NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.1967 8.1749 117.3735 64.5847 69.8728 172.4892 2 T 3.2579 8.4458 126.1941 62.5661 67.8910 169.5344 3 Y 4.4925 8.5967 122.2770 57.1800 40.4408 176.2113 4 K 4.6429 7.6792 115.8335 54.2901 32.8162 176.8355 5 L 4.7165 7.2708 122.0139 53.4570 43.2509 178.7310 6 I 4.2210 7.2201 113.3271 58.8810 36.9928 174.7861 7 L 4.8692 7.6016 126.3262 53.9286 45.5817 177.4031 8 N 4.9644 8.2005 120.7496 50.0230 37.2842 176.6781 9 L 4.0447 8.1972 122.0958 59.8780 40.6500 177.5270 10 K 3.9115 8.1642 120.1425 59.3804 31.9902 177.9170 11 Q 4.1445 8.0636 118.3861 58.1948 29.2105 177.2431 12 A 4.3771 8.4105 122.5929 54.9188 18.3568 179.5274 13 K 4.0149 8.7331 117.4309 59.5403 32.9628 179.1029 14 E 4.0187 7.9139 119.8852 59.4295 29.4708 179.0756 15 E 3.9098 8.6625 119.2810 59.0939 29.5324 178.6711 16 A 3.8796 7.6027 121.0127 54.8874 18.3035 179.4793 17 I 3.6207 8.3793 119.3117 64.7575 37.1941 178.7948 18 K 3.6324 7.8110 118.9245 59.2749 31.6858 179.3021 19 E 3.8773 7.9586 118.9703 59.5040 29.4509 179.1999 20 L 3.9846 8.1930 120.5321 57.9311 41.9383 179.0076 21 V 3.7321 8.4515 118.5916 65.6866 31.4593 177.1852 22 D 4.5397 8.1558 117.7215 56.4728 41.1650 178.1329 23 A 4.3029 8.3047 119.9334 51.7986 19.7505 177.7351 24 G 3.9714 8.2497 101.4830 46.5488 0.0000 172.8036 25 I 4.3631 7.3264 121.8168 60.3935 41.0358 173.2410 26 A 4.1422 9.1418 125.3105 53.0008 17.7781 178.0502 27 E 4.0400 8.8791 121.9817 59.8866 29.4577 178.9059 28 K 3.7833 8.2682 119.4725 60.1838 31.9406 177.9981 29 Y 3.7684 8.1786 116.4458 60.8742 37.6140 178.3615 30 I 3.7441 8.2507 120.0552 63.7062 37.8996 177.8481 31 K 3.8701 8.1267 120.8756 59.2354 31.8208 178.7730 32 L 3.9711 7.4629 118.5920 57.1261 41.7007 178.9398 33 I 4.0730 7.5884 112.0205 63.4176 38.1779 177.8114 34 A 3.9819 8.4190 122.0796 54.3699 18.2342 178.3846 35 N 4.3759 8.5190 113.9093 53.4759 39.5017 176.6673 36 A 3.3420 9.3322 123.1102 54.6169 17.7885 180.3526 37 K 4.2280 10.1358 118.0238 58.8176 31.9166 176.8002 38 T 4.7043 7.4449 107.7874 58.3498 69.4498 174.1344 39 V 3.7669 8.2765 130.7032 66.1545 31.6025 178.1634 40 E 4.1067 8.3178 119.0882 58.7907 28.5816 179.5816 41 G 3.5804 7.9923 105.1641 47.8584 0.0000 175.4511 42 V 4.0257 8.6365 122.4753 65.8839 31.5343 177.8946 43 W 4.0615 8.2637 127.1198 60.2488 30.5519 178.4075 44 T 4.0404 7.9356 115.5386 66.6025 68.0155 176.9112 45 L 4.1637 9.3454 121.0960 57.6921 41.5607 179.5002 46 K 4.0837 7.7761 119.6464 59.6749 32.0167 178.6855 47 D 4.2538 7.5490 117.9510 57.0267 40.9592 178.4977 48 E 4.0096 8.6857 120.2093 59.3168 29.8967 178.5767 49 I 2.8276 8.2765 119.5194 63.4646 37.6865 177.4290 50 L 4.0892 7.8260 121.3593 58.1199 41.7563 178.7106 51 T 3.9509 7.6574 115.1444 65.9773 68.2980 175.2413 52 F 4.7344 7.4665 114.4870 56.5820 39.2227 176.6690 53 T 4.3003 8.0390 112.4289 61.5439 67.5428 175.0518 54 V 4.2894 7.4985 120.7977 61.6956 33.4507 174.9282 55 T 4.5857 8.0840 120.6547 60.7923 69.3008 173.9005 56 E 4.0637 8.2950 127.8257 57.7638 29.5921 175.9678 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 T 8.17 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 2 T 8.45 3.26 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 1.24 0.00 0.00 3 Y 8.60 4.49 0.00 2.88 2.91 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 4 K 7.68 4.64 0.00 1.74 1.66 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.42 7.81 5 L 7.27 4.72 0.00 1.54 1.50 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.22 4.22 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.55 0.80 0.00 0.00 7 L 7.60 4.87 0.00 1.58 1.55 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.20 4.96 0.00 2.83 2.92 0.00 0.00 6.04 6.36 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 9 L 8.20 4.04 0.00 1.98 2.01 0.94 0.36 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 10 K 8.16 3.91 0.00 1.86 1.89 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.53 7.81 11 Q 8.06 4.14 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 12 A 8.41 4.38 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 