NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0097 8.0431 114.0551 61.6111 32.9230 174.4093 2 G 3.5168 8.4685 106.7824 45.9345 0.0000 169.8947 3 S 3.6582 8.3367 118.9959 57.4549 60.5411 165.2961 4 E 4.5295 8.2899 123.2548 53.9283 31.7428 175.8069 5 V 4.2172 8.2732 120.1500 59.5732 31.9324 175.0192 6 S 4.5959 8.1975 118.5593 57.2788 63.4946 173.8531 7 D 4.7218 8.4330 122.6903 54.2961 41.0127 177.3062 8 K 4.1669 7.1992 118.9758 56.9763 32.8551 176.4845 9 R 4.7322 7.4742 118.9966 54.5798 34.2294 174.3234 10 T 4.7277 8.6498 120.4448 61.9580 71.4883 174.1422 11 C 5.5758 8.7186 121.2383 55.4588 40.1963 173.5733 12 V 4.7240 9.0231 121.2210 61.2628 35.0355 173.8293 13 S 5.4299 8.7952 121.7570 56.3895 65.1568 173.0604 14 L 4.8295 9.1270 124.3700 54.1459 43.2471 175.2275 15 T 5.3866 8.8148 118.8688 61.6309 70.1834 173.7130 16 T 4.5875 8.1288 116.9229 59.7100 71.7653 172.9101 17 Q 4.1135 8.6440 120.0588 56.7828 27.9332 175.3385 18 R 4.7170 8.2549 121.6724 53.9998 33.6929 175.1991 19 L 4.7053 8.1576 120.6485 53.1909 42.5299 174.6032 20 P 4.5182 0.0000 0.0000 62.5516 32.1711 176.0307 21 V 4.5131 7.9501 119.5118 59.5959 34.1764 175.4599 22 S 4.1874 8.9020 118.3291 61.0579 62.9387 174.4714 23 R 4.6686 7.5806 118.2550 53.1806 33.0257 175.0218 24 I 4.6036 7.9955 119.8625 59.9738 38.0367 176.0538 25 K 4.4684 8.7654 126.3675 55.8817 34.0937 175.6847 26 T 4.7729 8.1199 119.4297 61.8808 71.3568 172.9649 27 Y 4.6333 9.0053 124.1917 56.1366 41.4455 174.5054 28 T 5.0179 8.6280 114.0034 59.8988 71.3033 173.5090 29 I 4.5820 8.8446 126.2032 59.6650 40.6605 174.0768 30 T 4.8849 8.5820 121.6148 60.5142 69.1866 173.9421 31 E 4.2894 9.2208 129.4308 54.9820 30.6795 174.4043 32 G 4.1127 8.6105 116.3680 45.9801 0.0000 171.8587 33 S 4.6987 8.0130 107.9895 57.0475 66.4438 173.2974 34 L 4.8676 8.4578 123.6978 53.7936 44.3288 175.1839 35 R 5.0619 9.0888 125.4845 54.5809 32.4058 174.7611 36 A 5.0641 9.0748 127.4437 50.2212 21.2631 175.3268 37 V 4.6624 8.9457 123.5341 61.2243 34.3726 174.2710 38 I 4.7459 8.7957 129.1449 59.7212 39.4951 174.4569 39 F 5.3429 9.6575 126.9900 55.8771 41.0889 174.9274 40 I 4.5959 9.0308 126.6470 60.7116 37.0902 175.3877 41 T 4.8171 8.5918 117.2165 59.2417 71.8179 175.4273 42 K 4.2744 8.8360 120.8177 58.9326 33.1628 178.0470 43 R 4.3853 7.9635 116.4303 55.4415 31.4255 177.2735 44 G 4.1429 6.4793 107.5411 46.2322 0.0000 171.6823 45 L 4.9671 8.2941 127.0029 53.0033 44.5093 175.2705 46 K 5.2383 8.9620 128.1297 54.5842 34.7425 174.9265 47 V 5.0932 9.2569 127.1438 60.1375 34.7172 173.9044 48 C 5.6092 9.8352 120.2839 55.1347 42.4195 172.6124 49 A 5.1372 8.7273 124.2341 50.3179 21.4327 174.7767 50 D 5.0355 9.4407 123.5860 51.7048 42.6467 171.5971 51 P 4.9873 0.0000 0.0000 61.6719 33.6773 175.6709 52 Q 3.2320 9.1770 120.9247 56.6681 27.0386 175.2067 53 A 3.9132 7.5100 119.5725 54.8359 18.4730 179.2560 54 T 4.3755 7.2619 103.1054 59.2220 71.2819 173.7938 55 W 4.3043 8.5632 121.6846 56.2648 29.1675 176.3479 56 V 4.4764 8.2567 123.0462 60.9531 33.2950 175.1127 57 R 4.3593 8.2314 123.3031 55.6256 31.4074 176.9317 58 D 4.5735 8.4342 121.6015 53.4352 40.0524 173.2348 59 V 3.4974 7.7758 126.3289 62.4554 32.0947 171.9247 60 V 4.0476 8.1211 125.3712 62.0142 31.2846 174.8308 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 V 8.04 4.01 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 0.87 0.00 0.00 0.93 0.00 0.00 2 G 8.47 3.52 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 0.00 0.00 0.00 3 S 8.34 3.66 0.00 4.02 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 4 E 8.29 4.53 0.00 1.90 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 2.17 2.28 0.00 5 V 8.27 4.22 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 0.86 0.00 0.00 0.93 0.00 0.00 6 S 8.20 4.60 0.00 3.81 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.43 4.72 0.00 2.66 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 7.20 4.17 0.00 1.75 1.69 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.39 7.81 9 R 7.47 4.73 0.00 1.63 1.94 0.00 3.22 0.00 0.00 3.89 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 10 T 8.65 4.73 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 1.25 0.00 0.00 11 C 8.72 5.58 0.00 2.82 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.02 4.72 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 