NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2479 8.3049 120.3555 55.2058 33.6379 171.4920 2 I 3.1615 7.8407 125.4372 59.9676 36.6870 168.3718 3 V 2.7345 8.5882 125.3609 62.0096 32.6737 173.4392 4 P 4.2508 0.0000 0.0000 61.7683 31.8119 176.2476 5 V 3.2671 8.4062 121.6219 64.6033 31.6162 175.1275 6 R 4.3906 8.3375 127.6296 55.0914 29.2699 174.6902 7 C 4.2107 7.7317 117.5867 57.3493 33.4061 174.7465 8 F 4.4061 7.6378 124.5879 60.6653 38.4178 176.8436 9 S 4.3535 7.7015 114.6328 60.6970 63.9438 175.3896 10 C 4.0720 7.7736 118.4850 56.3686 29.0605 173.5398 11 G 4.1723 8.6625 123.1409 44.6308 0.0000 173.0715 12 K 3.8301 7.5969 122.8131 56.3606 32.6213 176.1008 13 V 3.8597 8.3229 118.4130 62.1456 31.7764 176.4173 14 V 4.3445 8.2681 115.7681 60.9626 34.3172 177.1725 15 G 3.8327 8.2965 109.4765 48.6276 0.0000 175.2959 16 D 4.5003 8.1648 118.4136 55.1519 39.3251 177.7369 17 K 4.4366 7.9087 118.1705 56.6210 32.7679 178.1127 18 W 4.4911 8.2285 129.2091 60.5515 30.4685 177.1943 19 E 3.8912 8.4014 117.9791 59.8982 28.9937 179.6031 20 S 4.0494 8.0429 114.3456 61.2956 62.8660 175.8758 21 Y 4.0397 8.6763 122.8078 60.7884 38.1226 178.1171 22 L 3.6015 7.2773 119.2227 57.9467 41.5310 179.4343 23 N 4.2822 7.5830 115.7822 55.9772 38.1879 177.0270 24 L 4.3389 7.7147 120.7589 55.6281 41.6760 178.5391 25 L 4.0824 7.0841 117.7133 55.6641 42.0128 177.1625 26 Q 4.3015 7.4839 116.0800 56.3987 31.2232 176.0249 27 E 4.0211 7.9809 118.4958 58.5534 29.4935 176.8524 28 D 4.5548 7.8755 115.4353 52.0785 40.0543 173.4008 29 E 3.8276 8.0742 122.7905 56.6272 25.9469 173.1457 30 L 4.8391 7.7673 121.7741 51.7736 46.2043 176.8396 31 D 4.7141 8.2023 119.7630 52.7662 41.9870 177.3567 32 E 4.1122 8.6598 120.0189 59.6208 29.3585 179.7008 33 G 3.9873 8.1983 104.1743 48.0318 0.0000 175.1647 34 T 4.1954 7.8511 116.8394 66.0266 68.3831 176.7712 35 A 4.0005 7.8429 122.6613 55.3539 18.4666 179.7821 36 L 4.1693 8.6410 117.7245 57.7652 41.5599 180.1218 37 S 4.0859 7.9030 114.8850 61.7328 62.8013 176.4234 38 R 4.0424 7.7693 119.7710 59.2380 29.8261 177.6912 39 L 4.3470 7.4601 115.0955 54.8207 41.5916 177.6414 40 G 3.8027 8.1898 107.5950 45.8586 0.0000 174.2601 41 L 4.4284 7.7037 120.6600 53.1511 40.9086 176.2014 42 K 4.3247 8.4565 122.7447 58.4549 34.2008 178.5993 43 R 4.1565 7.7613 118.3279 55.6287 30.7725 176.9912 44 Y 4.2666 8.8710 122.2940 59.8743 37.9204 177.9625 45 C 4.0126 7.2813 115.7809 61.2987 29.3452 175.0970 46 C 4.2300 7.8277 115.3766 59.7369 29.2634 175.7442 47 R 4.2318 7.7525 121.4273 59.0877 29.8140 178.7217 48 R 4.0453 8.2317 115.6671 58.8696 29.3765 178.3212 49 M 3.9072 7.2932 119.0429 57.9556 32.1832 177.1245 50 I 4.0957 7.3573 118.4453 62.4971 38.5096 177.4852 51 L 3.9704 7.3849 120.1618 58.0933 42.0103 177.7677 52 T 4.2980 7.5860 112.4077 64.1387 68.9884 174.3903 53 H 4.3528 7.5651 122.7015 55.4219 30.4106 174.2662 54 V 4.1860 7.8990 125.8332 61.1217 33.5306 175.2990 55 D 4.5420 8.2471 127.5402 52.9846 39.9564 176.1293 56 L 4.2797 8.1793 124.8592 56.6438 42.7005 179.0092 57 I 3.9009 8.2140 118.3651 64.3675 37.5901 176.9955 58 E 4.0573 7.9348 118.3916 59.8088 29.2655 179.4909 59 K 4.2560 8.0831 115.1917 58.2522 32.0208 179.0012 60 F 4.4757 8.2188 118.4327 60.3066 38.7684 177.3967 61 L 4.2544 8.3677 118.5364 57.4092 41.5839 178.9418 62 R 3.9639 7.8027 117.3349 58.1171 30.2100 176.3953 63 Y 4.2300 6.9801 114.8252 57.8187 38.6763 175.3602 64 N 4.4659 8.8991 121.8149 56.0293 39.5580 173.2440 65 P 4.4883 0.0000 0.0000 62.8839 31.7230 175.5941 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 M 8.30 4.25 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 2 I 7.84 3.16 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.01 0.84 0.00 0.00 3 V 8.59 2.73 1.88 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 0.55 0.00 0.00 0.16 0.00 0.00 4 P 0.00 4.25 0.00 1.81 1.89 0.00 3.44 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.02 0.00 5 V 8.41 3.