NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3203 8.4029 121.4794 56.1554 31.8936 178.3935 3 K 3.8894 8.1314 123.3140 59.3814 31.3488 179.1541 4 D 4.5272 8.1905 118.9081 57.1983 41.5931 177.6179 5 L 4.0828 7.9820 120.1428 58.5754 41.9880 178.8740 6 L 4.0048 8.1736 118.6206 57.9039 41.5349 179.1622 7 D 4.1980 8.1043 117.9859 57.0828 40.8959 178.3507 8 K 4.1468 8.0418 118.1589 58.3010 32.0676 178.1567 9 L 4.5912 7.6365 116.8760 53.6289 42.0016 176.4489 10 G 3.9342 7.9400 106.7273 46.4935 0.0000 173.5694 11 Q 4.8583 8.0768 117.2461 54.0677 32.1213 175.1591 12 H 4.8879 8.4308 117.8433 54.2696 33.0565 172.5935 13 L 4.6173 8.7002 123.0480 54.0738 43.1985 176.1132 14 V 4.2742 8.6985 122.7095 60.8400 33.7930 174.3921 15 W 5.2869 8.6456 126.4392 55.2365 32.2445 174.6625 16 R 4.6047 9.0553 121.2253 54.9368 35.3063 173.7663 *18 G 3.9799 8.3649 106.4953 46.0798 0.0000 171.7386 19 R 4.7523 8.6766 120.0914 55.6524 31.0832 175.8973 20 A 4.4573 8.3479 127.8982 51.7433 19.1688 177.0976 21 E 4.0534 8.7838 120.7777 57.0371 30.4883 176.2522 22 D 4.8699 8.7657 121.4943 54.8227 38.7116 173.2503 23 E 4.7865 7.6444 115.4063 55.3469 33.7281 174.6070 24 D 4.9578 8.4054 118.4408 53.6677 40.4694 176.4326 25 V 4.7094 7.3729 110.8016 60.6180 36.7263 174.8085 26 L 4.6821 8.8584 125.0308 54.3093 43.5837 175.4343 27 V 4.8914 8.8601 125.7579 61.0575 34.1615 174.7244 28 V 4.6822 8.7486 126.9950 61.2906 34.2752 174.1230 29 R 5.3023 9.3031 127.6190 54.4856 32.8186 175.5847 30 V 4.9651 7.8440 121.7262 59.0487 35.3333 174.4238 31 G 3.0737 7.2335 108.0501 45.6189 0.0000 172.3847 32 L 4.6166 7.4694 119.2336 53.9565 42.5351 178.3877 33 A 3.9903 8.4044 123.7506 55.3764 18.3759 180.4501 34 S 4.1541 8.0688 108.8847 60.7718 63.4473 175.2713 35 A 4.4459 8.1544 122.2946 52.3865 17.9563 178.5319 36 T 3.9580 7.8792 117.5431 67.0565 68.6391 174.5533 37 P 4.3352 0.0000 0.0000 65.4609 31.3340 178.5698 38 R 3.8831 8.1088 117.6541 59.4597 29.7168 178.4906 39 F 3.9432 8.2375 116.2260 60.6134 38.9774 177.2500 40 R 4.1995 7.5676 115.3853 58.3844 30.0531 178.0592 41 E 4.1657 7.7597 118.2649 57.7240 29.9260 176.6740 42 L 4.1722 7.4190 117.8647 53.5724 42.3607 174.9643 43 P 4.2952 0.0000 0.0000 62.3600 31.6811 176.8334 44 R 3.9249 8.5667 122.7679 57.0339 30.4472 175.6287 45 L 4.7277 8.3112 124.2734 53.8252 43.5581 175.7235 46 L 4.7745 9.0131 122.2785 52.9679 44.0587 176.2070 47 N 4.9306 8.6909 119.8696 53.6766 39.3024 174.2725 48 L 4.6266 8.1180 119.6858 53.5763 43.4800 173.8104 49 P 4.3691 0.0000 0.0000 62.5325 32.0111 177.1666 50 E 3.8670 8.9300 122.1160 59.4052 29.9587 178.0877 51 A 4.1263 8.1224 121.1287 55.3403 18.7048 178.9532 52 E 3.9426 7.9059 115.6028 56.7738 29.4374 178.8425 *54 R 4.2735 8.1671 117.6786 55.9139 32.3121 178.3018 55 R 3.9194 8.0301 116.6902 59.1564 29.9366 178.9545 56 L 3.9643 8.4597 119.0659 57.9501 41.6974 179.8350 57 V 3.5719 7.7378 117.4539 66.0969 31.3118 177.6002 58 Q 4.0021 8.0034 118.1535 59.0922 29.0072 177.4464 59 E 4.2845 8.3455 117.3511 56.5427 29.7748 177.6664 60 G 3.9050 7.8723 107.2619 45.7789 0.0000 175.0749 61 R 4.5970 7.9716 121.5238 54.1535 28.0717 175.8192 62 V 5.1798 7.3779 118.1859 60.0428 35.2698 175.9621 63 R 4.7644 9.0974 119.4772 54.4219 32.6625 174.1566 64 V 4.9923 8.4881 121.0558 61.3102 33.8309 174.3975 65 E 4.7922 9.2835 126.9697 54.2148 32.9650 174.6490 66 W 4.7120 8.9238 134.6041 56.6901 31.5885 175.1598 67 V 4.0143 8.1075 128.5151 61.0893 32.5774 174.4623 68 E 4.6360 8.4009 126.7333 53.9072 32.4347 175.5477 69 E 4.0624 8.8635 121.4151 56.8261 29.5482 176.6753 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 E 8.40 4.32 0.00 2.13 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 2.47 0.00 3 K 8.13 3.89 0.00 1.88 1.81 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.45 1.16 7.81 4 D 8.19 4.53 0.00 2.66 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 5 L 7.98 4.08 0.00 1.77 1.88 0.93 0.64 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 6 L 8.17 4.00 0.00 1.74 1.82 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.10 4.20 0.00 2.90 2.87 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 8 K 8.04 4.15 0.00 1.87 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.80 1.63 7.81 9 L 7.64 4.59 0.00 1.74 1.69 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.94 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.08 4.86 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.21 6.54 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 12 H 8.43 4.89 0.00 3.08 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.70 4.62 0.00 1.45 1.07 0.98 0.88 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 14 V 8.70 4.27 1.46 