NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9685 8.3549 109.7391 45.9577 0.0000 173.1752 2 S 4.2721 8.0309 118.8172 57.0497 66.6290 173.4081 3 D 4.8649 8.9461 124.1403 52.9052 44.7622 175.2088 4 Y 4.4614 8.1140 117.7446 57.7255 39.1533 177.6451 5 E 4.0312 8.1404 122.1176 59.2519 29.4299 178.3838 6 F 3.8219 8.0282 115.9629 58.3893 38.9925 176.9312 7 L 3.4424 7.5093 119.7481 57.4606 41.1078 179.2713 8 K 3.9638 7.2857 116.3793 58.6658 31.9974 177.6886 9 S 4.7054 7.7176 112.7002 58.0804 63.7659 174.4603 10 W 4.8487 8.0785 121.0025 56.0901 29.8344 176.7730 11 T 4.2112 8.2183 110.7622 61.6145 70.2886 175.6373 12 V 3.6646 8.3284 121.2601 66.3144 31.4665 178.1924 13 E 4.0309 8.1378 117.9456 59.4169 29.5246 178.8998 14 D 4.4207 7.9720 119.1860 57.1214 40.9768 178.7917 15 L 4.2579 8.2531 120.5276 58.8471 40.4837 179.0445 16 Q 3.9939 8.5811 120.8946 58.9927 28.8099 178.5067 17 K 3.9841 7.9856 119.1431 59.2215 31.9802 179.6867 18 R 3.9653 7.5786 117.5434 58.9468 29.8915 178.3819 19 L 3.9428 7.7353 119.0249 58.2868 42.2523 178.7928 20 L 4.1071 8.2085 119.5317 58.8293 39.8782 178.9953 21 A 4.0418 7.8634 121.2805 54.3868 18.1329 179.2762 22 L 3.9382 7.9677 119.2206 58.2278 42.0525 178.5932 23 D 4.4379 7.9039 119.6992 56.7129 40.8966 176.4836 24 P 4.4785 0.0000 0.0000 64.7519 31.1704 178.1610 25 M 4.0114 7.7120 119.3971 58.8970 31.9701 178.3803 26 M 4.0868 7.7864 117.2099 58.0721 31.4598 178.1131 27 E 3.8660 8.2540 120.3937 59.1230 29.8811 178.4555 28 Q 3.9477 7.8284 119.0286 59.3375 29.2454 178.2108 29 E 3.9623 7.8483 119.0739 59.4514 29.4703 179.4722 30 I 3.7097 8.0397 120.1829 64.3717 37.2036 178.1010 31 E 3.9782 8.5638 118.8968 59.6409 29.1054 178.8502 32 E 3.9070 8.1838 119.9944 59.1091 29.7167 178.9088 33 I 3.8669 7.7171 119.5124 64.3833 37.1842 178.5794 34 R 3.9813 8.4452 119.3435 59.3927 29.8434 179.1741 35 Q 4.0053 8.3329 117.9750 58.7176 28.8200 178.6839 36 K 3.8666 8.3893 120.1842 60.6456 32.4260 178.7732 37 Y 4.0359 8.5469 118.8992 60.0503 37.6970 178.1796 38 Q 3.9811 8.2517 120.8703 59.2491 28.9597 178.0608 39 S 4.1171 8.1081 113.1718 61.6755 62.4122 176.1554 40 K 4.1275 7.6216 119.4064 59.1914 32.0931 179.0394 41 R 4.0959 8.3925 119.5426 58.8946 29.9794 177.8002 42 Q 3.9362 8.5506 120.3470 59.0674 29.0245 177.3207 43 P 4.3175 0.0000 0.0000 65.4585 31.2893 178.4129 44 I 3.7514 7.6320 120.2905 64.2609 37.0695 178.2122 45 L 3.9783 7.8138 119.3560 57.8924 41.3588 178.8210 46 D 4.3343 8.0662 116.5256 57.1703 41.3351 178.0698 47 A 4.0999 8.0712 121.2258 55.3118 18.3365 179.4952 48 I 3.6339 7.7771 117.0907 64.1968 37.8212 177.5693 49 E 4.1503 8.3058 117.6525 57.7551 29.3017 177.8110 50 A 4.6718 7.7034 119.6182 51.5135 19.5805 176.5499 51 K 4.1384 7.7301 124.4760 57.3028 32.4969 176.1763 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 G 8.35 3.97 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 0.00 0.00 0.00 2 S 8.03 4.27 0.00 3.92 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.95 4.86 0.00 2.44 2.44 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 0.00 0.00 0.00 0.00 4 Y 8.11 4.46 0.00 3.01 2.94 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 5 E 8.14 4.03 0.00 2.10 1.98 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 2.42 2.43 0.00 6 F 8.03 3.82 0.00 2.48 1.95 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.51 3.44 0.00 1.68 1.70 1.02 0.67 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 8 K 7.29 3.96 0.00 1.62 1.80 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.52 7.81 9 S 7.72 4.71 0.00 4.13 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 10 W 8.08 4.85 0.00 3.45 