NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4111 8.2649 123.5827 52.1093 20.7768 177.4429 2 K 4.1528 8.3053 118.9323 54.0388 31.9999 175.9932 3 G 3.9785 8.4010 109.8019 44.5926 0.0000 173.0346 4 I 4.2461 8.0209 125.4572 59.1026 34.6033 173.9740 5 R 4.4601 7.7610 131.9752 56.3728 33.3046 173.2978 6 E 4.8076 7.5576 115.1463 54.3762 31.7113 174.7408 7 K 4.6657 7.5833 116.2440 57.4128 32.8719 175.6982 8 I 4.7856 8.0712 115.3431 59.5680 41.0642 173.4721 9 K 4.6778 8.7510 119.8498 55.0270 35.2683 175.8244 10 L 4.5605 9.1695 127.2628 53.2327 43.0944 177.2128 11 V 3.4541 8.6122 127.1354 63.5210 31.3968 176.6504 12 S 3.6940 7.8851 117.5748 57.5565 62.2475 170.0506 13 S 4.1769 7.4366 113.2910 58.2150 64.5347 174.1258 14 A 4.4110 8.0280 125.4818 49.7246 21.3021 176.2978 15 G 3.6051 8.2304 108.3918 44.9715 0.0000 170.9584 16 T 3.1628 8.5682 129.6879 64.2418 66.8093 172.4324 17 G 4.5050 9.5983 126.4181 45.3546 0.0000 171.0011 18 H 4.0194 7.5827 115.8191 56.8277 25.5993 173.3025 19 F 4.7644 7.7626 121.5520 57.1534 42.5591 172.4849 20 Y 4.2730 8.2664 115.2283 56.1570 39.5144 172.0704 21 T 3.3460 9.1852 126.7789 63.5603 69.4133 171.3652 22 T 5.0652 7.9473 115.1674 60.5957 72.5081 172.7269 23 T 4.4829 8.0889 110.6643 61.5281 72.5222 171.7956 24 K 4.9779 8.6308 120.1481 55.9225 35.3634 175.5300 25 N 4.6298 8.2207 116.9106 52.6520 43.6762 171.1223 26 K 4.5115 8.4842 126.0789 56.7814 33.4882 175.7112 27 R 4.7306 8.3527 111.7620 58.0959 36.2266 176.3779 28 T 4.0093 7.5646 114.0987 66.4067 68.7155 175.9696 29 K 4.0587 8.0995 119.5585 55.7890 32.6102 174.5773 30 P 4.0982 0.0000 0.0000 62.2924 31.7939 174.6442 31 E 4.2948 8.0593 126.2653 55.4359 31.1598 174.7871 32 K 3.9132 8.7676 112.6072 56.8487 29.7901 174.9668 33 L 4.3767 7.1243 113.3203 55.1155 42.5897 173.4619 34 E 4.8706 8.1147 119.8648 55.4820 33.9193 176.0361 35 L 5.5233 7.6357 126.9990 55.6285 44.0032 173.1516 36 K 4.5816 8.4592 125.2347 55.7336 33.1946 174.0334 37 K 4.2194 7.9377 117.3129 53.5707 35.5301 173.7355 38 F 3.0754 7.5748 128.6935 57.2763 40.4861 173.9793 39 D 4.5143 6.7958 124.3780 51.8257 42.2760 175.2612 40 P 4.0633 0.0000 0.0000 61.2537 33.4008 175.1130 41 V 3.9611 8.7367 116.5665 66.6765 31.2805 176.6432 42 V 4.2103 7.6540 115.0108 63.6635 34.8833 173.6671 43 R 4.0406 8.3771 121.3557 57.1989 26.6831 178.1680 44 Q 4.3806 8.5080 130.2567 56.4761 31.4497 174.5379 45 H 4.2265 9.1200 119.9021 55.4057 27.0298 178.2156 46 V 3.2045 9.4705 124.6451 62.1140 34.2151 177.6426 47 I 3.0003 9.4699 113.7723 61.7555 38.6149 175.0729 48 Y 4.1263 9.4291 113.9077 57.6899 35.4094 171.9530 49 K 3.9838 7.8838 116.9861 57.7436 33.7285 178.5573 50 E 3.6508 7.8744 117.9794 56.2301 28.4198 173.5373 51 A 4.2262 8.2682 120.6658 53.0418 19.8161 176.0639 52 K 3.6901 8.2811 121.6217 56.6953 28.4226 175.1847 53 I 4.5183 7.5577 121.5948 58.7851 39.8408 175.4925 54 K 4.1373 8.4304 124.3028 56.7473 32.0295 176.6493 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 A 8.26 4.41 1.24 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 0.00 0.00 0.00 2 K 8.31 4.15 0.00 1.84 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.50 7.81 3 G 8.40 3.98 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 0.00 0.00 0.00 4 I 8.02 4.25 1.87 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 1.30 0.58 0.91 0.00 0.00 5 R 7.76 4.46 0.00 1.76 1.84 0.00 3.32 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.37 0.00 6 E 7.56 4.81 0.00 2.15 1.97 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 2.23 2.26 0.00 7 K 7.58 4.67 0.00 1.89 1.92 0.00 1.44 0.00 0.00 1.62 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.44 7.81 8 I 8.07 4.79 1.87 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 1.34 0.84 0.91 0.00 0.00 9 K 8.75 4.68 0.00 1.61 1.74 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.46 7.81 10 L 9.17 4.56 0.00 1.76 1.53 0.92 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.61 3.45 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 0.70 0.00 0.00 0.68 0.00 