NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0850 8.0249 114.2593 60.8493 38.7800 174.7811 4 K 4.2037 8.3452 117.5973 55.8613 31.9345 172.6477 5 V 3.8260 7.3766 112.9648 61.7190 32.9766 176.0146 6 R 4.5985 8.4404 118.7284 55.0385 31.8982 174.4987 7 E 4.7563 8.5346 117.7629 55.0716 30.6426 175.5892 8 N 4.4097 9.1582 122.5424 55.5600 38.8280 175.1805 9 E 4.6097 7.6414 113.5851 52.9555 32.0603 173.7172 10 P 4.5490 0.0000 0.0000 63.5901 31.6579 175.1767 11 F 4.8733 9.1707 116.8920 56.7466 42.9826 174.6405 12 D 4.6859 8.9367 118.9031 55.3026 41.6461 177.9130 13 V 4.1572 8.0784 109.0855 60.4984 32.6960 176.2990 14 A 4.4700 7.7127 119.1377 51.9002 18.6042 177.9434 15 L 3.9078 8.6010 121.3906 55.3643 42.9943 177.0116 16 R 4.7994 8.2511 120.3498 56.9698 35.8961 177.4234 17 R 3.8987 8.1075 116.4553 59.1771 29.8611 177.5869 18 F 4.4607 8.2052 119.6041 61.3358 39.9283 177.0093 19 K 3.7653 8.1415 119.3996 58.8300 32.0546 178.0186 20 R 4.6670 7.5539 116.8537 56.0106 29.9569 177.4628 21 S 4.6950 7.5096 109.8199 59.1942 68.3911 174.8662 22 C 4.6362 7.7139 111.3008 57.8567 32.1632 174.0529 23 E 4.5283 7.6231 118.6388 55.0584 30.4094 175.3153 24 K 4.4786 8.0789 120.9241 55.4403 35.1550 175.3696 25 A 4.4132 8.4589 126.2735 51.8071 19.2302 177.8412 26 G 4.0611 8.1769 103.5930 46.1076 0.0000 174.4722 27 V 4.4056 7.9390 111.4579 60.9722 32.9875 177.1078 28 L 4.1426 7.9097 119.0888 56.6535 41.8356 176.6806 29 A 4.6665 7.6951 120.8051 52.0028 19.2426 177.9236 30 E 4.6869 7.8328 114.7369 58.4971 32.2554 176.1132 31 V 4.0118 7.7305 112.7337 61.0686 32.2821 175.6374 32 R 4.9052 7.8731 119.8172 56.1636 30.4285 173.7935 33 R 4.8507 7.9251 116.2807 55.5783 35.1478 175.8401 34 R 4.3065 8.1690 119.7218 56.2896 29.7248 175.5389 35 E 4.0382 7.6985 115.8721 54.4690 33.5794 174.6703 36 F 4.8760 7.0197 118.0171 56.5282 42.8234 174.5967 37 Y 5.0586 8.3877 116.8394 59.2583 43.3690 174.9736 38 E 4.7259 8.4225 117.2286 56.0489 30.9844 175.8699 39 K 4.7956 7.4229 116.7028 55.4858 35.9346 176.1381 40 P 4.4216 0.0000 0.0000 65.0868 32.7509 178.7525 41 T 3.9076 8.0307 109.6168 64.7195 68.7025 175.5728 42 T 4.4552 7.5648 109.1753 61.4108 68.9659 174.6361 43 E 4.5513 7.2444 119.7529 57.0769 33.4509 176.9627 44 R 3.8656 7.3146 120.1103 59.6509 30.9965 178.4558 45 K 4.4445 7.9757 114.5961 56.3275 32.3436 176.9531 46 R 4.3902 7.9690 120.7576 56.7340 31.4470 178.1390 47 A 4.0896 7.6640 120.0969 54.7439 18.6522 178.8795 48 K 4.0639 8.1913 114.3228 59.7924 32.7743 177.6654 49 A 4.6165 7.4509 121.1944 51.2507 19.1976 176.8518 50 S 4.4412 7.8977 113.3531 59.7111 67.4359 174.1981 51 A 3.6982 8.6974 122.7922 53.0548 15.0550 179.1761 52 V 4.4513 7.2945 108.0599 61.8376 35.2072 175.5950 53 K 4.1615 8.0616 125.3394 57.1727 32.5582 176.7242 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 3 I 8.02 4.08 1.82 0.00 0.00 0.74 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 0.98 0.86 0.00 0.00 4 K 8.35 4.20 0.00 1.85 1.88 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.52 7.81 5 V 7.38 3.83 2.22 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 0.65 0.00 0.00 0.51 0.00 0.00 6 R 8.44 4.60 0.00 1.99 2.05 0.00 3.04 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 7 E 8.53 4.76 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.42 0.00 8 N 9.16 4.41 0.00 2.69 2.78 0.00 0.00 7.02 7.66 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 9 E 7.64 4.61 0.00 1.73 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.47 0.00 10 P 0.00 4.55 0.00 2.14 2.10 0.00 3.55 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 1.85 1.94 0.00 11 F 9.17 4.87 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.94 4.69 0.00 2.72 2.76 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 