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 11 T 8.22 4.21 4.26 0.00 0.00 0.00 0.00 0.00 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 12 V 8.33 3.66 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 1.24 0.00 0.00 0.96 0.00 0.00 13 E 8.14 4.03 0.00 2.06 1.99 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 2.41 2.41 0.00 14 D 7.97 4.42 0.00 2.84 2.77 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 0.00 0.00 0.00 15 L 8.25 4.26 0.00 2.03 2.10 0.96 0.64 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 16 Q 8.58 3.99 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 17 K 7.99 3.98 0.00 2.13 1.88 0.00 1.61 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.54 7.81 18 R 7.58 3.97 0.00 2.16 1.95 0.00 3.44 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.92 0.00 19 L 7.74 3.94 0.00 1.66 1.81 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.21 4.11 0.00 1.95 1.92 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.86 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 3.94 0.00 2.00 1.65 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 23 D 7.90 4.44 0.00 2.82 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.48 0.00 2.26 2.30 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.05 0.00 25 M 7.71 4.01 0.00 2.05 2.20 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 2.59 2.78 0.00 26 M 7.79 4.09 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.64 0.00 27 E 8.25 3.87 0.00 2.16 1.98 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 2.31 2.32 0.00 28 Q 7.83 3.95 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 29 E 7.85 3.96 0.00 2.06 1.99 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 2.34 2.51 0.00 30 I 8.04 3.71 2.00 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 1.57 0.51 0.91 0.00 0.00 31 E 8.56 3.98 0.00 2.16 2.23 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 2.59 2.34 0.00 32 E 8.18 3.91 0.00 2.21 2.18 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 2.32 2.36 0.00 33 I 7.72 3.87 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.66 1.10 0.00 0.00 34 R 8.45 3.98 0.00 1.99 2.01 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 35 Q 8.33 4.01 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 36 K 8.39 3.87 0.00 1.88 2.23 0.00 1.22 0.00 0.00 1.54 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.19 7.81 37 Y 8.55 4.04 0.00 3.12 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 38 Q 8.25 3.98 0.00 2.23 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 39 S 8.11 4.12 0.00 4.00 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 40 K 7.62 4.13 0.00 1.92 1.84 0.00 1.62 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.38 1.49 7.81 41 R 8.39 4.10 0.00 2.03 1.95 0.00 3.14 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 42 Q 8.55 3.94 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 43 P 0.00 4.32 0.00 2.30 2.30 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 44 I 7.63 3.75 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.87 0.92 0.00 0.00 45 L 7.81 3.98 0.00 1.69 1.72 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.07 4.33 0.00 2.65 2.84 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 0.00 0.00 0.00 47 A 8.07 4.10 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.78 3.63 1.87 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 1.33 0.98 0.00 0.00 49 E 8.31 4.15 0.00 2.08 1.99 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 2.49 2.47 0.00 50 A 7.70 4.67 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 51 K 7.73 4.14 0.00 1.71 1.69 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.49 7.81