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 0.08 0.00 0.00 0.71 0.00 0.00 15 W 8.65 5.29 0.00 3.08 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 16 R 9.06 4.60 0.00 1.93 1.90 0.00 3.33 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.84 0.00 *18 G 8.36 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.68 4.75 0.00 1.91 1.81 0.00 3.11 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 20 A 8.35 4.46 1.25 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 0.00 0.00 21 E 8.78 4.05 0.00 2.18 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 22 D 8.77 4.87 0.00 2.84 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.64 4.79 0.00 2.00 1.80 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 2.25 2.25 0.00 24 D 8.41 4.96 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 7.37 4.71 2.10 0.00 0.00 0.00 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 0.97 0.00 0.00 26 L 8.86 4.68 0.00 1.76 1.64 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.86 4.89 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 0.83 0.00 0.00 0.95 0.00 0.00 28 V 8.75 4.68 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 1.32 0.00 0.00 1.03 0.00 0.00 29 R 9.30 5.30 0.00 1.97 1.75 0.00 3.18 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 30 V 7.84 4.97 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 1.05 0.00 0.00 -0.47 0.00 0.00 31 G 7.23 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.47 4.62 0.00 1.74 1.62 1.04 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.40 3.99 1.31 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 0.00 0.00 0.00 34 S 8.07 4.15 0.00 4.00 4.03 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 0.00 0.00 0.00 35 A 8.15 4.45 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.88 3.96 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 37 P 0.00 4.34 0.00 2.17 2.11 0.00 3.70 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 2.12 2.15 0.00 38 R 8.11 3.88 0.00 1.87 1.97 0.00 3.09 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 39 F 8.24 3.94 0.00 3.20 3.05 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 40 R 7.57 4.20 0.00 1.99 2.01 0.00 3.17 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 41 E 7.76 4.17 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 42 L 7.42 4.17 0.00 1.62 1.56 0.68 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.30 0.00 2.03 1.99 0.00 3.67 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 44 R 8.57 3.92 0.00 1.77 2.04 0.00 3.24 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 45 L 8.31 4.73 0.00 1.60 1.60 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.01 4.77 0.00 1.54 1.56 0.93 -0.18 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 47 N 8.69 4.93 0.00 2.61 2.76 0.00 0.00 6.76 7.85 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 48 L 8.12 4.63 0.00 1.70 1.59 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.37 0.00 2.20 2.02 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 50 E 8.93 3.87 0.00 1.92 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 2.29 2.31 0.00 51 A 8.12 4.13 1.31 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 0.00 0.00 0.00 52 E 7.91 3.94 0.00 2.01 2.05 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 2.31 2.33 0.00 *54 R 8.17 4.27 0.00 2.10 2.00 0.00 3.35 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.89 0.00 55 R 8.03 3.92 0.00 2.10 1.98 0.00 3.14 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 1.67 0.00 56 L 8.46 3.96 0.00 1.64 1.90 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.74 3.57 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.94 0.00 0.00 58 Q 8.00 4.00 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 59 E 8.35 4.28 0.00 2.10 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 2.34 2.54 0.00 60 G 7.87 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.97 4.60 0.00 1.78 1.90 0.00 3.28 0.00 0.00 3.22 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 62 V 7.38 5.18 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 0.74 0.00 0.00 0.98 0.00 0.00 63 R 9.10 4.76 0.00 1.88 2.05 0.00 2.74 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 64 V 8.49 4.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.03 0.00 0.00 65 E 9.28 4.79 0.00 1.80 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 0.00 2.22 2.34 0.00 66 W 8.92 4.71 0.00 3.45 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 8.11 4.01 0.91 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 0.16 0.00 0.00 0.14 0.00 0.00 68 E 8.40 4.64 0.00 2.00 1.85 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 2.45 2.60 0.00 69 E 8.86 4.06 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.