NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.3031 8.2493 123.5815 50.9823 19.6473 176.5841 7 P 4.3562 0.0000 0.0000 60.8325 31.9128 175.3696 8 D 4.7736 8.6950 123.2283 52.2273 44.0720 177.4268 9 F 4.0297 8.7088 119.5403 62.3624 39.2473 177.3033 10 H 4.5523 8.1612 115.2214 58.9165 28.3374 177.4774 11 D 4.3076 8.6719 120.9942 57.1664 40.4560 179.0134 12 K 3.6334 7.5518 117.6864 59.0037 32.3255 178.2851 13 Y 4.7172 7.7138 114.5182 57.2081 39.0123 177.7350 14 G 3.9936 8.0092 108.0867 48.4228 0.0000 175.2464 15 N 4.3460 8.2479 118.5945 55.7028 38.5069 177.3318 16 A 3.9830 7.9251 121.4531 55.1791 18.6669 179.5018 17 V 3.5727 8.0080 116.9575 66.0898 31.4589 177.9905 18 L 3.9343 8.1382 119.5924 58.0910 42.0286 178.7130 19 A 4.0092 8.0255 120.8274 55.4092 18.3542 179.8598 20 S 4.3342 8.5771 113.0634 61.0776 63.1725 176.9493 21 G 3.6223 8.2456 109.4604 47.8090 0.0000 175.6183 22 A 4.1015 8.2993 124.1192 55.0126 18.3647 179.9495 23 T 3.8678 8.0304 114.2743 66.6483 68.5276 176.7615 24 F 4.2740 8.6228 122.9084 61.4553 39.4448 176.4593 25 C 3.9817 8.2969 118.1945 62.7402 31.4249 175.7106 26 V 3.6452 7.8521 119.3695 65.8562 31.0694 177.8479 27 A 4.0158 8.0214 120.6871 55.3108 18.2757 180.1176 28 V 3.5752 7.7633 117.6093 64.5935 31.3001 178.6169 29 W 3.8856 8.3303 119.7927 59.4429 28.9641 178.6853 30 V 3.6578 8.1137 118.3562 65.9781 30.8686 177.4511 31 Y 4.0087 8.2109 119.2887 61.0024 38.4987 177.6117 32 M 3.8326 8.1617 117.6393 58.7633 32.3515 177.7947 33 A 4.7302 8.3582 120.1878 54.3752 18.6928 177.9786 34 T 4.5753 7.8693 104.1031 61.3819 70.1682 174.5015 35 Q 4.4167 8.1648 120.0181 55.6205 29.7270 175.7431 36 I 4.2059 7.5503 110.1085 60.3257 37.9289 175.8838 37 G 3.7913 8.2598 107.2436 46.3158 0.0000 173.7024 38 I 3.5207 7.4592 120.2333 60.4354 37.4845 175.3296 39 E 4.2333 8.2156 126.6541 54.7036 29.1193 175.6732 40 W 4.2021 8.6656 127.0535 57.2532 30.2048 176.1010 41 N 4.1008 7.9623 116.3940 53.9300 36.7315 170.7536 42 P 4.6061 0.0000 0.0000 61.7164 33.0882 176.6630 43 S 4.2138 8.3425 113.3623 57.9189 62.7256 172.5253 44 P 4.3298 0.0000 0.0000 64.6588 31.5236 176.5035 45 V 3.6311 7.3142 118.1582 64.4566 31.3530 176.4102 46 G 4.0555 9.0575 115.2580 45.5778 0.0000 173.5936 47 R 4.4369 8.1506 114.6098 56.1314 31.5175 176.1658 48 V 4.1584 7.6247 116.8413 61.2956 32.9133 174.9146 49 T 4.3822 8.2249 123.3714 61.2482 68.7224 173.0785 50 P 4.3088 0.0000 0.0000 62.6432 31.8582 175.8251 51 K 4.6499 8.3778 123.5165 53.9172 34.5531 175.4069 52 E 4.0688 8.8441 124.7421 56.7940 29.8523 176.8516 53 W 4.6679 8.0175 118.7542 57.0372 30.5247 175.4518 54 R 3.4243 6.2133 122.4176 56.0203 29.3144 175.6580 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 4.36 0.00 2.19 2.04 0.00 3.34 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 8 D 8.69 4.77 0.00 2.96 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 8.71 4.03 0.00 3.23 2.94 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 10 H 8.16 4.55 0.00 3.39 3.43 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 8.67 4.31 0.00 2.74 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.55 3.63 0.00 0.79 0.74 0.00 1.32 0.00 0.00 1.34 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.17 1.42 7.81 13 Y 7.71 4.72 0.00 2.14 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.99 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 0.00 0.00 0.00 15 N 8.25 4.35 0.00 2.74 2.90 0.00 0.00 6.87 7.39 0.00 0.00 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 7.93 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.57 2.34 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 1.09 0.00 0.00 1.17 0.00 0.00 18 L 8.14 3.93 0.00 1.85 1.84 0.95 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 19 A 8.03 4.01 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 20 S 8.58 4.33 0.00 4.07 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 8.25 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 3.87 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 8.62 4.27 0.00 3.12 3.36 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 0.00 0.00 0.00 0.00 25 C 8.30 3.98 0.00 3.25 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 3.65 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 0.98 0.00 0.00 0.95 0.00 0.00 27 A 8.02 4.02 1.43 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 0.00 0.00 0.00 28 V 7.76 3.58 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 0.35 0.00 0.00 0.74 0.00 0.00 29 W 8.33 3.89 0.00 3.54 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 8.11 3.66 2.36 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 1.05 0.00 0.00 1.00 0.00 0.00 31 Y 8.21 4.01 0.00 3.11 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 3.83 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 33 A 8.36 4.73 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.58 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 1.23 0.00 0.00 35 Q 8.16 4.42 0.00 0.95 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.14 0.00 0.00 0.00 0.00 0.00 2.14 2.42 0.00 36 I 7.55 4.21 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 1.36 0.54 0.63 0.00 0.00 37 G 8.26 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.46 3.52 1.59 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.39 -0.31 0.00 0.00 39 E 8.22 4.23 0.00 1.81 1.75 0.00 0.00 0.00 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 2.34 0.00 40 W 8.67 4.20 0.00 3.35 3.26 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 41 N 7.96 4.10 0.00 2.74 2.83 0.00 0.00 7.20 7.54 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 42 P 0.00 4.61 0.00 2.24 2.11 0.00 3.90 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 2.03 2.01 0.00 43 S 8.34 4.21 0.00 3.86 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 44 P 0.00 4.33 0.00 2.22 2.09 0.00 3.67 0.00 0.00 3.81 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 7.31 3.63 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 0.73 0.00 0.00 0.93 0.00 0.00 46 G 9.06 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 47 R 8.15 4.44 0.00 1.87 2.01 0.00 3.07 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 48 V 7.62 4.16 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 0.86 0.00 0.00 0.94 0.00 0.00 49 T 8.22 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 4.31 0.00 2.08 2.06 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 51 K 8.38 4.65 0.00 1.71 1.71 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.45 7.81 52 E 8.84 4.07 0.00 1.96 1.78 0.00 0.00 0.00 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 2.23 0.00 53 W 8.02 4.67 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 6.21 3.42 0.00 0.67 0.66 0.00 2.98 0.00 0.00 3.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.13 0.00