NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.4035 8.1576 122.0504 56.4097 34.0125 173.9640 2 S 4.8743 8.5210 120.7604 56.4852 65.1390 172.6394 3 C 5.1265 9.7912 121.3323 55.5438 45.2849 173.8101 4 C 5.4543 9.2106 120.8653 55.2084 43.2285 175.3573 5 R 3.5852 8.6655 118.8816 58.3352 30.3755 177.0303 6 S 4.5621 7.3558 111.2577 56.4858 66.9082 175.2364 7 T 3.9184 8.3567 118.0928 66.7172 68.0727 176.9907 8 L 4.1104 7.9533 120.7158 57.6109 41.6072 179.6362 9 G 3.6058 7.9972 105.7141 47.6428 0.0000 175.8316 10 R 3.9478 8.1409 121.1880 59.1190 30.0589 178.0556 11 N 4.2828 8.4002 117.0109 56.8079 38.9282 175.6213 12 C 4.1428 8.3220 119.8814 60.0935 40.6721 175.0111 13 Y 3.9881 8.2854 120.8031 60.8896 38.2088 177.7642 14 N 4.3266 8.3930 116.3608 56.2313 38.9367 177.2183 15 L 4.0868 8.1552 120.4725 58.0095 41.7171 178.5121 16 C 4.1528 8.4630 118.8008 59.8513 43.2706 175.3993 17 R 3.9551 7.4358 118.5141 56.9309 29.6850 178.3867 18 V 3.7255 7.4890 118.6031 65.2994 31.6347 176.4630 19 R 4.5154 7.8527 113.2640 55.2500 32.2026 175.4631 20 G 3.9437 8.0630 107.3868 43.7710 0.0000 173.4242 21 A 4.1751 8.0693 122.2467 51.1071 20.6349 179.0931 22 Q 4.0549 8.4797 119.6553 59.3106 28.8654 179.6046 23 K 4.0402 8.0122 118.9508 59.3200 32.1208 179.0771 24 L 3.9758 7.8520 120.1675 58.4636 42.1490 179.6111 25 C 4.3460 8.4066 116.2104 59.6499 38.9792 175.9621 26 A 4.1399 8.4208 122.8034 55.1715 17.8407 179.4635 27 N 4.2964 8.2797 114.7989 56.4353 38.4366 177.4616 28 A 4.0677 8.0681 120.9942 54.8568 18.5575 178.1185 29 C 4.6595 8.1632 111.4540 55.6181 41.3121 173.9211 30 R 3.7658 7.6555 118.6035 57.8134 27.5796 174.7381 31 C 5.1992 8.4292 113.8503 55.4855 43.4892 174.5055 32 K 4.6689 9.0785 118.6834 54.6663 35.4258 175.5518 33 L 4.9928 8.3001 122.4892 53.6052 43.4429 175.8552 34 T 4.7449 8.7150 117.4281 60.3933 70.0587 174.1082 35 S 4.3053 8.9038 121.3085 60.0581 63.9875 174.8603 36 G 3.9137 7.3444 109.7112 45.0095 0.0000 173.1402 37 L 4.6492 8.4202 118.3488 53.9550 42.9994 176.0117 38 K 4.5448 7.8153 120.0230 54.4744 34.3541 175.9551 39 C 4.5979 8.6572 123.9391 55.1559 39.6713 171.7362 40 P 4.4163 0.0000 0.0000 63.2087 31.0542 177.5157 41 S 3.8835 8.7877 118.3350 60.9277 62.9266 175.6246 42 S 4.2471 8.1075 113.8651 60.0736 63.7563 174.2585 43 F 4.8839 9.0418 119.9990 55.4094 38.7289 172.9896 44 P 4.5831 0.0000 0.0000 63.0451 32.7908 177.0766 45 K 4.1690 8.2026 124.8283 56.6974 32.1277 176.1160 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 K 8.16 4.40 0.00 1.84 1.83 0.00 1.65 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.43 7.81 2 S 8.52 4.87 0.00 3.14 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 C 9.79 5.13 0.00 2.79 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.21 5.45 0.00 2.82 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 5 R 8.67 3.59 0.00 1.69 1.76 0.00 3.17 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.51 0.00 6 S 7.36 4.56 0.00 3.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 3.92 4.24 0.00 0.00 0.00 0.00 0.00 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 8 L 7.95 4.11 0.00 1.69 1.73 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.00 3.61 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 0.00 0.00 0.00 10 R 8.14 3.95 0.00 1.97 2.14 0.00 3.22 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 11 N 8.40 4.28 0.00 2.89 2.98 0.00 0.00 6.86 7.62 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 12 C 8.32 4.14 0.00 3.20 3.39 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 0.00 0.00 0.00 13 Y 8.29 3.99 0.00 3.12 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 14 N 8.39 4.33 0.00 2.81 2.89 0.00 0.00 7.14 8.16 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 15 L 8.16 4.09 0.00 1.88 1.69 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.46 4.15 0.00 2.97 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 17 R 7.44 3.96 0.00 1.79 1.78 0.00 3.32 0.00 0.00 2.57 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.85 0.00 18 V 7.49 3.73 2.13 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 0.81 0.00 0.00 0.97 0.00 0.00 19 R 7.85 4.52 0.00 1.76 1.87 0.00 3.39 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 20 G 8.06 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 21 A 8.07 4.18 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 22 Q 8.48 4.05 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.86 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 23 K 8.01 4.04 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.51 7.81 24 L 7.85 3.98 0.00 1.76 1.66 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 25 C 8.41 4.35 0.00 2.89 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 26 A 8.42 4.14 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.28 4.30 0.00 2.98 2.90 0.00 0.00 6.91 7.56 0.00 0.00 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 A 8.07 4.07 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 29 C 8.16 4.66 0.00 3.22 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.66 3.77 0.00 1.96 2.08 0.00 3.16 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 31 C 8.43 5.20 0.00 2.72 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 32 K 9.08 4.67 0.00 1.07 1.30 0.00 0.61 0.00 0.00 1.19 0.00 0.00 2.67 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.94 0.21 7.81 33 L 8.30 4.99 0.00 1.48 1.54 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.71 4.74 4.16 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 1.16 0.00 0.00 35 S 8.90 4.31 0.00 4.00 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 36 G 7.34 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 37 L 8.42 4.65 0.00 1.58 1.65 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.82 4.54 0.00 1.66 1.65 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.41 7.81 39 C 8.66 4.60 0.00 3.02 3.23 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 40 P 0.00 4.42 0.00 2.37 2.24 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.91 0.00 41 S 8.79 3.88 0.00 3.90 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 42 S 8.11 4.25 0.00 4.01 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 0.00 43 F 9.04 4.88 0.00 2.73 2.98 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 44 P 0.00 4.58 0.00 2.17 2.28 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.03 0.00 45 K 8.20 4.17 0.00 1.97 1.73 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.39 7.81