NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2276 0.0000 0.0000 62.6549 32.5310 176.0522 3 K 4.3266 7.8553 121.1868 54.6218 30.9396 173.6911 4 M 4.0142 9.2987 128.0042 55.8013 33.4961 175.8370 5 K 4.3949 8.3504 125.2504 55.6206 33.9697 175.3873 6 T 4.5694 7.9580 113.6236 60.4268 69.7781 174.1497 7 H 4.5833 8.6363 129.4921 55.7618 27.3348 175.1776 8 K 4.0126 8.2397 123.6041 59.5535 32.4506 176.6314 9 G 3.4522 7.9383 105.7305 46.9892 0.0000 175.1499 10 A 4.0616 7.4788 121.9518 54.5639 18.4333 179.3664 11 K 3.3302 8.0519 116.8220 59.0871 32.2404 177.3962 12 K 4.4437 8.5185 116.7595 56.6407 32.5101 177.4771 13 R 4.6533 8.2707 118.0279 53.7465 29.4084 175.1572 14 V 4.4393 7.0820 114.7707 62.4575 33.3542 171.5094 15 K 4.6388 8.6073 123.4922 54.8128 35.7926 174.6365 16 I 4.5341 8.4101 127.4152 60.3158 39.1934 175.7002 17 T 4.3702 9.0750 120.3301 60.4062 70.6861 174.2951 18 A 4.1472 8.5136 123.3390 55.6445 18.6643 179.3955 19 S 4.1906 8.2007 110.9759 62.3959 62.9217 174.3384 20 G 3.4960 7.2114 111.6144 44.9676 0.0000 173.6748 21 K 4.0111 7.7430 121.9681 56.5327 33.2586 175.8694 22 V 4.6658 8.2606 123.8797 61.5009 33.2580 174.9612 23 V 5.4052 9.9987 127.5207 60.2929 34.3600 174.1509 24 A 5.1853 8.5019 127.7828 50.2306 23.1214 174.3965 25 M 4.7384 8.4386 117.9479 54.5466 33.3084 177.1517 26 K 4.3291 8.0979 119.2124 56.8958 33.1410 177.0220 27 T 4.3413 8.3201 112.9342 60.6466 71.6694 173.7407 28 G 3.8289 8.1723 106.3281 45.8212 0.0000 174.7553 29 K 4.4278 7.6031 110.9759 57.2941 33.8853 175.6876 30 R 4.4106 7.9974 118.2585 57.5610 30.9738 176.9474 31 H 4.6896 7.8195 109.1727 55.9735 29.8686 174.4361 32 L 4.1798 8.0584 120.2253 57.2035 41.0004 176.8967 33 N 4.5631 8.0924 116.7323 52.8974 39.1547 174.8140 34 W 4.8887 8.0982 135.0000 58.7354 30.2781 174.0491 35 Q 4.1699 6.6090 114.1633 55.1823 29.4034 171.9278 36 K 4.3547 8.0352 123.4618 54.1020 35.8109 176.4821 37 S 3.8397 8.6149 117.2242 58.1080 63.1822 175.6785 38 G 3.8788 8.9624 112.2299 47.3202 0.0000 175.2614 39 K 3.8957 7.9088 121.3912 59.7847 32.1694 177.8572 40 E 3.8813 7.9123 117.1832 60.1716 29.5947 179.2138 41 I 3.7383 7.7964 118.4827 64.4802 37.0465 178.0474 42 R 3.8729 7.9245 118.9098 59.6110 30.6653 178.5631 43 Q 4.3942 8.2950 117.0673 55.7688 29.1424 176.9248 44 K 4.7721 7.6800 115.5275 55.2206 34.1979 176.4018 45 G 4.1607 7.3000 116.5416 45.5714 0.0000 175.4353 46 R 5.0947 8.0258 127.2655 54.9653 33.5114 172.5330 47 K 4.0963 7.9775 117.1797 57.3855 36.2091 174.0883 48 F 5.6475 8.6407 119.2619 56.7062 41.1673 176.0679 49 V 4.5852 8.0746 111.7942 60.2339 35.4218 174.1233 50 L 4.5979 8.0042 123.8401 54.4829 45.5548 175.0103 51 A 4.2256 9.0806 133.7565 53.6881 17.0640 181.2540 52 K 4.1400 7.7255 118.9451 58.2827 31.8434 178.5854 53 P 4.7904 0.0000 0.0000 65.7797 31.5554 178.5134 54 E 3.9462 7.5805 117.2132 60.7515 29.6750 184.0081 55 A 4.3884 7.8984 122.6815 56.0290 18.7548 180.1173 56 E 4.0910 8.3522 118.8524 61.4989 29.6782 182.3961 57 R 4.1476 8.2196 119.6397 62.0508 29.3696 183.7813 58 I 4.0747 7.4976 122.0455 64.2729 37.3239 177.8111 59 K 4.3978 7.5993 119.3054 54.8788 31.9937 181.7334 60 L 4.2630 8.1611 118.2648 57.6843 43.0426 181.2738 61 L 3.2108 7.6974 112.4504 57.5926 42.9116 175.5259 62 L 3.8274 8.1398 124.4644 56.0924 42.1910 176.6183 *63 P 4.2215 0.0000 0.0000 62.2013 31.4002 181.5519 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 P 0.00 4.23 0.00 2.19 2.12 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 3 K 7.86 4.33 0.00 1.84 1.74 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.49 7.81 4 M 9.30 4.01 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 5 K 8.35 4.39 0.00 1.79 1.76 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.42 7.81 6 T 7.96 4.57 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 7 H 8.64 4.58 0.00 3.25 3.32 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.24 4.01 0.00 1.76 1.85 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.60 7.81 9 G 7.94 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.48 4.06 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.05 3.33 0.00 1.72 2.02 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.50 7.81 12 K 8.52 4.44 0.00 1.85 1.81 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.68 7.81 13 R 8.27 4.65 0.00 1.72 1.93 0.00 3.13 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 