NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4884 8.1776 115.4163 57.6644 64.4892 174.0390 2 I 3.5777 8.4246 113.1687 63.6305 37.2631 177.6927 3 C 4.1207 8.5879 118.5662 60.3485 41.0291 176.5947 4 S 4.0866 8.3582 112.7970 60.2686 62.2509 174.1944 5 E 4.1539 8.1869 120.3969 55.5568 29.6820 175.1093 6 P 4.9235 0.0000 0.0000 60.6697 33.0239 175.4872 7 K 3.1400 7.9024 119.3913 56.1818 32.1806 176.3029 8 K 4.4679 7.6031 124.1862 54.5386 35.5725 175.0389 9 V 3.9697 8.3192 125.4712 61.8029 31.4483 178.0130 10 G 4.2970 7.8538 109.3604 44.8923 0.0000 172.6439 11 R 4.0408 8.1701 118.1980 59.3858 30.2610 178.8516 12 C 4.5496 8.3560 115.5650 57.0494 40.6727 174.1452 13 K 4.6056 8.3947 120.6948 56.0160 32.5566 176.8853 14 G 3.7987 8.0102 107.7800 45.9457 0.0000 174.4489 15 Y 4.2130 8.0722 123.8974 56.2786 37.1956 174.6788 16 F 4.5461 7.5795 120.6698 54.5014 39.9334 172.7538 17 P 4.3884 0.0000 0.0000 62.8013 31.9493 175.8609 18 R 4.9052 8.6902 122.5831 54.4601 35.2726 173.6127 19 F 5.7214 10.0196 118.3376 56.1627 42.1456 174.6290 20 Y 5.4085 9.4495 120.8721 54.9513 41.1977 174.9743 21 F 4.5430 9.7268 124.5508 58.1800 39.3023 175.1662 22 D 4.3105 7.9065 128.3232 53.2283 38.5214 176.6742 23 S 3.3789 7.3619 116.8362 59.9634 63.2665 175.2147 24 E 4.0854 8.2525 120.1449 59.3887 29.3347 178.7019 25 T 4.0967 8.3753 107.4469 61.5282 69.6453 175.8450 26 G 3.8045 8.0167 109.5881 45.5667 0.0000 172.9899 27 K 4.6323 7.2659 118.3716 54.6406 35.0183 174.7404 28 C 5.1511 8.6264 118.9559 56.9187 40.8520 173.5440 29 T 4.9365 8.6670 118.2302 61.5728 73.0066 171.6631 30 P 4.6117 0.0000 0.0000 63.0959 32.4819 174.9998 31 F 4.9672 9.2784 115.5050 56.1751 41.9004 172.5899 32 I 3.9300 8.1529 120.2090 60.5284 37.3483 174.4653 33 Y 4.0993 9.0679 130.9234 54.8965 38.7117 171.8508 34 G 3.5832 7.2158 123.6411 46.2394 0.0000 173.5316 35 G 2.9921 6.7229 113.9161 47.6755 0.0000 170.5623 36 C 4.1529 7.7067 115.8043 55.8701 38.6713 174.1366 37 G 4.0684 9.0956 112.9784 45.1783 0.0000 173.1884 38 G 3.9577 7.5705 107.0624 45.2881 0.0000 172.9726 39 N 5.1687 8.1612 116.9711 50.7792 40.1534 174.0537 40 G 3.5830 8.7842 105.6439 48.8722 0.0000 174.7425 41 N 4.5368 8.4082 120.2644 52.0020 36.1435 173.9269 42 N 4.8850 6.3614 116.6309 52.6246 40.9496 172.8373 43 F 4.9571 9.5121 124.9330 55.0823 42.3612 176.1196 44 E 4.1483 9.3785 123.5457 59.1857 29.8372 177.3769 45 T 4.2203 7.5132 106.9138 58.3291 73.2910 174.1078 46 L 3.4687 6.1323 122.9656 58.6381 41.8925 178.4271 47 H 3.9365 7.9283 117.3498 59.6830 29.5981 176.6590 48 Q 3.5327 8.0126 119.3969 59.0773 28.2382 177.7051 49 C 2.8505 7.9108 119.4621 60.0492 42.6886 174.7390 50 R 3.8253 8.6369 121.0155 57.4848 29.3296 177.7780 51 A 3.8613 8.3186 123.1315 55.7588 18.7621 179.6078 52 I 3.7168 7.5637 116.9744 63.4303 37.1470 176.1174 53 C 4.4375 7.0714 117.1431 57.3238 44.6530 173.8524 54 R 4.4049 7.7135 117.3060 53.7098 32.4866 175.3642 55 A 4.0882 8.6159 124.7579 52.4898 18.3114 176.8184 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 S 8.18 4.49 0.00 4.03 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 2 I 8.42 3.58 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.98 0.93 0.00 0.00 3 C 8.59 4.12 0.00 3.05 3.34 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 0.00 4 S 8.36 4.09 0.00 3.99 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.19 4.15 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 6 P 0.00 4.92 0.00 2.12 2.06 0.00 3.35 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.87 0.00 7 K 7.90 3.14 0.00 0.79 1.16 0.00 1.54 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.98 0.28 7.81 8 K 7.60 4.47 0.00 1.66 1.60 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.45 7.81 9 V 8.32 3.97 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 1.01 0.00 0.00 1.09 0.00 0.00 10 G 7.85 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 0.00 0.00 0.00 11 R 8.17 4.04 0.00 