NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3296 8.2644 123.5832 52.3465 18.8311 174.8132 3 R 4.2421 8.0709 118.6100 57.5728 32.0890 175.8554 4 K 4.1272 8.4362 118.8981 58.2537 33.4736 177.2031 5 A 4.4024 7.8034 120.0549 54.5030 19.6369 178.9027 6 L 4.2932 7.8532 116.8324 57.0619 41.5917 178.6847 7 I 4.1038 7.3850 111.3665 62.2126 38.1010 177.7053 8 E 4.0517 7.8536 120.9856 59.5239 29.4146 178.3613 9 K 3.7762 8.2629 118.3664 59.7712 32.2096 178.2149 10 A 3.6677 7.7552 119.5775 54.1989 18.2304 179.5642 11 K 4.0819 7.8896 117.3578 58.4398 32.3940 177.7496 12 R 3.9095 7.4826 118.0182 56.7723 30.1896 177.0993 13 T 4.3472 8.3067 121.1395 60.8875 68.1788 171.3333 14 P 4.9766 0.0000 0.0000 61.3408 34.4220 173.6689 15 K 2.9652 8.5854 115.4541 57.9047 30.9186 175.4576 16 F 3.8911 6.9689 118.0228 56.2595 36.3665 176.7802 17 K 3.9392 8.9145 125.5762 60.0773 32.4607 178.9749 18 V 3.7044 8.1553 111.8629 64.5950 31.7059 177.5312 19 R 4.0670 8.5031 117.7757 59.0025 30.0492 177.5343 20 A 4.0132 7.3850 118.9912 52.8439 18.7348 176.2689 21 Y 4.9719 7.7206 119.3244 54.7683 41.0866 175.3755 22 T 4.0823 8.5396 112.4463 61.6409 69.6281 173.9084 23 R 4.6229 8.1780 124.6663 54.3504 33.2333 174.1056 24 C 4.3796 8.9821 125.6162 59.6900 32.2921 173.0388 25 V 4.1053 7.5858 122.5481 64.4558 31.7270 177.2112 26 R 3.9844 7.5868 118.2895 57.4402 30.1652 176.5252 27 C 4.7332 7.5684 111.1424 56.0513 32.2605 175.0764 28 G 3.3252 9.0493 108.9409 48.7007 0.0000 174.0377 29 R 3.4622 6.9760 118.5124 54.2766 30.4662 175.9558 30 A 4.7748 8.6424 126.8726 52.0683 21.2121 176.3228 31 R 4.5161 7.7641 113.8176 55.6436 32.6282 175.9658 32 S 3.3432 8.3147 115.7709 59.6182 59.6861 172.6896 33 V 4.4936 7.3231 119.9470 61.0561 31.5057 174.4953 34 Y 4.1511 8.6881 126.6283 58.2382 38.2593 177.7237 35 R 3.9743 9.1509 124.7398 59.5865 30.3345 178.0876 36 F 4.0864 8.5805 118.1074 62.0320 39.3205 176.8457 37 F 4.6739 8.9886 115.5099 57.9301 39.0703 176.4883 38 G 4.0451 9.2702 106.3890 46.1418 0.0000 172.7937 39 L 5.0857 7.7246 117.6359 52.4135 45.8384 176.0729 40 C 4.8720 8.4168 115.9001 57.5819 30.2542 174.8897 41 R 4.1411 8.9385 118.2710 58.9931 28.7735 179.1955 42 I 3.7413 7.6100 120.5836 64.5447 37.5531 177.7448 43 C 4.1549 7.9862 116.9775 62.4188 28.0231 175.4819 44 L 3.6914 8.0449 122.3885 58.4624 41.4100 179.2250 45 R 3.8371 7.3954 118.5042 59.0971 29.7790 178.1824 46 E 3.9359 7.7896 117.6915 58.7144 29.6381 178.9660 47 L 4.1955 7.9275 118.9298 57.4485 42.0218 178.7205 48 A 3.9917 7.6781 120.5542 55.9805 18.0314 179.4926 49 H 4.2176 7.7438 113.2368 58.8563 28.8825 177.8179 50 K 4.2409 8.4737 119.0327 56.8876 31.5710 178.0175 51 G 3.9365 8.2256 107.8415 46.3892 0.0000 174.9389 52 Q 4.2198 8.1312 115.8701 56.1788 28.8083 175.8839 53 L 4.6034 7.2771 118.3804 52.0149 42.2890 174.3800 54 P 4.0434 0.0000 0.0000 64.1845 31.5386 178.2366 55 G 4.0598 8.9694 111.2655 45.8624 0.0000 173.9810 56 V 3.7852 7.4304 119.4809 62.8751 32.0981 175.3040 57 R 4.4173 8.4199 123.1776 54.9290 32.8387 173.9464 58 K 3.7870 8.6092 124.9744 56.8368 32.6604 175.0681 59 A 4.9795 8.4436 127.7765 50.7812 21.4530 175.8627 60 S 4.8542 8.1202 115.1413 56.8571 67.1797 174.5256 61 W 4.0759 8.3960 119.1086 57.5554 27.1930 174.2796 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 A 8.26 4.33 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 3 R 8.07 4.24 0.00 1.89 1.85 0.00 3.19 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 4 K 8.44 4.13 0.00 1.80 1.82 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.51 7.81 5 A 7.80 4.40 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 6 L 7.85 4.29 0.00 1.90 1.83 0.98 0.85 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 7 I 7.39 4.10 1.88 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 1.76 0.54 1.02 0.00 0.00 8 E 7.85 4.05 0.00 2.23 2.01 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 2.59 2.30 0.00 9 K 8.26 3.78 0.00 1.83 2.07 0.00 1.89 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.49 7.81 10 A 7.76 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.89 4.08 0.00 1.93 1.83 0.00 1.98 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.60 7.81 12 R 7.48 3.91 0.00 1.76 1.85 0.00 3.14 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 13 T 8.31 4.35 4.20 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 14 P 0.00 