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.90 0.00 0.00 6 R 8.34 4.39 0.00 1.90 1.91 0.00 3.26 0.00 0.00 3.78 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 7 C 7.73 4.21 0.00 2.71 2.61 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 8 F 7.64 4.41 0.00 3.09 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 9 S 7.70 4.35 0.00 3.91 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 10 C 7.77 4.07 0.00 3.05 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.66 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.60 3.83 0.00 1.76 1.66 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.46 7.81 13 V 8.32 3.86 2.18 0.00 0.00 0.00 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 0.92 0.00 0.00 14 V 8.27 4.34 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 0.69 0.00 0.00 0.83 0.00 0.00 15 G 8.30 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 16 D 8.16 4.50 0.00 2.80 2.86 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 17 K 7.91 4.44 0.00 2.05 1.96 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.42 1.45 7.81 18 W 8.23 4.49 0.00 3.34 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 19 E 8.40 3.89 0.00 2.05 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 2.51 2.42 0.00 20 S 8.04 4.05 0.00 4.01 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 4.04 0.00 3.11 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.28 3.60 0.00 1.43 1.47 -0.26 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.58 4.28 0.00 2.97 2.80 0.00 0.00 7.04 6.62 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 24 L 7.71 4.34 0.00 1.57 1.62 0.94 0.37 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 25 L 7.08 4.08 0.00 1.44 1.47 0.56 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.48 4.30 0.00 1.87 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 27 E 7.98 4.02 0.00 1.86 2.06 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 2.28 2.35 0.00 28 D 7.88 4.55 0.00 2.90 2.83 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 29 E 8.07 3.83 0.00 2.11 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 2.17 2.27 0.00 30 L 7.77 4.84 0.00 1.66 1.48 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.20 4.71 0.00 2.87 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 32 E 8.66 4.11 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 33 G 8.20 3.99 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 0.00 0.00 0.00 34 T 7.85 4.20 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 1.22 0.00 0.00 35 A 7.84 4.00 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 36 L 8.64 4.17 0.00 1.70 1.80 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.90 4.09 0.00 4.09 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.77 4.04 0.00 1.84 1.99 0.00 3.26 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 39 L 7.46 4.35 0.00 1.97 1.75 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.19 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 0.00 0.00 0.00 41 L 7.70 4.43 0.00 1.91 1.67 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.46 4.32 0.00 1.89 1.95 0.00 1.59 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.43 7.81 43 R 7.76 4.16 0.00 1.94 2.09 0.00 2.92 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 44 Y 8.87 4.27 0.00 3.32 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 45 C 7.28 4.01 0.00 3.01 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 46 C 7.83 4.23 0.00 3.12 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 47 R 7.75 4.23 0.00 2.08 2.07 0.00 3.23 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 48 R 8.23 4.05 0.00 2.13 2.24 0.00 2.86 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 49 M 7.29 3.91 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 50 I 7.36 4.10 1.63 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.56 0.00 0.00 51 L 7.38 3.97 0.00 1.62 1.72 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.59 4.30 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 53 H 7.57 4.35 0.00 3.03 3.01 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.90 4.19 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 0.87 0.00 0.00 0.93 0.00 0.00 55 D 8.25 4.54 0.00 2.80 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 56 L 8.18 4.28 0.00 2.02 1.98 1.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.21 3.90 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.49 1.06 0.00 0.00 58 E 7.93 4.06 0.00 2.24 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 0.00 2.58 2.67 0.00 59 K 8.08 4.26 0.00 1.70 1.84 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.52 7.81 60 F 8.22 4.48 0.00 3.26 3.12 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 0.00 0.00 0.00 61 L 8.37 4.25 0.00 1.93 1.81 1.00 0.83 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 62 R 7.80 3.96 0.00 1.76 1.75 0.00 3.29 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 63 Y 6.98 4.23 0.00 3.28 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.90 4.47 0.00 2.70 2.89 0.00 0.00 7.04 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.49 0.00 2.24 2.04 0.00 3.96 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00