 3.9857 8.1612 121.7521 55.2594 18.0374 179.5433 10 I 3.6653 7.7239 117.1023 64.8708 37.2853 178.3200 11 Q 4.1906 8.0548 117.4286 59.1094 28.9123 178.8800 12 R 4.4208 8.4089 119.3293 59.1322 29.8663 179.2336 13 S 4.2012 8.3425 109.1167 59.4838 62.0465 175.3413 *15 A 4.3948 7.9324 125.0186 51.9164 20.4257 179.6286 16 E 4.1959 8.3320 114.9535 59.6743 29.3978 179.4736 17 E 3.9844 8.0389 117.1470 59.1371 29.5179 179.1517 18 A 4.0026 7.9893 120.3484 55.2982 18.4792 179.5193 19 L 4.0948 8.3065 117.8267 57.7861 41.6478 179.9246 20 G 3.6567 8.3650 105.8642 47.6888 0.0000 175.5415 21 K 3.8991 8.2066 122.2699 59.2322 32.3712 178.8096 22 L 3.9316 7.9244 119.1707 57.8342 41.4107 179.7661 23 K 3.9726 8.4073 118.4176 59.1100 31.7138 179.0939 24 A 3.9127 8.1113 120.7834 55.2752 18.5615 179.2004 25 I 3.4836 7.4169 118.0908 64.6489 37.1767 178.3965 26 R 3.3405 7.2204 118.6311 59.5481 29.5698 178.3925 27 Q 4.0816 7.4563 116.1899 58.0096 28.9763 177.6143 28 L 4.3438 7.6387 118.9487 54.0121 41.8811 176.2772 29 C 4.2346 7.2823 118.1783 61.3280 28.5830 174.0965 30 G 3.8872 9.0906 111.5266 45.9075 0.0000 174.9251 31 A 4.0973 8.0086 123.6083 54.1908 18.3902 179.1579 32 E 4.1255 8.1311 112.0563 57.2912 29.3868 176.1151 33 D 4.8453 7.9059 121.6032 52.4846 41.7631 177.3416 34 S 4.1688 8.6528 119.9491 60.2703 63.4715 174.5335 35 S 4.4994 7.1281 115.9381 57.4512 64.6734 172.1016 36 D 5.1612 7.5724 118.5217 53.2505 44.3522 176.3294 37 S 4.1019 7.8389 116.5150 58.3948 66.4353 175.8925 *41 Q 4.3331 8.7395 115.9440 55.9490 30.6979 176.9239 42 E 3.9599 8.1987 117.6786 59.2417 29.7306 178.6833 43 V 3.7655 7.8763 117.8350 66.0776 31.5489 177.2986 44 E 3.9692 8.2420 118.4540 59.3580 29.5124 178.4309 45 I 3.6117 7.6363 119.5270 64.3117 37.0943 178.4158 46 W 4.0623 7.8832 119.2866 60.0578 28.8881 178.4043 47 T 3.9888 8.4664 116.1494 67.1430 67.9725 176.2652 48 N 4.3655 8.5310 118.2838 56.4235 38.5680 177.8442 49 R 3.9370 8.0735 119.5227 59.2068 30.1290 179.2086 50 I 3.8189 8.2406 120.0733 64.1845 37.1059 178.3014 51 K 4.0076 8.3516 120.7139 59.4328 31.9939 178.4764 52 E 3.9171 8.2436 119.5773 59.1866 29.5627 178.4720 53 L 4.0012 7.9495 120.3925 58.1910 42.1377 178.6062 54 E 3.6966 8.6903 119.6007 59.3200 29.5684 178.3701 55 D 4.4524 8.6755 119.3094 57.0968 40.8014 178.6630 56 W 4.4410 8.2540 130.0185 59.9121 30.5337 177.8172 57 L 3.2733 7.8894 117.7692 57.3710 41.1246 179.1225 58 W 5.0203 7.5987 115.5781 57.4770 29.4964 177.9734 59 G 3.9672 8.0405 104.9428 45.6951 0.0000 174.3612 60 E 4.4894 8.1779 118.9180 55.7472 32.1873 176.4117 61 S 3.5665 6.7584 113.0313 56.4273 63.6285 173.1467 62 P 4.2614 0.0000 0.0000 64.5956 31.0067 177.4271 63 I 4.2813 7.2872 110.0705 60.2252 37.8459 175.5524 64 A 4.2389 7.7224 129.7184 52.8791 18.1165 177.8454 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 -2 S 8.33 4.39 0.00 3.85 3.83 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 -1 N 8.58 4.59 0.00 2.83 2.84 0.00 0.00 6.94 6.46 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 A 7.82 4.46 1.00 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 3 T 7.68 4.69 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 1.21 0.00 0.00 4 K 8.40 3.91 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.50 7.81 5 K 8.04 3.89 0.00 1.86 1.79 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.53 7.81 6 E 8.15 3.96 0.00 2.26 1.99 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 0.00 2.33 2.32 0.00 7 R 8.06 3.89 0.00 1.94 2.07 0.00 3.33 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 8 I 8.22 3.76 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.58 0.93 0.00 0.00 9 A 8.16 3.99 1.39 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 10 I 7.72 3.67 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.68 0.93 0.00 0.00 11 Q 8.05 4.19 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 12 R 8.41 4.42 0.00 2.10 2.16 0.00 3.36 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 13 S 8.34 4.20 0.00 3.97 4.06 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 *15 A 7.93 4.39 1.34 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 