NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 E 4.1964 8.4444 120.2288 56.2882 31.5967 175.3717 9 Q 3.9483 7.9675 120.0565 54.4540 28.2552 173.6962 10 A 4.3077 8.2389 128.7417 51.8888 20.2480 176.7426 11 C 4.0613 8.2073 115.0257 57.5719 31.7997 174.3374 12 D 4.3655 8.2402 121.7219 57.9441 40.3350 179.8696 13 I 3.6590 7.5330 119.2300 64.6892 37.3094 178.2145 14 C 4.2071 8.0261 116.9532 62.5084 28.0566 176.1562 15 R 3.8854 8.3633 120.3959 59.3232 29.5091 178.5594 16 L 3.9313 7.8534 118.8354 57.9946 42.1283 178.4560 17 K 4.1933 8.0596 115.4682 55.3978 33.1028 176.4601 18 K 3.7930 7.7380 117.4971 57.9001 29.8747 173.7824 19 L 4.7156 7.8842 116.7764 52.4126 45.0679 176.4092 20 K 4.2283 8.3500 120.8392 55.6746 32.1405 175.6277 21 C 4.4591 8.4778 127.2898 58.7583 32.3906 173.5947 22 S 4.1967 8.5673 120.6761 59.5485 63.0588 175.3917 23 K 4.2829 8.4537 117.6909 56.1718 29.1230 175.5072 24 E 4.2437 8.0526 118.3856 55.1999 29.7491 175.7447 25 K 4.2634 8.3828 124.7085 55.1330 32.8804 175.2814 26 P 4.5271 0.0000 0.0000 64.7404 31.9807 176.6233 27 K 4.6884 7.7384 117.1256 53.3064 35.1693 176.4483 28 C 4.6153 8.8577 119.6226 57.2339 31.7903 174.0240 29 A 3.8762 8.2684 122.0871 56.0402 17.8013 180.2927 30 K 3.7022 7.8878 115.1315 59.5062 32.2230 179.4469 31 C 3.8501 7.8887 116.3557 62.6846 28.0137 175.1857 32 L 3.8121 8.0351 120.6836 58.7647 41.6520 179.1662 33 K 4.0505 7.7914 116.8456 58.6419 32.0585 178.1988 34 N 4.3424 7.5161 113.9858 51.4533 39.6702 174.3002 35 N 4.0719 7.4030 118.6495 54.5090 37.9166 173.3070 36 W 5.0096 7.3607 116.2718 54.4997 32.1407 176.2130 37 E 3.8812 8.8319 121.9038 56.7849 29.1107 175.8015 38 C 4.4992 8.6510 127.8512 58.1327 32.5844 172.3591 39 R 4.6164 8.4053 127.2104 54.7376 32.4393 173.8788 40 Y 4.4729 8.8236 124.2939 56.4512 38.8509 175.7603 41 S 4.5368 9.2577 121.3313 56.6184 64.0505 173.1647 42 P 4.4134 0.0000 0.0000 62.4334 31.6182 176.3428 43 K 4.0335 8.4919 119.7447 56.7621 32.1663 176.4262 44 T 4.4139 8.3331 119.4716 59.6745 68.4281 174.1170 45 K 3.7928 8.5865 127.4398 57.7446 32.6777 175.7813 46 R 4.7512 8.1577 119.9319 53.9410 33.4148 175.0983 47 S 4.3768 8.3397 113.1213 57.0809 63.8664 172.2873 48 P 4.2060 0.0000 0.0000 63.2676 31.2409 176.5625 49 L 4.4329 8.2687 125.7163 53.6622 40.9419 175.0505 50 T 4.6986 7.6263 116.4341 58.7886 72.1227 173.4380 51 R 3.8807 8.6332 125.8622 59.3621 30.0122 178.5295 52 A 3.9846 8.0357 120.1568 55.7529 18.2950 178.9507 53 H 4.2300 8.1690 115.1992 58.2477 29.9405 177.0438 54 L 3.9934 7.7520 122.8171 58.4366 42.0356 178.7507 55 T 4.2600 7.9699 110.5708 64.1364 68.7475 175.1228 56 E 3.9488 8.6016 123.6616 59.5569 29.5394 178.8440 57 V 3.8632 7.8982 118.5108 64.0629 31.5408 177.6022 58 E 4.2885 8.6318 117.9505 57.7875 29.6508 177.9069 59 S 4.5832 7.4268 115.0284 59.6141 63.8531 175.9609 60 R 4.0129 8.1796 121.6332 59.4380 30.2776 177.7805 61 L 4.2412 7.5094 118.6794 57.0825 42.1794 176.5803 62 E 4.1941 7.7756 127.6491 55.8212 28.6085 175.0826 63 R 4.9088 7.5448 135.0000 56.3926 31.4609 173.9969 64 L 4.3466 7.8066 121.3572 54.7452 41.9841 175.9923 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 8 E 8.44 4.20 0.00 1.98 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 2.22 2.26 0.00 9 Q 7.97 3.95 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 10 A 8.24 4.31 1.28 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 0.00 0.00 11 C 8.21 4.06 0.00 2.58 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 0.00 0.00 0.00 0.00 12 D 8.24 4.37 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.53 3.66 1.88 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.44 1.17 0.00 0.00 14 C 8.03 4.21 0.00 2.97 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 15 R 8.36 3.89 0.00 1.95 1.97 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 16 L 7.85 3.93 0.00 1.73 1.87 0.87 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.06 4.19 0.00 1.98 1.86 0.00 1.99 0.00 0.00 1.82 0.00 0.00 2.74 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.41 1.49 7.81 18 K 7.74 3.79 0.00 1.93 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.39 7.81 19 L 7.88 4.72 0.00 1.62 1.60 0.99 0.75 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 20 K 8.35 4.23 0.00 1.72 1.74 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.43 7.81 21 C 8.48 4.46 0.00 3.00 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 22 S 8.57 4.20 0.00 4.