1.90 1.99 0.00 3.38 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 1.64 1.59 0.00 12 C 8.36 4.55 0.00 2.92 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 13 K 8.39 4.61 0.00 1.72 1.79 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.34 7.81 14 G 8.01 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 15 Y 8.07 4.21 0.00 2.86 2.81 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 0.00 0.00 0.00 0.00 16 F 7.58 4.55 0.00 2.90 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 1.88 1.64 0.00 3.39 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.69 0.00 18 R 8.69 4.91 0.00 0.88 1.99 0.00 3.40 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 19 F 10.02 5.72 0.00 3.28 3.14 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 0.00 0.00 0.00 20 Y 9.45 5.41 0.00 2.91 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.73 4.54 0.00 3.08 3.19 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 0.00 0.00 0.00 0.00 22 D 7.91 4.31 0.00 1.58 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 0.00 0.00 0.00 23 S 7.36 3.38 0.00 3.97 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 24 E 8.25 4.09 0.00 2.36 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 2.41 2.35 0.00 25 T 8.38 4.10 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 1.21 0.00 0.00 26 G 8.02 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 27 K 7.27 4.63 0.00 1.56 1.64 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.33 7.81 28 C 8.63 5.15 0.00 2.94 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 29 T 8.67 4.94 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 30 P 0.00 4.61 0.00 1.85 1.31 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.83 0.00 31 F 9.28 4.97 0.00 2.89 3.03 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 32 I 8.15 3.93 1.89 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 1.39 0.18 0.95 0.00 0.00 33 Y 9.07 4.10 0.00 2.42 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 34 G 7.22 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 6.72 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 0.00 0.00 0.00 36 C 7.71 4.15 0.00 3.08 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 37 G 9.10 4.07 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 0.00 0.00 0.00 38 G 7.57 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.16 5.17 0.00 2.98 2.79 0.00 0.00 6.45 6.98 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 40 G 8.78 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.41 4.54 0.00 2.94 2.74 0.00 0.00 7.40 8.22 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 42 N 6.36 4.88 0.00 2.70 2.40 0.00 0.00 6.22 5.12 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 43 F 9.51 4.96 0.00 3.27 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 44 E 9.38 4.15 0.00 2.00 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 2.37 2.48 0.00 45 T 7.51 4.22 4.01 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 1.22 0.00 0.00 46 L 6.13 3.47 0.00 1.48 1.23 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 47 H 7.93 3.94 0.00 3.14 3.20 0.00 5.74 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 48 Q 8.01 3.53 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.53 0.00 0.00 0.00 0.00 0.00 2.11 2.50 0.00 49 C 7.91 2.85 0.00 3.13 3.27 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 0.00 50 R 8.64 3.83 0.00 1.96 1.81 0.00 3.24 0.00 0.00 3.12 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 51 A 8.32 3.86 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.56 3.72 1.33 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 1.25 0.74 1.00 0.00 0.00 53 C 7.07 4.44 0.00 2.60 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 54 R 7.71 4.40 0.00 1.58 1.65 0.00 3.13 0.00 0.00 3.03 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.91 0.00 55 A 8.62 4.09 1.18 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 0.00 0.00