NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2961 8.2493 123.5819 50.9853 19.8111 176.5361 7 P 4.2997 0.0000 0.0000 61.2328 31.8604 174.6918 8 D 4.7793 8.8496 123.6775 51.8311 43.0019 177.4771 9 F 4.0398 8.9617 119.4054 62.4236 39.0462 177.1814 10 H 4.3987 8.1122 115.0351 58.9088 28.3200 177.4756 11 D 4.3126 8.1840 120.0465 57.1344 40.7383 178.7652 12 K 3.7578 7.6196 117.7218 59.0967 32.3784 178.3471 13 Y 4.6788 7.7777 114.6617 57.3652 38.6881 177.7536 14 G 3.9092 7.9780 108.2005 48.4100 0.0000 175.3772 15 N 4.3482 8.2110 118.6760 55.6259 38.4823 177.3538 16 A 3.9978 7.9029 121.6137 55.1613 18.6563 179.6442 17 V 3.5566 8.0109 116.9424 66.0057 31.6187 178.0271 18 L 3.9444 8.1853 119.8448 58.0451 41.9842 178.7163 19 A 4.0101 8.0933 120.8748 55.3609 18.4985 179.7303 20 S 4.4153 8.5381 112.3147 60.5465 63.2571 176.8549 21 G 3.6042 8.1632 110.0578 47.7804 0.0000 175.6921 22 A 4.0844 8.1321 123.6940 55.0439 18.3692 179.7989 23 T 3.8537 8.0048 114.2098 66.7911 68.5247 176.5427 24 F 4.2529 8.2664 122.4005 61.4448 39.4483 176.4650 25 C 4.0150 8.2966 118.1888 62.6256 31.3943 175.6828 26 V 3.6209 7.9250 119.3436 65.9024 31.1400 177.7323 27 A 4.0293 8.1705 120.6838 55.3373 18.2490 180.0926 28 V 3.5438 7.7462 117.7431 64.6273 31.3010 178.6398 29 W 3.8719 8.3346 119.7139 59.4264 28.9973 178.7084 30 V 3.6749 8.1749 118.3730 66.0146 30.8514 177.5169 31 Y 4.0118 8.1965 119.3193 60.9673 38.4949 177.5903 32 M 3.8502 8.1471 117.6912 58.6433 32.3737 177.7632 33 A 4.6652 8.3263 120.2309 54.2712 18.7231 177.9797 34 T 4.5535 7.7609 104.0978 61.3912 70.3675 174.6598 35 Q 4.4041 8.0707 119.8696 55.5548 29.4207 175.7040 36 I 4.2046 7.5563 109.9144 60.3258 37.9853 175.9516 37 G 3.8162 8.2616 107.4166 46.1620 0.0000 173.7502 38 I 3.5222 7.4298 120.0554 60.5665 37.5055 175.3308 39 E 4.2824 8.2268 126.3358 54.6535 29.1856 175.6133 40 W 4.1769 8.6998 127.1592 57.2335 30.2298 176.0842 41 N 4.1758 8.3406 116.2317 53.9545 36.6510 170.6757 42 P 4.6059 0.0000 0.0000 61.8246 33.0777 176.5538 43 S 4.2525 8.2966 113.2490 57.7612 62.8805 172.4253 44 P 4.3037 0.0000 0.0000 64.9483 31.2968 176.5008 45 V 3.6575 7.4116 118.9332 64.5910 31.3551 177.0002 46 G 4.1236 9.0571 115.5654 45.4593 0.0000 173.5745 47 R 4.4238 7.4239 113.2010 56.1951 31.4374 176.3305 48 V 4.1531 8.0144 118.0832 61.2463 32.7650 175.0527 49 T 4.3773 8.2578 123.7366 61.2278 68.6630 172.9508 50 P 4.2648 0.0000 0.0000 62.9294 31.8482 175.8422 51 K 4.6747 8.3648 123.0218 53.8986 34.8213 175.3720 52 E 4.0578 8.8438 124.2513 56.8123 29.8653 176.8689 53 W 4.6802 8.0375 118.8860 57.2512 30.5097 175.4676 54 R 3.4975 6.2644 122.3086 56.0465 29.3139 175.7040 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 6 A 8.25 4.30 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 7 P 0.00 4.30 0.00 2.19 2.04 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 8 D 8.85 4.78 0.00 2.95 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 9 F 8.96 4.04 0.00 3.20 2.95 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 0.00 0.00 0.00 0.00 10 H 8.11 4.40 0.00 3.39 3.42 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.18 4.31 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.62 3.76 0.00 0.86 0.74 0.00 1.39 0.00 0.00 1.33 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.16 1.37 7.81 13 Y 7.78 4.68 0.00 2.20 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.98 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 0.00 0.00 0.00 15 N 8.21 4.35 0.00 2.74 2.89 0.00 0.00 6.88 7.20 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 16 A 7.90 4.00 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 17 V 8.01 3.56 2.31 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 1.08 0.00 0.00 1.09 0.00 0.00 18 L 8.19 3.94 0.00 1.84 1.82 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.09 4.01 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 20 S 8.54 4.42 0.00 4.08 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.16 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.13 4.08 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 23 T 8.00 3.85 4.38 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 1.28 0.00 0.00 24 F 8.27 4.25 0.00 3.19 3.37 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 25 C 8.30 4.01 0.00 3.31 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 26 V 7.92 3.62 2.20 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 0.99 0.00 0.00 0.94 0.00 0.00 27 A 8.17 4.03 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 28 V 7.75 3.54 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.71 0.00 0.00 29 W 8.33 3.87 0.00 3.53 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.17 3.67 2.24 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 1.05 0.00 0.00 1.01 0.00 0.00 31 Y 8.20 4.01 0.00 3.11 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 32 M 8.15 3.85 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 33 A 8.33 4.67 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 4.55 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 1.24 0.00 0.00 35 Q 8.07 4.40 0.00 0.95 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.09 0.00 0.00 0.00 0.00 0.00 2.13 2.36 0.00 36 I 7.56 4.20 1.77 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 1.32 0.54 0.65 0.00 0.00 37 G 8.26 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 0.00 0.00 0.00 38 I 7.43 3.52 1.59 0.00 0.00 0.63 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 0.39 -0.27 0.00 0.00 39 E 8.23 4.28 0.00 1.82 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 2.20 2.35 0.00 40 W 8.70 4.18 0.00 3.37 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 41 N 8.34 4.18 0.00 2.84 2.86 0.00 0.00 7.21 7.24 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 42 P 0.00 4.61 0.00 2.24 2.10 0.00 3.91 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 43 S 8.30 4.25 0.00 3.86 3.81 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 44 P 0.00 4.30 0.00 2.22 2.08 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 45 V 7.41 3.66 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 0.93 0.00 0.00 0.93 0.00 0.00 46 G 9.06 4.12 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 0.00 0.00 0.00 47 R 7.42 4.42 0.00 1.94 2.02 0.00 3.07 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 48 V 8.01 4.15 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 0.82 0.00 0.00 0.94 0.00 0.00 49 T 8.26 4.38 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 1.23 0.00 0.00 50 P 0.00 4.26 0.00 2.08 2.07 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 51 K 8.36 4.67 0.00 1.71 1.70 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.44 7.81 52 E 8.84 4.06 0.00 1.97 1.79 0.00 0.00 0.00 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 2.22 0.00 53 W 8.04 4.68 0.00 3.55 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 54 R 6.26 3.50 0.00 0.67 1.13 0.00 3.18 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.94 0.00