0.81 0.00 0.00 0.94 0.00 0.00 13 S 8.80 5.43 0.00 3.89 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 14 L 9.13 4.83 0.00 1.70 1.78 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.81 5.39 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 1.26 0.00 0.00 16 T 8.13 4.59 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 1.21 0.00 0.00 17 Q 8.64 4.11 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 18 R 8.25 4.72 0.00 1.82 1.92 0.00 3.36 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 19 L 8.16 4.71 0.00 1.72 1.65 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.52 0.00 2.21 2.10 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 21 V 7.95 4.51 2.11 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 0.96 0.00 0.00 1.00 0.00 0.00 22 S 8.90 4.19 0.00 4.01 4.05 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 23 R 7.58 4.67 0.00 1.80 1.88 0.00 3.21 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 24 I 8.00 4.60 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.62 1.16 0.00 0.00 25 K 8.77 4.47 0.00 1.89 1.80 0.00 1.62 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.61 7.81 26 T 8.12 4.77 4.05 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 0.77 0.00 0.00 27 Y 9.01 4.63 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.63 5.02 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 1.11 0.00 0.00 29 I 8.84 4.58 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.73 0.91 0.00 0.00 30 T 8.58 4.88 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 31 E 9.22 4.29 0.00 1.97 1.76 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 2.19 2.28 0.00 32 G 8.61 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 33 S 8.01 4.70 0.00 3.77 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.46 4.87 0.00 1.73 1.77 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 35 R 9.09 5.06 0.00 1.87 1.81 0.00 3.30 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 36 A 9.07 5.06 1.21 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 0.00 0.00 0.00 37 V 8.95 4.66 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.86 0.00 0.00 38 I 8.80 4.75 1.92 0.00 0.00 0.83 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 0.45 0.94 0.00 0.00 39 F 9.66 5.34 0.00 3.02 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 40 I 9.03 4.60 2.00 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 1.50 1.07 0.97 0.00 0.00 41 T 8.59 4.82 4.27 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 1.32 0.00 0.00 42 K 8.84 4.27 0.00 1.90 2.00 0.00 1.59 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.38 7.81 43 R 7.96 4.39 0.00 2.17 2.22 0.00 2.93 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 44 G 6.48 4.14 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 0.00 0.00 0.00 45 L 8.29 4.97 0.00 1.79 1.53 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.96 5.24 0.00 1.90 1.96 0.00 1.84 0.00 0.00 1.80 0.00 0.00 2.65 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.45 7.81 47 V 9.26 5.09 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 0.96 0.00 0.00 0.99 0.00 0.00 48 C 9.84 5.61 0.00 3.03 3.09 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 0.00 0.00 0.00 49 A 8.73 5.14 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 50 D 9.44 5.04 0.00 2.74 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 51 P 0.00 4.99 0.00 2.10 2.12 0.00 3.87 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 52 Q 9.18 3.23 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.96 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 53 A 7.51 3.91 1.32 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 0.00 0.00 0.00 54 T 7.26 4.38 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 1.21 0.00 0.00 55 W 8.56 4.30 0.00 3.31 3.21 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 0.00 56 V 8.26 4.48 2.11 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 0.80 0.00 0.00 1.03 0.00 0.00 57 R 8.23 4.36 0.00 1.87 1.86 0.00 3.28 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 58 D 8.43 4.57 0.00 2.79 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 3.50 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 0.80 0.00 0.00 0.99 0.00 0.00 60 V 8.12 4.05 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 0.72 0.00 0.00 0.94 0.00 0.00