0.00 0.00 0.00 13 V 8.08 4.16 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 0.74 0.00 0.00 0.94 0.00 0.00 14 A 7.71 4.47 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.60 3.91 0.00 1.97 1.80 0.44 0.59 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 16 R 8.25 4.80 0.00 1.84 1.87 0.00 3.19 0.00 0.00 3.47 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 17 R 8.11 3.90 0.00 1.71 1.97 0.00 3.15 0.00 0.00 3.05 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 18 F 8.21 4.46 0.00 2.84 3.04 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 0.00 0.00 0.00 0.00 19 K 8.14 3.77 0.00 2.01 2.00 0.00 1.86 0.00 0.00 1.85 0.00 0.00 3.22 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.61 7.81 20 R 7.55 4.67 0.00 2.06 1.92 0.00 3.17 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 21 S 7.51 4.69 0.00 3.95 3.82 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 0.00 0.00 0.00 22 C 7.71 4.64 0.00 2.83 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 23 E 7.62 4.53 0.00 2.07 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.00 0.00 24 K 8.08 4.48 0.00 1.63 1.59 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.41 7.81 25 A 8.46 4.41 1.26 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 0.00 0.00 0.00 26 G 8.18 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 27 V 7.94 4.41 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 0.83 0.00 0.00 0.93 0.00 0.00 28 L 7.91 4.14 0.00 1.63 1.72 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.70 4.67 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 30 E 7.83 4.69 0.00 2.10 1.90 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 2.21 2.50 0.00 31 V 7.73 4.01 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 0.78 0.00 0.00 1.00 0.00 0.00 32 R 7.87 4.91 0.00 1.91 1.98 0.00 3.01 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.49 0.00 33 R 7.93 4.85 0.00 1.91 2.12 0.00 3.64 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 34 R 8.17 4.31 0.00 1.76 1.77 0.00 2.98 0.00 0.00 3.30 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.18 0.00 35 E 7.70 4.04 0.00 1.94 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 36 F 7.02 4.88 0.00 2.85 2.77 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 37 Y 8.39 5.06 0.00 3.04 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 38 E 8.42 4.73 0.00 2.03 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 2.32 2.51 0.00 39 K 7.42 4.80 0.00 1.68 1.54 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.35 7.81 40 P 0.00 4.42 0.00 2.20 2.24 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 41 T 8.03 3.91 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 1.20 0.00 0.00 42 T 7.56 4.46 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 1.28 0.00 0.00 43 E 7.24 4.55 0.00 2.07 1.73 0.00 0.00 0.00 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 44 R 7.31 3.87 0.00 2.10 1.99 0.00 3.13 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 45 K 7.98 4.44 0.00 1.74 1.82 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.41 7.81 46 R 7.97 4.39 0.00 1.88 1.88 0.00 3.14 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 47 A 7.66 4.09 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 48 K 8.19 4.06 0.00 1.87 1.95 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.44 7.81 49 A 7.45 4.62 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 50 S 7.90 4.44 0.00 3.96 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.70 3.70 1.33 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 52 V 7.29 4.45 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 0.78 0.00 0.00 0.93 0.00 0.00 53 K 8.06 4.16 0.00 1.86 1.79 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.43 7.81