NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1970 8.2601 123.5641 52.1289 20.1056 175.9579 2 A 4.3032 7.6974 122.7660 48.2386 22.6816 175.1019 3 K 3.6007 8.6966 122.7134 60.0244 33.0124 177.2013 4 Y 4.2567 7.8159 116.4194 59.5492 37.6519 178.1772 5 C 4.3815 7.4879 120.2451 59.5851 43.6449 175.2531 6 K 3.5039 7.3372 118.5331 57.4753 31.8500 177.5456 7 L 4.1126 7.6260 120.4517 54.0838 42.0984 175.8106 8 P 4.7593 0.0000 0.0000 61.8117 33.2518 176.7299 9 L 3.1967 8.2277 118.4749 55.5264 39.3055 176.1950 10 R 4.3895 7.2915 123.5342 53.8977 29.1572 175.6193 11 I 4.0745 7.8759 123.9764 61.8480 38.0667 175.7245 12 G 4.8610 8.5011 109.2150 45.8489 0.0000 171.3011 13 P 4.8209 0.0000 0.0000 63.3279 31.9227 176.6203 14 C 4.9311 7.9311 115.6911 56.4052 42.6483 173.8542 15 K 4.4672 8.1949 118.2259 57.1608 32.3920 175.7755 16 R 4.7579 7.5626 117.3526 55.5065 34.3975 175.7470 17 K 4.4902 8.1944 119.0835 56.2634 34.6859 175.8928 18 I 4.5050 8.8893 127.4938 58.1794 40.3199 173.4370 19 P 4.5602 0.0000 0.0000 63.3416 31.6984 175.7266 20 S 4.8562 8.7520 120.2746 56.8811 68.1399 172.4984 21 F 5.9384 9.9450 118.6596 56.4307 42.5579 174.3706 22 Y 5.5913 9.4750 119.7872 55.6344 41.9526 173.3856 23 Y 4.5586 9.4944 121.6694 55.8804 40.3723 174.9959 24 K 4.2520 7.8009 129.8455 54.8393 30.6391 176.7105 25 W 4.4547 8.8357 135.0000 59.8913 30.9140 177.4863 26 K 4.0993 8.2968 116.7473 57.5583 32.0036 176.4717 27 A 4.3869 7.4708 119.8429 52.9074 20.6512 177.4743 28 K 3.7927 9.1284 112.4557 57.3617 30.3700 176.0080 29 Q 4.3366 6.6499 114.9138 54.1099 33.7029 174.7997 30 C 4.8960 8.5532 118.4862 57.0657 41.7151 173.3776 31 L 5.1994 9.0552 122.9064 52.2244 45.8427 174.4110 32 P 4.6390 0.0000 0.0000 63.2099 32.6309 174.9868 33 F 4.7110 8.6571 115.2498 57.0441 41.8788 171.5497 34 D 4.9799 8.6633 118.4997 52.7968 42.3781 176.2506 35 Y 4.4842 8.3669 125.5667 57.1655 40.1229 175.6280 36 S 4.1868 7.9062 118.9669 59.2047 62.4873 175.1749 37 G 3.8050 5.3800 118.6382 44.8500 0.0000 173.3831 38 C 4.7163 7.1770 118.5005 56.0717 41.8186 173.8427 39 G 4.4106 8.8506 109.8491 46.5441 0.0000 175.7487 40 G 4.1145 8.4850 114.6192 43.9058 0.0000 172.9864 41 N 4.6094 7.9519 121.6639 52.0208 39.4898 174.2361 42 A 3.7139 8.2613 120.0460 54.5374 18.9334 178.0999 43 N 5.0061 7.7048 116.1001 51.7836 37.1667 174.2561 44 R 4.8905 6.4214 117.5663 55.2817 33.8918 173.7972 45 F 4.9828 9.3940 123.4026 55.7202 43.0103 176.0361 46 K 4.5894 9.0110 123.3400 58.4813 32.1048 177.8202 47 T 4.5410 7.7150 108.7769 58.9162 72.9329 174.4482 48 I 2.9980 6.4284 121.9986 64.1733 37.9997 178.1658 49 E 3.8668 7.7181 118.8723 59.2107 29.2302 178.8043 50 E 3.8546 8.2758 119.5887 59.1270 29.6481 177.8381 51 C 2.4500 7.1625 117.7874 59.0574 39.8029 175.3643 52 R 3.7526 8.1326 120.3063 59.6692 29.4258 178.4460 53 R 3.8478 8.0699 117.0567 59.4746 30.0528 178.4765 54 T 3.9517 7.7298 115.1421 66.4076 68.6334 175.2669 55 C 4.3045 7.8318 118.5114 58.1520 44.4220 174.0621 56 V 3.6839 7.1635 118.0353 62.6076 32.3457 175.9628 57 G 4.1284 8.4631 109.1709 45.9690 0.0000 173.5459 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 A 8.26 4.20 1.34 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 0.00 0.00 2 A 7.70 4.30 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.70 3.60 0.00 1.83 1.83 0.00 1.54 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.49 7.81 4 Y 7.82 4.26 0.00 3.20 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 5 C 7.49 4.38 0.00 2.70 3.07 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 6 K 7.34 3.50 0.00 1.52 1.45 0.00 0.66 0.00 0.00 0.99 0.00 0.00 2.67 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 0.21 7.81 7 L 7.63 4.11 0.00 1.83 1.67 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.76 0.00 2.21 2.16 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 9 L 8.23 3.20 0.00 1.33 1.50 -0.41 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.29 4.39 0.00 1.86 1.81 0.00 3.37 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 11 I 7.88 4.07 1.94 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 1.61 0.78 1.05 0.00 0.00 12 G 8.50 4.