NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4885 8.1633 118.3280 55.3580 33.6295 173.5007 2 Q 4.8838 8.2734 117.9430 52.4168 31.3349 173.3757 3 I 4.6562 9.2038 117.2983 59.0352 42.1870 174.2902 4 F 5.0073 9.0419 122.5377 56.0517 40.8537 174.9823 5 V 4.4715 8.9420 126.1431 61.4471 32.7343 174.7548 6 K 4.9245 9.1814 129.2437 56.0000 33.7465 177.5201 7 T 5.2397 8.6102 122.4752 61.5391 70.5438 175.7850 8 L 3.9908 8.5748 121.5637 58.2292 41.6110 178.6885 9 T 4.0470 7.8304 106.3795 62.2394 69.1435 175.4328 10 G 3.9069 8.1648 111.1391 44.8820 0.0000 173.4576 11 K 4.0153 7.8174 122.2392 56.8454 33.3513 175.8681 12 T 4.7696 8.5601 124.9084 62.3904 68.8639 173.7106 13 I 4.1339 9.0155 128.7830 60.6678 38.4007 175.4685 14 T 4.5915 8.5419 125.0656 62.8908 69.0583 174.0513 15 L 4.6749 8.6465 128.9249 52.9992 45.4532 174.8252 16 E 4.7513 8.6762 126.6221 55.4631 30.0953 175.2144 17 V 4.6447 8.6486 119.7149 60.0544 36.5557 174.2788 18 E 4.7407 8.4059 119.3312 53.9408 33.2049 175.7707 19 P 4.1991 0.0000 0.0000 65.9612 31.5264 178.2938 20 S 4.4720 7.8711 110.9046 58.8673 63.2128 173.5769 21 D 4.5328 8.2414 122.8473 53.7512 41.8648 175.6039 22 T 4.5153 8.2195 115.9364 61.0485 70.2510 175.5525 23 I 3.6838 8.8712 125.3216 64.7771 37.0201 178.4313 24 E 4.1993 8.1300 120.8763 58.7327 29.4021 178.2720 25 N 4.3624 8.1388 117.2634 56.3269 38.9720 177.1125 26 V 3.5610 7.6127 119.4147 65.9123 31.6850 177.9758 27 K 4.3157 8.3822 119.3618 58.9062 31.6333 179.2164 28 A 4.0195 7.5446 119.8762 55.0303 18.6596 179.5366 29 K 4.0716 8.2647 117.1614 59.7183 32.1259 179.7225 30 I 3.7640 7.9553 120.1522 64.2396 37.0251 178.1154 31 Q 4.2372 8.1075 120.0490 58.3672 28.5913 177.5350 32 D 4.3458 7.6478 118.5338 56.9984 41.4167 178.0489 33 K 4.1174 7.8413 117.4056 59.2883 32.4691 178.5449 34 E 4.2805 8.5001 117.2973 58.4526 30.0620 177.9490 35 G 4.5090 8.0894 103.8290 45.8204 0.0000 173.2187 36 I 3.9273 7.3189 120.8529 59.8405 37.9100 174.0664 37 P 4.2636 0.0000 0.0000 62.3551 31.7884 175.4889 38 P 4.2217 0.0000 0.0000 65.5544 31.4980 178.0723 39 D 4.3290 8.1370 116.4930 56.5551 41.3531 176.0533 40 Q 4.5041 8.3070 118.6550 55.8543 30.3618 174.7236 41 Q 4.5548 8.0320 118.8182 55.9220 30.4607 174.9974 42 R 4.6936 8.5616 123.0137 54.3930 33.2872 174.4447 43 L 5.0437 8.4033 124.7240 53.7641 43.4733 176.0580 44 I 4.9779 8.8830 124.2848 59.6520 41.3292 175.0128 45 F 4.5148 9.4476 128.5225 57.2698 42.0386 173.8966 46 A 3.5969 8.6531 131.4715 53.4651 15.1301 177.6397 47 G 3.9888 8.3949 104.0352 47.0017 0.0000 173.9812 48 K 4.6465 7.5698 117.2047 54.1822 35.8869 175.8058 49 Q 4.6298 8.6003 122.4626 55.7028 29.6490 175.6115 50 L 3.8549 8.7987 124.3903 54.2805 42.3316 176.7058 51 E 4.3861 9.6758 124.2865 55.7802 30.1472 177.9528 52 D 4.3518 8.9898 122.7668 57.1296 41.1848 177.5555 53 G 3.9411 7.9467 106.6361 45.6821 0.0000 173.1008 54 R 4.6619 7.7713 118.1409 54.1357 33.6610 174.7065 55 T 4.9635 8.9859 109.6692 59.6517 71.3183 175.6667 56 L 4.0597 8.1837 121.3463 57.6437 41.9318 180.2348 57 S 4.2271 8.0058 113.1052 61.0962 63.2536 176.2774 58 D 4.1731 7.5659 120.2533 57.0688 40.4847 176.6955 59 Y 4.4650 7.7479 113.2725 57.0478 38.1319 174.8176 60 N 4.1012 7.7814 116.1721 54.2112 36.6540 175.2189 61 I 3.7817 7.8811 120.0724 60.9280 36.4305 176.4475 62 Q 4.4281 8.3318 125.7690 54.0858 30.4645 175.9482 63 K 4.0768 8.3847 117.8093 58.4761 32.9955 176.3052 64 E 4.0092 8.5077 119.7432 57.7941 27.6689 175.0379 65 S 4.7313 7.9802 112.9580 58.5173 65.1689 173.9066 66 T 4.9517 8.5561 118.9206 62.6412 69.1814 174.4832 67 L 4.9294 