0.00 0.00 0.00 0.00 0.00 13 K 8.73 4.01 0.00 1.92 2.15 0.00 1.42 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.67 7.81 14 E 7.91 4.02 0.00 2.17 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 2.49 2.47 0.00 15 E 8.66 3.91 0.00 2.28 1.87 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 2.10 2.36 0.00 16 A 7.60 3.88 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.38 3.62 2.05 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 1.69 1.16 0.91 0.00 0.00 18 K 7.81 3.63 0.00 1.89 1.84 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.47 7.81 19 E 7.96 3.88 0.00 2.16 1.89 0.00 0.00 0.00 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 2.28 0.00 20 L 8.19 3.98 0.00 1.73 1.66 0.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.45 3.73 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 0.84 0.00 0.00 0.92 0.00 0.00 22 D 8.16 4.54 0.00 2.81 2.69 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 0.00 0.00 0.00 0.00 23 A 8.30 4.30 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 24 G 8.25 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 0.00 0.00 0.00 25 I 7.33 4.36 2.33 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.73 0.83 0.00 0.00 26 A 9.14 4.14 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.88 4.04 0.00 2.05 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 2.43 2.41 0.00 28 K 8.27 3.78 0.00 1.85 1.86 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.43 7.81 29 Y 8.18 3.77 0.00 3.15 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 30 I 8.25 3.74 1.95 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 1.41 1.36 0.99 0.00 0.00 31 K 8.13 3.87 0.00 1.89 1.96 0.00 1.56 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.49 7.81 32 L 7.46 3.97 0.00 1.57 1.62 0.24 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.59 4.07 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.97 0.97 0.00 0.00 34 A 8.42 3.98 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 35 N 8.52 4.38 0.00 2.66 2.99 0.00 0.00 7.17 7.52 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 36 A 9.33 3.34 1.19 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 0.00 0.00 0.00 0.00 0.00 37 K 10.14 4.23 0.00 1.88 2.09 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.34 7.81 38 T 7.44 4.70 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 39 V 8.28 3.77 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 0.92 0.00 0.00 1.01 0.00 0.00 40 E 8.32 4.11 0.00 2.05 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 2.41 2.37 0.00 41 G 7.99 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.64 4.03 2.32 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 1.23 0.00 0.00 1.01 0.00 0.00 43 W 8.26 4.06 0.00 3.53 3.19 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 0.00 0.00 0.00 44 T 7.94 4.04 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 1.27 0.00 0.00 45 L 9.35 4.16 0.00 1.81 1.83 1.06 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.78 4.08 0.00 1.72 1.78 0.00 1.40 0.00 0.00 1.49 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.29 7.81 47 D 7.55 4.25 0.00 2.79 2.68 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 0.00 0.00 0.00 0.00 48 E 8.69 4.01 0.00 2.14 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 2.26 2.28 0.00 49 I 8.28 2.83 1.35 0.00 0.00 -1.65 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 0.58 0.86 0.00 0.00 50 L 7.83 4.09 0.00 1.96 1.59 0.90 0.76 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 51 T 7.66 3.95 4.43 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 1.22 0.00 0.00 52 F 7.47 4.73 0.00 3.25 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 53 T 8.04 4.30 4.19 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 0.00 0.00 1.34 0.00 0.00 54 V 7.50 4.29 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 1.02 0.00 0.00 0.98 0.00 0.00 55 T 8.08 4.59 4.21 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 0.00 0.00 0.00 1.15 0.00 0.00 56 E 8.30 4.06 0.00 1.93 1.87 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 2.28 2.30 0.00