NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3143 8.3033 120.2215 56.4606 31.7733 177.2442 3 I 3.6552 7.4825 118.0029 62.6409 36.6943 176.1720 4 T 4.0747 8.5862 118.1167 65.6785 68.7843 175.9261 5 K 4.1998 7.4518 118.1291 57.9699 32.6563 178.9326 6 T 4.1557 7.5782 116.2901 66.2086 68.6911 176.8065 7 L 3.9873 7.4497 118.9205 57.5484 41.7514 178.2136 8 L 4.4111 7.4596 115.1886 54.5066 41.7986 176.3184 9 N 4.8390 8.0458 117.4971 50.9811 41.6140 174.2800 10 I 3.6512 8.5076 128.4471 64.3871 38.0324 177.7133 11 R 3.9282 8.1818 118.6569 59.5175 29.8790 179.3009 12 S 4.1974 7.9964 114.4147 61.3089 62.8788 176.2595 13 L 4.0661 8.2254 123.3613 58.1067 41.6166 179.0012 14 R 3.8667 8.3677 117.6663 59.3342 30.2507 178.0342 15 A 4.1297 8.0171 120.4910 55.4680 18.4462 178.9725 16 Y 4.0101 8.4844 118.2333 60.7681 38.8680 177.9904 17 A 3.6769 8.3962 121.9383 55.0006 18.1160 179.7057 18 R 3.9047 7.4617 115.8102 58.7451 30.0545 177.3250 19 E 4.3098 7.4813 114.9348 56.1229 29.6939 176.0614 20 L 4.7568 7.5867 118.5668 52.8481 45.5321 176.6934 21 T 4.4190 7.9541 111.2244 60.6817 71.8665 175.9220 22 I 3.7402 8.0994 121.8139 64.4784 37.0463 178.6423 23 E 3.9793 8.0622 119.0654 59.5276 29.3937 179.1612 24 Q 4.0382 8.0704 118.1104 58.9613 28.7348 178.8652 25 L 4.0211 8.3705 120.4692 57.8406 41.6089 179.4420 26 E 4.0414 8.2320 118.6422 59.1012 29.2618 178.9892 27 E 3.9276 8.2513 119.4614 59.1541 29.6452 178.6763 28 A 3.9927 8.2421 121.0048 54.9331 18.3950 179.4211 29 L 3.9019 7.9924 118.9692 58.3942 42.1600 178.9371 30 D 4.3723 8.0740 118.8388 57.2258 40.7759 178.8862 31 K 3.9256 8.2696 119.0862 59.5140 32.1264 178.9812 32 L 3.9655 8.1964 120.7724 58.6870 41.9218 179.1491 33 T 3.8801 8.4264 115.9057 66.8672 68.3217 176.7433 34 T 3.8462 8.0077 117.7143 66.5088 68.4907 176.7900 35 V 3.5499 7.8035 120.0505 66.0797 31.4639 177.9995 36 V 3.5742 7.8620 117.8752 66.4123 31.3189 178.0577 37 Q 4.0151 8.1472 117.5429 58.9477 27.9952 178.4947 38 E 4.0882 8.4663 119.5572 58.9147 29.3091 179.0001 39 R 4.1746 7.9445 117.5103 57.7998 30.1291 178.6717 40 K 4.1486 7.6112 118.9430 58.8843 32.2628 178.6568 41 E 3.9249 8.2618 119.3150 59.0374 29.2495 178.6135 42 A 3.9899 7.5060 119.1794 54.6252 18.7152 178.9457 43 E 4.1002 7.6610 114.4338 58.6171 29.4479 178.5318 44 A 4.2761 7.7774 121.1369 54.1353 18.5352 178.3538 45 E 4.3518 7.4807 114.3471 56.5385 29.7147 176.3945 46 E 4.2351 7.5733 125.4043 56.2405 29.7924 175.3694 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 2 E 8.30 4.31 0.00 2.02 2.04 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 2.28 2.32 0.00 3 I 7.48 3.66 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.86 0.81 0.00 0.00 4 T 8.59 4.07 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 5 K 7.45 4.20 0.00 1.84 1.85 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.45 7.81 6 T 7.58 4.16 4.12 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 0.00 0.00 1.12 0.00 0.00 7 L 7.45 3.99 0.00 1.59 1.72 0.89 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.46 4.41 0.00 1.75 1.68 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.05 4.84 0.00 2.72 2.75 0.00 0.00 6.81 7.34 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 10 I 8.51 3.65 1.88 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 1.65 0.73 0.92 0.00 0.00 11 R 8.18 3.93 0.00 1.98 1.97 0.00 3.35 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 1.83 0.00 12 S 8.00 4.20 0.00 3.88 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 13 L 8.23 4.07 0.00 2.12 1.88 1.04 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.37 3.87 0.00 2.06 2.12 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 15 A 8.02 4.13 1.44 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 0.00 0.00 16 Y 8.48 4.01 0.00 3.10 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 17 A 8.40 3.68 1.39 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 0.00 0.00 18 R 7.46 3.90 0.00 1.76 1.96 0.00 3.30 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.76 0.00 19 E 7.48 4.31 0.00 2.01 1.93 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 2.04 2.04 0.00 20 L 7.59 4.76 0.00 1.59 1.48 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.95 4.42 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 22 I 8.10 3.74 1.86 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 1.62 0.79 0.90 0.00 0.00 23 E 8.06 3.98 0.00 2.05 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 2.39 2.45 0.00 24 Q 8.07 4.04 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 25 L 8.37 4.02 0.00 1.82 1.72 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.23 4.04 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 27 E 8.25 3.93 0.00 2.19 2.06 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 2.31 2.33 0.00 28 A 8.24 3.99 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 29 L 7.99 3.90 0.00 1.98 1.85 0.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.07 4.37 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.27 3.93 0.00 1.94 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.59 7.81 32 L 8.20 3.97 0.00 1.84 1.87 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.43 3.88 4.44 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 1.21 0.00 0.00 34 T 8.01 3.85 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 1.21 0.00 0.00 35 V 7.80 3.55 2.21 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 0.99 0.00 0.00 0.93 0.00 0.00 36 V 7.86 3.57 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 0.98 0.00 0.00 0.96 0.00 0.00 37 Q 8.15 4.02 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 38 E 8.47 4.09 0.00 2.14 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 2.33 2.56 0.00 39 R 7.94 4.17 0.00 2.09 1.96 0.00 3.27 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 40 K 7.61 4.15 0.00 1.85 1.84 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.67 7.81 41 E 8.26 3.92 0.00 2.12 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 2.31 2.33 0.00 42 A 7.51 3.99 1.36 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 0.00 0.00 43 E 7.66 4.10 0.00 2.00 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 0.00 2.34 2.49 0.00 44 A 7.78 4.28 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.48 4.35 0.00 2.07 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 2.53 2.38 0.00 46 E 7.57 4.24 0.00 2.13 1.91 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 2.20 2.20 0.00