NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3757 8.3044 120.3282 56.3430 33.1001 174.1505 2 L 4.1526 8.7197 126.6620 55.3605 41.4542 173.3712 3 E 3.8925 7.9928 117.4326 58.3106 30.5626 175.7494 4 P 4.6868 0.0000 0.0000 62.8767 32.4455 175.2879 5 F 4.5861 7.8553 118.9024 60.0876 40.9607 176.5818 6 Q 3.4346 8.0271 118.8309 59.2187 28.9388 178.4543 7 I 3.8305 7.6912 118.5587 62.8794 38.0161 177.3494 8 L 3.9089 8.3726 122.4924 57.9959 41.8490 178.5706 9 S 3.9741 7.5048 113.0372 61.6886 63.1286 176.4404 10 I 3.8398 7.4713 121.6287 64.5168 36.9212 178.3383 11 S 4.1500 7.8024 115.5321 62.1739 62.7677 177.2849 12 S 4.1207 8.2449 117.4144 61.4867 62.6115 176.4257 13 F 4.0072 8.2052 123.2702 61.5389 39.1815 177.1738 14 I 3.7017 7.9341 118.7457 64.3682 36.9255 178.0512 15 L 3.9524 7.7037 120.6507 58.0106 41.8537 178.8217 16 S 4.0293 8.3892 115.4182 61.9161 62.9662 176.8455 17 A 3.9048 7.4159 122.4580 54.7319 17.9839 179.4500 18 L 3.8866 7.6234 118.4843 58.7775 42.1989 178.7900 19 H 4.2611 8.8394 118.5138 58.9567 29.7033 176.6957 20 F 3.9560 8.5816 123.0805 61.5690 39.1823 177.3729 21 I 3.7118 7.9010 118.4454 64.3663 37.1590 178.3060 22 A 4.0907 8.2320 121.4143 54.4773 18.0568 179.5625 23 W 4.0966 8.2408 127.5081 60.9218 30.8772 178.5151 24 T 3.8561 7.5402 115.2656 66.5252 67.6597 176.6500 25 I 3.7953 7.8386 122.0729 64.2550 37.0867 178.6061 26 G 3.3273 7.6717 105.4487 47.8529 0.0000 174.9364 27 H 3.8791 8.1361 120.7166 58.9057 29.7750 177.1329 28 L 3.7795 7.6425 122.1777 58.0539 41.8992 178.1767 29 N 4.1625 8.6397 117.6209 56.6724 38.5266 176.3082 30 Q 3.8003 7.3264 119.9982 58.6450 30.3650 177.4478 31 I 4.0792 6.8089 119.6144 58.6375 36.5161 173.3028 32 K 4.2938 7.5376 126.4911 55.8387 40.3500 174.5451 33 R 4.0399 8.1516 123.8088 56.7904 31.5211 175.8190 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 M 8.30 4.38 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 2 L 8.72 4.15 0.00 1.96 1.91 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 3 E 7.99 3.89 0.00 2.02 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 2.32 0.00 4 P 0.00 4.69 0.00 2.23 2.19 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 5 F 7.86 4.59 0.00 3.13 3.16 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 6 Q 8.03 3.43 0.00 2.06 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 7 I 7.69 3.83 1.93 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 1.51 1.18 0.96 0.00 0.00 8 L 8.37 3.91 0.00 1.53 1.29 0.86 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.50 3.97 0.00 3.74 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 10 I 7.47 3.84 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.93 0.92 0.00 0.00 11 S 7.80 4.15 0.00 3.90 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 12 S 8.24 4.12 0.00 4.01 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.21 4.01 0.00 3.14 3.24 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 14 I 7.93 3.70 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.05 0.93 0.00 0.00 15 L 7.70 3.95 0.00 1.69 1.69 0.90 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.39 4.03 0.00 3.68 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.42 3.90 1.11 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 0.00 0.00 18 L 7.62 3.89 0.00 1.89 1.78 0.96 0.92 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 19 H 8.84 4.26 0.00 3.19 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.58 3.96 0.00 3.24 3.23 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 0.00 21 I 7.90 3.71 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.03 0.94 0.00 0.00 22 A 8.23 4.09 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 23 W 8.24 4.10 0.00 3.16 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 24 T 7.54 3.86 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 1.14 0.00 0.00 25 I 7.84 3.80 1.83 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 1.43 0.98 0.87 0.00 0.00 26 G 7.67 3.33 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 0.00 27 H 8.14 3.88 0.00 2.09 2.92 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.64 3.78 0.00 1.72 1.60 0.88 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.64 4.16 0.00 2.76 2.84 0.00 0.00 6.79 6.58 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 30 Q 7.33 3.80 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.17 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 31 I 6.81 4.08 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.91 0.82 0.00 0.00 32 K 7.54 4.29 0.00 1.66 1.82 0.00 1.84 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.24 1.40 7.81 33 R 8.15 4.04 0.00 1.91 1.79 0.00 3.32 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00