14 V 7.08 4.44 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 1.01 0.00 0.00 15 K 8.61 4.64 0.00 1.79 1.64 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.37 7.81 16 I 8.41 4.53 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 1.47 0.98 0.92 0.00 0.00 17 T 9.07 4.37 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 18 A 8.51 4.15 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 19 S 8.20 4.19 0.00 3.86 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.21 3.50 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 0.00 0.00 0.00 21 K 7.74 4.01 0.00 1.77 1.48 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.16 1.33 7.81 22 V 8.26 4.67 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 0.78 0.00 0.00 0.94 0.00 0.00 23 V 10.00 5.41 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.15 0.00 0.00 24 A 8.50 5.19 1.24 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 0.00 0.00 0.00 25 M 8.44 4.74 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 26 K 8.10 4.33 0.00 1.69 1.74 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.72 7.81 27 T 8.32 4.34 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 1.22 0.00 0.00 28 G 8.17 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 0.00 0.00 0.00 29 K 7.60 4.43 0.00 1.69 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.44 7.81 30 R 8.00 4.41 0.00 1.87 2.00 0.00 3.47 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 31 H 7.82 4.69 0.00 3.24 3.30 0.00 5.52 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.06 4.18 0.00 1.82 1.82 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.09 4.56 0.00 2.79 2.83 0.00 0.00 6.79 7.68 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 34 W 8.10 4.89 0.00 3.30 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 6.61 4.17 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.48 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 36 K 8.04 4.35 0.00 1.65 1.77 0.00 1.90 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.34 7.81 37 S 8.61 3.84 0.00 3.95 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 38 G 8.96 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.91 3.90 0.00 1.81 1.78 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.63 1.51 7.81 40 E 7.91 3.88 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 41 I 7.80 3.74 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.01 0.90 0.00 0.00 42 R 7.92 3.87 0.00 1.95 2.13 0.00 3.24 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 43 Q 8.30 4.39 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.09 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 44 K 7.68 4.77 0.00 1.79 1.71 0.00 1.53 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.38 7.81 45 G 7.30 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.03 5.09 0.00 1.61 1.83 0.00 3.23 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 47 K 7.98 4.10 0.00 1.75 1.82 0.00 1.24 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.57 7.81 48 F 8.64 5.65 0.00 2.97 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.07 4.59 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 0.68 0.00 0.00 0.98 0.00 0.00 50 L 8.00 4.60 0.00 1.47 1.46 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 51 A 9.08 4.23 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 52 K 7.73 4.14 0.00 1.78 1.83 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.06 7.81 53 P 0.00 4.79 0.00 2.24 2.39 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.24 0.00 54 E 7.58 3.95 0.00 2.23 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 55 A 7.90 4.39 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 56 E 8.35 4.09 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 57 R 8.22 4.15 0.00 1.81 1.96 0.00 3.25 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 1.56 1.54 0.00 58 I 7.50 4.07 2.01 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 1.49 1.21 0.91 0.00 0.00 59 K 7.60 4.40 0.00 1.80 1.78 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.28 7.81 60 L 8.16 4.26 0.00 1.83 1.69 0.93 0.43 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 61 L 7.70 3.21 0.00 1.82 1.84 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.14 3.83 0.00 1.67 1.79 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 *63 P 0.00 4.22 0.00 1.83 1.86 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.