NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.4682 8.1576 122.0537 56.6339 33.8299 174.2406 2 T 5.0545 8.4832 115.8160 59.7688 72.1248 172.3143 3 C 5.0798 9.2754 119.5838 55.2415 45.3008 173.7909 4 E 5.2810 8.9433 123.3111 54.7117 31.2962 174.5076 5 N 5.4334 9.2438 123.0823 51.1466 43.8416 173.8529 6 L 3.5643 7.7381 119.6286 54.5820 42.1095 177.4086 7 A 4.1059 8.2597 124.6891 52.7392 18.5453 177.7698 8 D 4.4471 9.7069 120.8977 57.0239 41.1697 178.1830 9 T 4.6557 7.6650 104.8977 60.8799 69.8123 173.3007 10 F 3.8960 8.1991 124.1162 58.6394 39.8190 174.0885 11 R 4.1583 7.6765 127.9698 55.7271 31.0402 176.8824 12 G 3.8797 8.6000 113.2502 43.9547 0.0000 170.9107 13 P 4.3425 0.0000 0.0000 62.4910 31.6527 177.1137 14 C 4.7361 8.7804 121.9368 55.6421 43.3097 173.0829 15 F 4.8461 8.8345 126.4276 58.1031 40.2049 177.0957 16 T 4.7463 7.7285 110.7416 59.4766 71.9566 174.6186 17 D 4.4529 8.8427 124.6292 57.2968 40.8722 179.0797 18 G 3.7462 8.1678 106.2033 47.7804 0.0000 175.6491 19 S 4.2523 8.1740 116.5756 61.4798 62.9653 175.9138 20 C 4.2508 8.0783 121.9762 59.2694 42.6157 174.9230 21 D 4.3844 8.6860 120.0917 57.2635 40.7287 177.5934 22 D 4.3237 8.3831 118.6791 57.6788 41.1777 177.5230 23 H 4.0829 8.3267 118.4866 59.7756 29.8052 176.4756 24 C 4.3115 8.7070 118.4106 59.9659 34.1799 176.4259 25 K 4.0847 8.5025 120.3939 59.1465 31.5162 178.6335 26 N 4.5877 8.3619 114.6020 53.5568 39.5496 176.2034 27 K 4.1909 7.9962 118.9342 57.6160 33.0309 177.2612 28 E 4.3820 7.8688 114.5421 55.5925 30.3658 175.2175 29 H 4.4536 7.6604 113.9377 55.9308 26.3486 173.9853 30 L 4.6645 7.7342 119.9723 53.6373 43.8728 177.1000 31 I 4.0613 8.4920 120.2247 64.3109 37.3644 176.7207 32 K 4.5442 7.6561 118.3232 56.4275 35.3117 173.7935 33 G 4.6974 9.4503 107.7162 44.9167 0.0000 172.0795 34 R 4.8565 8.7056 116.0574 54.6506 33.1877 173.8244 35 C 4.9211 9.1466 118.6580 57.2434 41.3233 173.5600 36 R 4.4049 8.3443 121.2818 54.1779 32.2874 176.4228 37 D 4.3222 8.2771 116.8115 55.0614 39.4279 176.4256 38 D 4.7029 7.9949 118.5947 53.1709 40.2002 175.8983 39 F 3.8112 7.9057 118.2327 59.1472 37.2889 174.6611 40 R 4.9001 8.1499 116.7925 54.3934 34.6534 174.1453 41 C 4.7576 8.1520 120.9930 55.4313 46.0168 172.0569 42 W 5.0765 9.1103 126.2772 55.1127 31.7873 174.0178 43 C 5.4053 9.2238 122.2716 55.8279 43.5810 172.7239 44 T 5.3995 8.8533 119.6730 62.1216 70.4623 174.0268 45 R 4.9898 8.9637 121.5202 54.0465 33.5511 174.2144 46 N 5.0344 8.7825 118.1480 53.8749 39.3290 174.0098 47 C 4.5194 8.9686 117.4592 55.8456 42.5996 173.7509 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 K 8.16 4.47 0.00 1.86 1.75 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.45 7.81 2 T 8.48 5.05 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 3 C 9.28 5.08 0.00 2.88 2.99 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 4 E 8.94 5.28 0.00 1.97 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 2.48 2.58 0.00 5 N 9.24 5.43 0.00 2.66 2.58 0.00 0.00 6.56 6.09 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 6 L 7.74 3.56 0.00 1.07 1.15 0.59 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.26 4.11 1.17 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 0.00 0.00 8 D 9.71 4.45 0.00 2.78 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 9 T 7.66 4.66 4.27 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 1.23 0.00 0.00 10 F 8.20 3.90 0.00 2.61 2.79 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 11 R 7.68 4.16 0.00 1.64 1.53 0.00 3.25 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 12 G 8.60 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.34 0.00 1.05 1.64 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 14 C 8.78 4.74 0.00 2.65 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 15 F 8.83 4.85 0.00 3.19 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 16 T 7.73 4.75 4.33 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 1.35 0.00 0.00 17 D 8.84 4.45 0.00 2.72 2.76 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 0.00 0.00 0.00 18 G 8.17 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.17 4.25 0.00 4.33 4.30 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.08 4.25 0.00 2.68 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 21 D 8.69 4.38 0.00 3.03 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.38 4.32 0.00 2.93 3.01 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 0.00 0.00 0.00 23 H 8.33 4.08 0.00 3.58 3.68 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.71 4.31 0.00 2.99 3.20 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 25 K 8.50 4.08 0.00 1.87 1.85 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.56 1.56 7.81 26 N 8.36 4.59 0.00 2.87 2.83 0.00 0.00 7.04 7.19 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 27 K 8.00 4.19 0.00 1.55 1.73 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.50 7.81 28 E 7.87 4.38 0.00 2.06 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 2.21 2.19 0.00 29 H 7.66 4.45 0.00 3.31 3.38 0.00 5.73 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.73 4.66 0.00 1.52 1.84 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.49 4.06 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.48 0.92 0.00 0.00 32 K 7.66 4.54 0.00 1.90 1.87 0.00 1.45 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.39 7.81 33 G 9.45 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.71 4.86 0.00 1.82 1.96 0.00 2.69 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 35 C 9.15 4.92 0.00 2.83 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.34 4.40 0.00 1.67 1.51 0.00 2.75 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.23 0.00 37 D 8.28 4.32 0.00 2.70 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 38 D 7.99 4.70 0.00 2.96 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 39 F 7.91 3.81 0.00 3.25 2.97 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 0.00 0.00 0.00 40 R 8.15 4.90 0.00 2.15 1.61 0.00 3.01 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 41 C 8.15 4.76 0.00 1.44 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 42 W 9.11 5.08 0.00 3.18 3.07 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 43 C 9.22 5.41 0.00 2.88 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 44 T 8.85 5.40 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 1.27 0.00 0.00 45 R 8.96 4.99 0.00 1.82 1.98 0.00 2.79 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 46 N 8.78 5.03 0.00 2.62 2.81 0.00 0.00 6.73 7.66 0.00 0.00 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 C 8.97 4.52 0.00 2.92 2.99 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