9.1475 127.2625 53.6495 44.8705 175.4446 68 H 5.3552 8.6638 117.0609 54.0087 32.8812 172.4897 69 L 5.1198 9.3280 125.3661 53.4329 44.3515 174.9411 70 V 4.6860 8.8570 127.3957 61.0056 34.1167 174.2353 71 L 4.9397 8.4218 127.6983 53.2155 42.8087 176.5410 72 R 4.0250 8.6523 124.7333 56.0252 30.0974 176.1294 73 L 4.4320 8.3113 128.2234 53.4713 40.5175 176.5219 74 R 4.0478 8.2520 123.1894 58.0591 30.7724 177.0532 75 G 3.9887 7.9037 106.4840 44.4654 0.0000 173.6275 76 G 3.7238 8.3979 111.7952 46.0831 0.0000 172.8716 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 8.16 4.49 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.75 0.00 2 Q 8.27 4.88 0.00 1.86 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 3 I 9.20 4.66 1.84 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 1.28 0.63 0.86 0.00 0.00 4 F 9.04 5.01 0.00 2.98 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 5 V 8.94 4.47 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.96 0.00 0.00 6 K 9.18 4.92 0.00 1.69 1.80 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.58 1.44 7.81 7 T 8.61 5.24 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 1.24 0.00 0.00 8 L 8.57 3.99 0.00 1.64 1.74 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.83 4.05 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 1.22 0.00 0.00 10 G 8.16 3.91 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 0.00 0.00 0.00 11 K 7.82 4.02 0.00 1.87 1.72 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.49 7.81 12 T 8.56 4.77 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 1.35 0.00 0.00 13 I 9.02 4.13 1.96 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 1.25 0.60 0.91 0.00 0.00 14 T 8.54 4.59 4.18 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 0.88 0.00 0.00 15 L 8.65 4.67 0.00 1.67 1.40 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.68 4.75 0.00 1.97 1.82 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 2.21 2.29 0.00 17 V 8.65 4.64 2.04 0.00 0.00 0.00 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 0.87 0.00 0.00 18 E 8.41 4.74 0.00 1.82 1.77 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 2.26 2.22 0.00 19 P 0.00 4.20 0.00 2.15 2.09 0.00 3.57 0.00 0.00 3.75 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 20 S 7.87 4.47 0.00 3.85 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 21 D 8.24 4.53 0.00 2.80 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.22 4.52 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 1.27 0.00 0.00 23 I 8.87 3.68 2.08 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 1.66 1.06 0.89 0.00 0.00 24 E 8.13 4.20 0.00 2.26 1.95 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 2.38 2.32 0.00 25 N 8.14 4.36 0.00 2.89 2.99 0.00 0.00 7.36 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.61 3.56 2.23 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 0.98 0.00 0.00 0.99 0.00 0.00 27 K 8.38 4.32 0.00 1.95 1.92 0.00 1.91 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.66 1.64 7.81 28 A 7.54 4.02 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 29 K 8.26 4.07 0.00 1.98 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.62 7.81 30 I 7.96 3.76 2.15 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 1.40 0.89 0.91 0.00 0.00 31 Q 8.11 4.24 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 32 D 7.65 4.35 0.00 2.72 2.85 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 0.00 0.00 0.00 33 K 7.84 4.12 0.00 1.76 1.84 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.51 7.81 34 E 8.50 4.28 0.00 1.99 1.99 