NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2863 8.3044 120.3494 54.4346 33.3730 174.0910 2 K 3.5392 8.6122 122.0791 56.4620 32.0636 174.3922 3 R 4.3654 8.4369 126.5491 55.3600 32.0017 177.4192 4 T 3.7823 8.4936 112.6085 64.2615 68.7307 173.4352 5 F 4.9094 7.8563 124.5652 56.8305 39.6995 175.2502 6 Q 4.0654 8.3022 126.9458 52.8069 30.2708 173.0286 7 P 4.1178 0.0000 0.0000 62.9358 31.8068 177.0110 8 S 4.7589 7.9383 108.8384 56.5191 62.9815 177.2647 9 V 3.6256 7.7205 130.1335 65.0259 30.9334 177.9599 10 L 3.9408 7.8347 120.1922 57.8063 42.2320 178.0979 11 K 4.1744 7.8870 118.6621 58.9986 32.3539 178.1674 12 R 3.8729 8.0140 118.0733 59.5320 30.1349 177.2930 13 N 4.5884 7.9776 115.4216 55.5216 38.9646 176.2989 14 R 4.3199 8.0907 118.5201 57.4090 30.3028 176.6075 15 S 4.7783 7.5756 112.2236 58.7490 64.1089 174.3555 16 H 4.6430 8.1020 112.9565 55.3469 33.4135 174.7052 17 G 3.9848 8.0892 107.8929 43.5745 0.0000 174.2182 18 F 4.0982 8.8819 123.2864 61.8150 39.0504 177.8077 19 R 3.6838 8.2703 115.2949 59.3474 30.2435 178.5141 20 A 4.0713 7.8321 119.8511 54.9141 18.3566 179.3508 21 R 3.7560 8.0461 116.4213 59.7245 30.3115 177.7374 22 M 4.0950 7.9829 114.2511 55.4632 33.6164 176.9402 23 A 4.5992 7.2850 121.2124 48.2208 16.4689 175.8569 24 T 4.4314 6.5354 124.0484 61.3937 70.4056 172.3218 25 K 4.2950 8.5990 129.3615 56.6563 32.0918 176.1599 26 N 4.8497 7.7972 113.8596 53.3972 40.4643 175.8544 27 G 3.8757 7.8465 103.9641 47.1041 0.0000 175.7858 28 R 3.9984 8.2552 119.8953 58.7878 29.1446 178.0588 29 Q 4.0517 8.1339 119.1909 58.3625 28.9843 178.1164 30 V 3.8272 8.9666 119.8489 65.9215 31.8237 177.1706 31 L 4.2480 7.9623 116.5926 55.9131 41.2998 178.8704 32 A 4.0324 7.5869 120.9949 55.2522 18.6349 180.0503 33 R 4.0546 7.8690 115.2115 58.4889 29.9500 179.4585 34 R 3.9544 7.6851 117.8449 59.2131 30.3842 177.9855 35 R 4.1939 7.9317 115.4259 57.1842 30.5963 177.9389 36 A 4.2485 7.8211 119.8615 53.2064 18.9039 178.0881 37 K 4.2243 7.6112 113.8445 55.2414 32.7297 176.6226 38 G 3.6978 7.8159 108.1390 41.8040 0.0000 170.0402 39 R 3.6870 8.3263 129.3339 54.5090 30.9375 175.1140 40 A 3.5212 8.4870 126.3172 56.6581 18.1687 177.7850 41 R 4.1286 8.1267 123.9979 54.3568 29.7071 177.2690 42 L 4.1767 8.3583 123.9496 56.2256 42.2552 176.5557 43 T 4.1291 8.0372 111.6128 62.7994 70.9581 173.4445 44 V 3.2672 7.7051 112.6768 62.9087 28.6867 174.0402 45 S 4.6686 7.7852 112.1465 58.0891 63.8175 174.8475 46 K 4.1806 7.8595 125.8345 56.9407 32.1129 176.0292 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 4.29 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 K 8.61 3.54 0.00 1.83 1.77 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.72 7.81 3 R 8.44 4.37 0.00 1.90 1.88 0.00 3.41 0.00 0.00 3.43 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.58 0.00 4 T 8.49 3.78 4.29 0.00 0.00 0.00 0.00 0.00 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 5 F 7.86 4.91 0.00 2.83 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 6 Q 8.30 4.07 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.23 0.00 7 P 0.00 4.12 0.00 2.02 1.70 0.00 3.47 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 8 S 7.94 4.76 0.00 3.96 3.97 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 9 V 7.72 3.63 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 0.95 0.00 0.00 10 L 7.83 3.94 0.00 1.67 1.75 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.89 4.17 0.00 1.88 1.79 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.52 7.81 12 R 8.01 3.87 0.00 1.91 2.02 0.00 3.38 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 13 N 7.98 4.59 0.00 2.90 2.88 0.00 0.00 6.76 7.53 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 14 R 8.09 4.32 0.00 2.15 1.95 0.00 3.27 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 15 S 7.58 4.78 0.00 3.93 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 16 H 8.10 4.64 0.00 3.31 3.30 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.09 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 18 F 8.88 4.10 0.00 3.04 3.13 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 19 R 8.27 3.68 0.00 1.84 2.00 0.00 3.32 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 20 A 7.83 4.07 1.30 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 0.00 0.00 21 R 8.05 3.76 0.00 1.81 1.95 0.00 3.32 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 22 M 7.98 4.10 0.00 1.23 1.21 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 23 A 7.29 4.60 1.28 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 0.00 0.00 24 T 6.54 4.43 4.20 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 1.23 0.00 0.00 25 K 8.60 4.30 0.00 1.74 1.76 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.41 7.81 26 N 7.80 4.85 0.00 2.71 2.75 0.00 0.00 6.95 7.86 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 27 G 7.85 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 28 R 8.26 4.00 0.00 1.93 2.28 0.00 2.77 0.00 0.00 3.05 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 Q 8.13 4.05 0.00 2.13 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 30 V 8.97 3.83 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 0.97 0.00 0.00 31 L 7.96 4.25 0.00 1.96 1.76 1.08 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.59 4.03 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 33 R 7.87 4.05 0.00 1.92 1.99 0.00 3.18 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 34 R 7.69 3.95 0.00 1.93 2.01 0.00 3.46 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 35 R 7.93 4.19 0.00 2.02 1.97 0.00 3.13 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 36 A 7.82 4.25 1.36 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 0.00 0.00 37 K 7.61 4.22 0.00 2.03 1.86 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.37 7.81 38 G 7.82 3.70 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 39 R 8.33 3.69 0.00 1.94 1.98 0.00 3.32 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 40 A 8.49 3.52 1.22 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 0.00 0.00 0.00 41 R 8.13 4.13 0.00 1.89 1.91 0.00 3.13 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 42 L 8.36 4.18 0.00 1.57 1.67 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.04 4.13 4.34 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 0.00 0.00 0.00 1.30 0.00 0.00 44 V 7.71 3.27 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 0.76 0.00 0.00 0.94 0.00 0.00 45 S 7.79 4.67 0.00 4.04 4.03 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 46 K 7.86 4.18 0.00 1.72 1.73 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.45 7.81