NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7742 8.3049 120.2847 55.3868 33.4566 174.3411 2 R 4.7262 9.1411 121.0323 53.9675 35.0233 172.5198 3 K 5.0289 9.0195 121.2751 54.6796 35.2477 174.9793 4 W 4.9785 9.6040 124.5372 54.8275 32.2074 174.2337 5 Q 5.2053 9.0703 126.1212 54.0377 31.6235 174.0746 6 C 3.5209 9.0680 127.7475 59.1707 31.9562 174.4128 7 V 3.7366 8.8430 126.7701 63.7610 31.1045 177.7896 8 V 3.8698 7.7710 121.1361 65.0299 31.7967 176.1285 9 C 4.6288 8.2051 110.5808 57.4409 31.3100 174.6345 10 G 3.9462 8.0459 107.7727 44.6031 0.0000 173.1147 11 F 4.2511 8.2979 122.7551 58.6496 40.4699 173.6997 12 I 4.8669 7.6383 126.8484 59.8895 38.5194 174.3453 13 Y 4.4921 9.4263 130.1810 56.7196 40.3177 173.4530 14 D 4.6668 7.8707 126.5845 52.4358 42.7010 176.2398 15 E 4.0640 9.1764 127.0832 59.8287 30.0900 179.5402 16 A 3.9390 8.2790 120.6573 54.8085 18.0430 179.2519 17 L 4.0016 8.0482 114.7101 54.9235 42.5750 178.4632 18 G 4.3307 7.7585 106.7314 43.8595 0.0000 173.1401 19 L 4.9030 8.0970 114.3790 51.8329 41.9293 175.5945 20 P 4.5267 0.0000 0.0000 65.0227 32.1082 177.0181 21 E 4.5568 7.8834 117.4968 56.1820 29.8128 176.8838 22 E 4.1885 8.3416 121.3369 57.8956 30.4403 176.1792 23 G 4.2643 7.9065 105.2221 43.4000 0.0000 172.6457 24 I 4.5764 8.8873 126.9976 58.6654 39.6212 173.9285 25 P 4.7593 0.0000 0.0000 62.0180 32.8172 175.9269 26 A 4.1933 7.8227 124.3981 53.3024 18.6478 178.1290 27 G 3.9889 8.8425 111.6185 45.3151 0.0000 173.5260 28 T 4.1062 7.5444 116.7680 62.9332 69.1374 174.8711 29 R 4.4380 8.4277 125.5897 55.4621 31.1272 177.3206 30 W 3.6793 9.3411 131.2933 60.5144 30.6289 178.3928 31 E 3.7612 8.0811 116.1578 58.8290 29.0296 177.1496 32 D 4.5980 7.5679 116.7579 53.8869 40.9849 175.9623 33 I 3.7698 6.5346 121.1748 58.9664 38.1444 174.1144 34 P 4.0944 0.0000 0.0000 62.7340 31.7959 177.2336 35 A 3.9072 8.4565 124.5063 55.2011 18.4218 178.5049 36 D 4.5072 7.8827 112.7987 54.0707 40.0732 176.5314 37 W 4.0888 7.6971 130.7271 57.6133 31.1242 175.2873 38 V 4.1841 6.8326 117.3464 58.6539 34.5498 174.9933 39 C 3.5443 8.1761 122.2208 59.2896 31.5480 173.2695 40 P 4.1513 0.0000 0.0000 64.4818 31.2021 176.7750 41 D 4.7252 7.5991 116.7334 54.8736 41.9557 176.7947 42 C 4.6105 7.7666 109.8759 56.7180 31.0849 174.9843 43 G 3.7854 8.1645 108.0735 45.2781 0.0000 174.0012 44 V 3.8342 7.4378 112.9545 60.5859 32.3908 176.3930 45 G 4.4129 8.2970 110.6029 44.8049 0.0000 174.5860 46 K 4.5421 8.6609 117.2200 59.1461 32.2222 179.5439 47 I 3.8987 8.0295 118.2325 63.7616 38.2382 175.6874 48 D 4.9376 8.3891 119.6518 54.2058 40.7103 175.1752 49 F 5.4818 8.2310 118.0761 55.6846 41.5980 174.9358 50 E 4.8761 9.0240 119.4119 54.5655 33.1523 174.3772 51 M 3.4526 7.9665 122.4889 55.2646 32.0496 175.3077 52 I 4.0599 8.3320 120.2759 62.2816 39.1100 175.6088 53 E 4.0946 7.5289 123.6984 56.1861 30.3688 174.7829 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 4.77 0.00 1.93 2.08 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 2 R 9.14 4.73 0.00 2.02 1.56 0.00 3.04 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.73 0.00 3 K 9.02 5.03 0.00 1.61 1.66 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.40 7.81 4 W 9.60 4.98 0.00 3.02 2.61 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 5 Q 9.07 5.21 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.21 2.52 0.00 6 C 9.07 3.52 0.00 2.27 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.84 3.74 2.05 0.00 0.00 0.00 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 0.94 0.00 0.00 8 V 7.77 3.87 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 0.83 0.00 0.00 0.95 0.00 0.00 9 C 8.21 4.63 0.00 3.10 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 10 G 8.05 