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 2.31 2.46 0.00 35 G 8.09 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.32 3.93 1.87 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 1.42 0.58 0.91 0.00 0.00 37 P 0.00 4.26 0.00 2.17 2.00 0.00 3.62 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 38 P 0.00 4.22 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.14 4.33 0.00 2.61 2.70 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 40 Q 8.31 4.50 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 41 Q 8.03 4.55 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 42 R 8.56 4.69 0.00 1.92 1.82 0.00 3.11 0.00 0.00 3.43 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.40 5.04 0.00 1.55 1.54 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.88 4.98 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.81 0.91 0.00 0.00 45 F 9.45 4.51 0.00 2.90 2.71 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 46 A 8.65 3.60 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 47 G 8.39 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 48 K 7.57 4.65 0.00 2.15 1.76 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.19 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.62 7.81 49 Q 8.60 4.63 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 50 L 8.80 3.85 0.00 1.33 1.32 0.71 -0.12 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 51 E 9.68 4.39 0.00 2.00 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 0.00 2.39 2.45 0.00 52 D 8.99 4.35 0.00 2.72 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 53 G 7.95 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 0.00 0.00 0.00 54 R 7.77 4.66 0.00 2.07 1.69 0.00 3.10 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 55 T 8.99 4.96 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 56 L 8.18 4.06 0.00 1.82 1.69 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.01 4.23 0.00 3.99 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.57 4.17 0.00 2.54 2.29 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 0.00 59 Y 7.75 4.46 0.00 2.75 2.80 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 60 N 7.78 4.10 0.00 2.97 2.96 0.00 0.00 7.00 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.88 3.78 1.75 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.11 0.76 0.00 0.00 62 Q 8.33 4.43 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 63 K 8.38 4.08 0.00 1.88 1.83 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 64 E 8.51 4.01 0.00 2.30 2.39 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 2.44 2.34 0.00 65 S 7.98 4.73 0.00 3.95 4.17 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 66 T 8.56 4.95 4.21 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 1.17 0.00 0.00 67 L 9.15 4.93 0.00 1.64 1.63 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.66 5.36 0.00 3.20 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.33 5.12 0.00 1.69 1.53 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.86 4.69 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 0.92 0.00 0.00 0.94 0.00 0.00 71 L 8.42 4.94 0.00 1.57 1.59 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.65 4.02 0.00 1.83 1.88 0.00 3.22 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 73 L 8.31 4.43 0.00 1.67 1.61 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.25 4.05 0.00 1.77 1.95 0.00 3.39 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 75 G 7.90 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 76 G 8.40 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00