16 E 8.33 4.20 0.00 2.29 2.12 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 2.80 2.58 0.00 17 E 8.04 3.98 0.00 2.09 2.02 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 2.36 2.54 0.00 18 A 7.99 4.00 1.36 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 19 L 8.31 4.09 0.00 1.96 1.81 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.36 3.66 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 21 K 8.21 3.90 0.00 1.88 1.99 0.00 1.50 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.51 7.81 22 L 7.92 3.93 0.00 1.93 1.79 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.41 3.97 0.00 1.91 1.85 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.58 7.81 24 A 8.11 3.91 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 25 I 7.42 3.48 1.44 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.61 -0.28 0.00 0.00 26 R 7.22 3.34 0.00 1.70 2.02 0.00 3.22 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 27 Q 7.46 4.08 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 28 L 7.64 4.34 0.00 1.60 1.63 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.28 4.23 0.00 3.06 2.95 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 30 G 9.09 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.01 4.10 1.30 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 32 E 8.13 4.13 0.00 2.09 2.08 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 2.28 2.28 0.00 33 D 7.91 4.85 0.00 2.98 2.63 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 34 S 8.65 4.17 0.00 3.98 4.00 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 35 S 7.13 4.50 0.00 4.19 3.95 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 36 D 7.57 5.16 0.00 2.70 2.62 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 37 S 7.84 4.10 0.00 3.94 3.61 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 *41 Q 8.74 4.33 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.73 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 42 E 8.20 3.96 0.00 2.14 2.02 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 2.63 2.47 0.00 43 V 7.88 3.77 2.14 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 1.06 0.00 0.00 0.99 0.00 0.00 44 E 8.24 3.97 0.00 2.10 2.11 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 2.39 2.43 0.00 45 I 7.64 3.61 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.67 0.55 0.00 0.00 46 W 7.88 4.06 0.00 3.57 3.25 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 8.47 3.99 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 1.26 0.00 0.00 48 N 8.53 4.37 0.00 2.69 2.86 0.00 0.00 7.12 7.45 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 R 8.07 3.94 0.00 1.84 1.93 0.00 3.21 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 50 I 8.24 3.82 2.04 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.86 0.99 0.00 0.00 51 K 8.35 4.01 0.00 1.94 2.00 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.51 7.81 52 E 8.24 3.92 0.00 2.19 2.16 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 2.29 2.32 0.00 53 L 7.95 4.00 0.00 1.81 1.82 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.69 3.70 0.00 2.13 1.99 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 0.00 2.52 2.33 0.00 55 D 8.68 4.45 0.00 2.89 2.78 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 56 W 8.25 4.44 0.00 3.37 3.34 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 57 L 7.89 3.27 0.00 0.78 0.37 0.52 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 58 W 7.60 5.02 0.00 3.24 3.06 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 59 G 8.04 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.18 4.49 0.00 1.71 1.94 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 2.24 2.21 0.00 61 S 6.76 3.57 0.00 2.72 2.63 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 62 P 0.00 4.26 0.00 2.03 2.15 0.00 3.41 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 63 I 7.29 4.28 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.63 0.93 0.00 0.00 64 A 7.72 4.24 1.28 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 * Residues marked with a * may have inaccurate shift predictions.