4.98 0.00 2.05 1.99 0.00 3.85 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 15 K 8.59 2.97 0.00 1.57 1.00 0.00 0.76 0.00 0.00 1.38 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.15 1.09 7.81 16 F 6.97 3.89 0.00 3.16 2.99 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 0.00 0.00 0.00 17 K 8.91 3.94 0.00 1.96 2.15 0.00 1.55 0.00 0.00 1.84 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.56 7.81 18 V 8.16 3.70 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.08 0.00 0.00 19 R 8.50 4.07 0.00 1.87 2.05 0.00 3.05 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 20 A 7.38 4.01 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 21 Y 7.72 4.97 0.00 3.00 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 22 T 8.54 4.08 4.28 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 1.24 0.00 0.00 23 R 8.18 4.62 0.00 1.71 1.70 0.00 3.67 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 24 C 8.98 4.38 0.00 2.96 3.11 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 0.00 0.00 0.00 25 V 7.59 4.11 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 0.87 0.00 0.00 1.01 0.00 0.00 26 R 7.59 3.98 0.00 1.87 1.90 0.00 3.26 0.00 0.00 3.29 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 27 C 7.57 4.73 0.00 3.10 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 28 G 9.05 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 0.00 0.00 0.00 29 R 6.98 3.46 0.00 1.79 1.80 0.00 3.11 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 30 A 8.64 4.77 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 31 R 7.76 4.52 0.00 1.77 1.81 0.00 3.32 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 32 S 8.31 3.34 0.00 4.01 3.86 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 0.00 0.00 0.00 33 V 7.32 4.49 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 0.87 0.00 0.00 0.97 0.00 0.00 34 Y 8.69 4.15 0.00 3.24 3.10 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 0.00 0.00 0.00 0.00 35 R 9.15 3.97 0.00 1.91 2.08 0.00 3.29 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 1.71 1.81 0.00 36 F 8.58 4.09 0.00 3.17 3.28 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 37 F 8.99 4.67 0.00 3.08 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 9.27 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 0.00 0.00 0.00 39 L 7.72 5.09 0.00 1.76 1.56 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.42 4.87 0.00 3.13 3.08 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 0.00 0.00 0.00 41 R 8.94 4.14 0.00 2.28 2.55 0.00 2.84 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 42 I 7.61 3.74 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 1.64 1.15 0.91 0.00 0.00 43 C 7.99 4.15 0.00 2.97 2.98 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 44 L 8.04 3.69 0.00 1.63 1.59 -0.07 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.40 3.84 0.00 1.99 1.96 0.00 3.11 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 46 E 7.79 3.94 0.00 2.07 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 2.32 2.47 0.00 47 L 7.93 4.20 0.00 1.70 1.72 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.68 3.99 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 49 H 7.74 4.22 0.00 3.03 3.37 0.00 5.86 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.47 4.24 0.00 1.83 1.88 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.65 7.81 51 G 8.23 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.13 4.22 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.31 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 53 L 7.28 4.60 0.00 1.72 1.82 0.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.04 0.00 2.18 2.04 0.00 3.72 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 55 G 8.97 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 0.00 0.00 0.00 56 V 7.43 3.79 2.28 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 0.75 0.00 0.00 1.18 0.00 0.00 57 R 8.42 4.42 0.00 1.77 1.74 0.00 3.34 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 58 K 8.61 3.79 0.00 1.76 1.77 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.43 7.81 59 A 8.44 4.98 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 60 S 8.12 4.85 0.00 3.90 3.77 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 0.00 0.00 0.00 0.00 61 W 8.40 4.08 0.00 3.30 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