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.45 4.28 0.00 1.99 2.16 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.24 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.50 7.81 24 E 8.05 4.24 0.00 2.17 2.13 0.00 0.00 0.00 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 2.48 0.00 25 K 8.38 4.26 0.00 1.62 1.60 0.00 1.43 0.00 0.00 1.49 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.64 1.08 7.81 26 P 0.00 4.53 0.00 2.22 2.20 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 27 K 7.74 4.69 0.00 1.74 1.81 0.00 1.76 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.42 7.81 28 C 8.86 4.62 0.00 3.21 3.17 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 29 A 8.27 3.88 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 30 K 7.89 3.70 0.00 1.75 1.61 0.00 1.70 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.47 7.81 31 C 7.89 3.85 0.00 3.14 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 32 L 8.04 3.81 0.00 1.62 1.93 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.79 4.05 0.00 1.73 1.73 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.40 7.81 34 N 7.52 4.34 0.00 1.44 1.42 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 35 N 7.40 4.07 0.00 2.74 2.80 0.00 0.00 6.98 8.08 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 36 W 7.36 5.01 0.00 3.35 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 37 E 8.83 3.88 0.00 1.96 1.91 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 2.31 2.33 0.00 38 C 8.65 4.50 0.00 3.06 3.09 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 0.00 0.00 0.00 0.00 39 R 8.41 4.62 0.00 1.91 1.71 0.00 3.20 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 40 Y 8.82 4.47 0.00 2.80 2.89 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 0.00 0.00 0.00 41 S 9.26 4.54 0.00 4.04 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 42 P 0.00 4.41 0.00 2.19 2.07 0.00 3.79 0.00 0.00 3.68 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 43 K 8.49 4.03 0.00 1.78 1.82 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.45 7.81 44 T 8.33 4.41 4.25 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 1.21 0.00 0.00 45 K 8.59 3.79 0.00 1.89 1.84 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.50 7.81 46 R 8.16 4.75 0.00 1.78 1.89 0.00 3.37 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 47 S 8.34 4.38 0.00 3.96 3.87 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 48 P 0.00 4.21 0.00 2.19 2.10 0.00 3.66 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 49 L 8.27 4.43 0.00 1.61 1.65 0.93 0.90 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 50 T 7.63 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 1.29 0.00 0.00 51 R 8.63 3.88 0.00 1.96 1.92 0.00 3.30 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 52 A 8.04 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.17 4.23 0.00 3.22 3.40 0.00 5.69 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.75 3.99 0.00 1.77 1.61 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.97 4.26 4.23 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 0.00 0.00 0.00 1.28 0.00 0.00 56 E 8.60 3.95 0.00 2.21 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 0.00 2.32 2.50 0.00 57 V 7.90 3.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.90 0.00 0.00 58 E 8.63 4.29 0.00 2.17 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 0.00 2.37 2.33 0.00 59 S 7.43 4.58 0.00 4.03 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 60 R 8.18 4.01 0.00 1.91 1.95 0.00 3.32 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 61 L 7.51 4.24 0.00 1.84 1.72 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 62 E 7.78 4.19 0.00 1.91 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 2.28 2.28 0.00 63 R 7.54 4.91 0.00 2.07 1.95 0.00 3.44 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.47 0.00 64 L 7.81 4.35 0.00 1.67 1.51 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00