0.00 12 S 7.89 3.69 0.00 4.41 4.02 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 0.00 0.00 0.00 13 S 7.44 4.18 0.00 3.58 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 4.41 0.07 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 0.00 0.00 0.00 0.00 0.00 15 G 8.23 3.61 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 0.00 0.00 0.00 16 T 8.57 3.16 4.22 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 1.19 0.00 0.00 17 G 9.60 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 7.58 4.02 0.00 3.38 3.44 0.00 5.69 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.76 4.76 0.00 2.96 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 20 Y 8.27 4.27 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.19 3.35 4.14 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 0.68 0.00 0.00 22 T 7.95 5.07 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 1.37 0.00 0.00 23 T 8.09 4.48 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 1.25 0.00 0.00 24 K 8.63 4.98 0.00 1.90 1.83 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.75 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.31 1.39 7.81 25 N 8.22 4.63 0.00 2.74 2.63 0.00 0.00 6.76 7.48 0.00 0.00 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 K 8.48 4.51 0.00 1.64 1.53 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.44 7.81 27 R 8.35 4.73 0.00 2.03 1.85 0.00 3.54 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 28 T 7.56 4.01 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 1.21 0.00 0.00 29 K 8.10 4.06 0.00 1.75 1.75 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.47 7.81 30 P 0.00 4.10 0.00 2.05 1.99 0.00 3.64 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 2.03 2.13 0.00 31 E 8.06 4.29 0.00 2.01 1.72 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 2.18 2.38 0.00 32 K 8.77 3.91 0.00 1.91 1.87 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.46 7.81 33 L 7.12 4.38 0.00 1.67 1.58 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.11 4.87 0.00 2.23 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 35 L 7.64 5.52 0.00 1.82 1.71 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.46 4.58 0.00 1.73 1.63 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.26 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.50 7.81 37 K 7.94 4.22 0.00 1.61 1.58 0.00 1.92 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.32 7.81 38 F 7.57 3.08 0.00 2.71 1.51 0.00 0.00 0.00 0.00 0.00 0.00 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 D 6.80 4.51 0.00 2.31 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 0.00 0.00 0.00 40 P 0.00 4.06 0.00 2.31 2.22 0.00 3.53 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.03 0.00 41 V 8.74 3.96 2.23 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 0.89 0.00 0.00 1.18 0.00 0.00 42 V 7.65 4.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.98 0.00 0.00 43 R 8.38 4.04 0.00 2.06 1.52 0.00 3.28 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 44 Q 8.51 4.38 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 45 H 9.12 4.23 0.00 3.10 2.94 0.00 5.92 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 9.47 3.20 2.41 0.00 0.00 0.00 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 0.96 0.00 0.00 47 I 9.47 3.00 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.62 0.94 0.00 0.00 48 Y 9.43 4.13 0.00 3.24 3.03 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 0.00 0.00 0.00 0.00 49 K 7.88 3.98 0.00 1.86 1.95 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.39 7.81 50 E 7.87 3.65 0.00 2.12 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 2.33 2.54 0.00 51 A 8.27 4.23 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.28 3.69 0.00 2.04 1.83 0.00 1.53 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.46 7.81 53 I 7.56 4.52 1.86 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 1.30 1.06 0.90 0.00 0.00 54 K 8.43 4.14 0.00 1.76 1.68 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.38 7.81