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.30 4.25 0.00 3.31 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.64 4.87 1.71 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.89 0.86 0.00 0.00 13 Y 9.43 4.49 0.00 3.59 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.87 4.67 0.00 2.60 2.31 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.18 4.06 0.00 2.27 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 0.00 2.97 2.86 0.00 16 A 8.28 3.94 1.26 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 0.00 0.00 17 L 8.05 4.00 0.00 1.60 1.67 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 18 G 7.76 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 0.00 0.00 0.00 0.00 19 L 8.10 4.90 0.00 1.90 1.79 1.56 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.53 0.00 2.21 2.14 0.00 3.64 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 21 E 7.88 4.56 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 22 E 8.34 4.19 0.00 2.14 2.14 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 2.67 2.56 0.00 23 G 7.91 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 0.00 0.00 0.00 0.00 24 I 8.89 4.58 1.91 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.84 0.88 0.00 0.00 25 P 0.00 4.76 0.00 2.07 1.97 0.00 3.58 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 26 A 7.82 4.19 1.33 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 27 G 8.84 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 28 T 7.54 4.11 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 1.11 0.00 0.00 29 R 8.43 4.44 0.00 2.05 1.91 0.00 3.20 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.69 0.00 30 W 9.34 3.68 0.00 2.42 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.08 3.76 0.00 1.95 1.94 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 2.35 2.42 0.00 32 D 7.57 4.60 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.53 3.77 0.81 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.04 -0.37 0.00 0.00 34 P 0.00 4.09 0.00 2.20 1.92 0.00 3.26 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 35 A 8.46 3.91 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 36 D 7.88 4.51 0.00 2.77 2.78 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 0.00 0.00 0.00 37 W 7.70 4.09 0.00 3.06 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 38 V 6.83 4.18 1.92 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 0.69 0.00 0.00 0.62 0.00 0.00 39 C 8.18 3.54 0.00 3.28 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.15 0.00 1.74 1.93 0.00 2.29 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.02 0.00 41 D 7.60 4.73 0.00 2.71 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.77 4.61 0.00 2.99 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 43 G 8.16 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 44 V 7.44 3.83 2.30 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 0.71 0.00 0.00 0.99 0.00 0.00 45 G 8.30 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.66 4.54 0.00 1.92 2.06 0.00 1.49 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.54 7.81 47 I 8.03 3.90 1.98 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 1.51 0.86 1.01 0.00 0.00 48 D 8.39 4.94 0.00 2.82 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 49 F 8.23 5.48 0.00 3.01 2.75 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 50 E 9.02 4.88 0.00 1.95 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 0.00 2.15 2.16 0.00 51 M 7.97 3.45 0.00 1.06 0.57 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 52 I 8.33 4.06 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.65 0.88 0.00 0.00 53 E 7.53 4.09 0.00 1.84 1.74 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 2.13 2.18 0.00