NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3520 8.1133 119.7064 56.4611 32.6015 177.5437 2 M 3.9336 7.9212 117.5582 57.0806 31.9993 176.8554 3 K 4.1685 8.1064 120.9962 58.8944 32.8126 178.1321 4 Q 3.9595 8.0302 119.3570 59.2252 28.9491 178.1279 5 I 3.6814 7.5208 120.4802 64.5859 37.2451 178.1833 6 E 3.9568 8.3386 119.3532 59.5767 29.2528 179.3060 7 D 4.4543 8.2386 118.7967 57.3279 40.8401 178.8839 8 K 3.9695 8.2434 119.0774 59.5479 31.9270 179.4657 9 I 3.6906 8.0681 120.3367 64.2815 36.9412 178.0344 10 E 4.0744 8.1282 120.1311 59.3082 29.3823 178.5281 11 E 3.9136 8.1842 119.3415 59.2663 29.6804 178.8077 12 I 3.6926 7.9959 120.0440 64.5034 37.1672 178.2871 13 E 3.9690 8.4875 119.6890 59.3620 29.2420 179.3421 14 S 4.0746 8.3440 113.4694 61.2776 62.4588 176.1765 15 K 3.9615 8.3209 122.5493 59.4081 31.8168 178.5986 16 Q 3.9641 8.2699 120.0283 59.1016 28.8949 178.4143 17 K 4.1444 8.0715 119.5582 59.3300 31.9887 179.3711 18 K 3.9150 8.0363 118.8023 59.5195 31.9052 179.3267 19 I 3.6796 7.8576 119.8199 64.5763 37.0826 178.2341 20 E 3.9732 8.4233 119.5683 59.6609 29.2589 179.3597 21 N 4.3550 8.4779 116.6813 56.1760 38.5147 177.1120 22 E 3.9339 8.4770 121.0283 59.3437 29.6464 178.9285 23 I 3.6748 8.1932 120.0544 64.2464 37.2401 178.2358 24 A 3.9843 8.0084 121.6401 55.2280 18.2262 179.9259 25 R 3.8733 7.9913 116.5404 59.3741 30.0569 179.2570 26 I 3.6820 7.9600 119.7322 64.5193 37.1427 178.6479 27 K 3.9771 8.3414 119.4352 59.4206 31.7863 179.6431 28 K 4.0058 8.0159 118.6205 59.2708 31.9808 179.2410 29 L 3.9897 7.9532 120.7653 57.9454 41.9318 178.7419 30 L 4.0942 8.2180 122.0871 57.5975 41.9729 178.8938 31 Q 4.0379 8.2981 118.1709 58.9991 28.6675 178.8995 32 L 4.0636 7.7625 119.8343 57.9988 41.2479 179.7082 33 T 4.0071 8.1365 109.8655 64.6603 68.6776 176.7975 34 V 3.6498 8.1423 121.3615 65.5322 31.4932 177.7464 35 W 4.1195 8.3993 128.1869 60.4328 30.4821 178.1076 36 G 3.7976 8.5487 105.6315 47.9527 0.0000 175.6487 37 I 3.6645 7.9485 122.5232 63.9071 37.1465 178.4074 38 K 3.7667 8.0898 120.5430 59.4877 32.0775 178.5968 39 Q 3.5497 7.8082 120.1192 58.9189 28.8528 178.2053 40 L 3.9110 7.9399 120.1822 57.7528 41.5851 179.2625 41 Q 3.8852 8.1787 119.3378 59.1423 28.7883 178.0057 42 A 3.9047 7.6390 120.5530 55.2007 18.4079 179.3166 43 R 3.9427 7.6117 115.9354 59.6704 30.2695 178.5497 44 I 3.8442 7.5937 118.4630 64.1224 37.1667 176.6551 45 L 4.2979 8.0216 123.5670 54.9610 41.6987 176.6608 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 R 8.11 4.35 0.00 1.89 2.05 0.00 3.09 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 2 M 7.92 3.93 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.65 0.00 3 K 8.11 4.17 0.00 1.86 1.80 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.50 1.41 7.81 4 Q 8.03 3.96 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 5 I 7.52 3.68 2.03 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 1.52 0.60 0.91 0.00 0.00 6 E 8.34 3.96 0.00 2.15 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 2.33 2.45 0.00 7 D 8.24 4.45 0.00 2.89 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 8 K 8.24 3.97 0.00 1.93 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.46 1.63 7.81 9 I 8.07 3.69 2.01 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 1.41 0.83 0.91 0.00 0.00 10 E 8.13 4.07 0.00 2.06 2.08 0.00 0.00 0.00 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 2.32 0.00 11 E 8.18 3.91 0.00 2.10 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 0.00 2.30 2.35 0.00 12 I 8.00 3.69 2.01 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 1.52 0.54 0.91 0.00 0.00 13 E 8.49 3.97 0.00 2.15 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 2.33 2.41 0.00 14 S 8.34 4.07 0.00 3.88 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 15 K 8.32 3.96 0.00 1.90 1.93 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.49 7.81 16 Q 8.27 3.96 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 17 K 8.07 4.14 0.00 1.83 1.84 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.62 7.81 18 K 8.04 3.91 0.00 1.95 1.86 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.63 7.81 19 I 7.86 3.68 2.03 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 1.52 0.78 0.91 0.00 0.00 20 E 8.42 3.97 0.00 2.14 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 2.49 0.00 21 N 8.48 4.35 0.00 3.03 2.86 0.00 0.00 6.66 8.52 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 22 E 8.48 3.93 0.00 2.15 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 2.31 2.40 0.00 23 I 8.19 3.67 2.01 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 1.46 0.65 0.91 0.00 0.00 24 A 8.01 3.98 1.40 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 0.00 0.00 0.00 25 R 7.99 3.87 0.00 2.04 1.99 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 26 I 7.96 3.68 2.01 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 1.52 0.80 0.92 0.00 0.00 27 K 8.34 3.98 0.00 1.94 1.86 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.56 7.81 28 K 8.02 4.01 0.00 1.95 1.84 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.63 7.81 29 L 7.95 3.99 0.00 1.78 1.80 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.22 4.09 0.00 1.90 1.88 0.94 0.97 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 31 Q 8.30 4.04 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 32 L 7.76 4.06 0.00 1.86 1.72 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.14 4.01 4.28 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 1.27 0.00 0.00 34 V 8.14 3.65 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 1.09 0.00 0.00 0.99 0.00 0.00 35 W 8.40 4.12 0.00 3.58 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.55 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 0.00 0.00 0.00 37 I 7.95 3.66 2.01 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 1.41 0.68 0.89 0.00 0.00 38 K 8.09 3.77 0.00 1.79 1.64 0.00 1.56 0.00 0.00 1.43 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.22 1.33 7.81 39 Q 7.81 3.55 0.00 0.93 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 40 L 7.94 3.91 0.00 1.80 1.66 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.18 3.89 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 42 A 7.64 3.90 1.25 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 0.00 0.00 0.00 43 R 7.61 3.94 0.00 1.81 2.06 0.00 3.26 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 44 I 7.59 3.84 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.70 0.89 0.00 0.00 45 L 8.02 4.30 0.00 1.63 1.55 0.89 1.11 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