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.82 0.00 2.18 2.15 0.00 3.89 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 14 C 7.93 4.93 0.00 2.83 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.47 0.00 1.79 1.84 0.00 1.38 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.44 7.81 16 R 7.56 4.76 0.00 1.61 1.75 0.00 3.04 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 17 K 8.19 4.49 0.00 1.77 1.72 0.00 1.48 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.43 7.81 18 I 8.89 4.51 1.93 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 1.23 0.69 0.92 0.00 0.00 19 P 0.00 4.56 0.00 1.97 1.98 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 20 S 8.75 4.86 0.00 3.29 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 21 F 9.95 5.94 0.00 3.18 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.47 5.59 0.00 3.23 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 23 Y 9.49 4.56 0.00 3.11 3.05 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 0.00 0.00 0.00 0.00 24 K 7.80 4.25 0.00 1.40 1.34 0.00 1.78 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.45 7.81 25 W 8.84 4.45 0.00 3.86 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.30 4.10 0.00 1.88 1.87 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 27 A 7.47 4.39 1.13 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 0.00 0.00 28 K 9.13 3.79 0.00 1.58 2.06 0.00 1.01 0.00 0.00 0.90 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 1.20 7.81 29 Q 6.65 4.34 0.00 1.70 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.66 7.06 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 30 C 8.55 4.90 0.00 2.86 3.07 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 31 L 9.06 5.20 0.00 1.51 1.57 0.84 0.73 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 32 P 0.00 4.64 0.00 1.86 1.50 0.00 3.92 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 33 F 8.66 4.71 0.00 3.05 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 34 D 8.66 4.98 0.00 2.52 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.37 4.48 0.00 2.60 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 36 S 7.91 4.19 0.00 3.71 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 5.38 3.81 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 0.00 0.00 0.00 38 C 7.18 4.72 0.00 2.88 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 39 G 8.85 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 40 G 8.48 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.61 0.00 2.76 2.79 0.00 0.00 5.86 7.44 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 42 A 8.26 3.71 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.70 5.01 0.00 3.09 3.09 0.00 0.00 7.46 9.28 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 44 R 6.42 4.89 0.00 1.58 1.47 0.00 2.39 0.00 0.00 2.45 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.81 0.00 45 F 9.39 4.98 0.00 3.32 3.04 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 0.00 0.00 0.00 0.00 46 K 9.01 4.59 0.00 1.86 2.00 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.44 7.81 47 T 7.71 4.54 4.11 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 48 I 6.43 3.00 1.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.03 0.67 0.00 0.00 49 E 7.72 3.87 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 50 E 8.28 3.85 0.00 2.14 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 2.59 2.60 0.00 51 C 7.16 2.45 0.00 2.60 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 52 R 8.13 3.75 0.00 1.84 1.94 0.00 3.27 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 53 R 8.07 3.85 0.00 1.89 2.00 0.00 3.47 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 54 T 7.73 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 1.33 0.00 0.00 55 C 7.83 4.30 0.00 2.51 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.16 3.68 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 0.72 0.00 0.00 1.02 0.00 0.00 57 G 8.46 4.13 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 0.00 0.00 0.00