NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4827 8.1633 120.3262 55.7426 34.5865 177.3514 2 T 3.8837 7.9423 116.5641 65.3758 68.4414 174.7171 3 Q 4.0042 8.8161 122.2786 59.0373 29.4977 177.6054 4 L 4.0410 7.8742 119.7363 57.7258 41.5968 179.0898 5 E 4.0029 8.6046 119.3917 59.2315 29.3666 179.2260 6 E 4.1200 8.1340 117.7887 59.4278 29.7519 179.2249 7 Q 3.9789 8.1194 119.0800 58.6722 28.7360 178.5699 8 L 3.9647 8.2865 121.7231 58.3271 42.0956 178.4568 9 H 4.1505 8.5842 118.7180 59.2865 29.6621 177.0089 10 N 4.2742 8.2368 118.3658 56.2501 38.3184 177.6150 11 V 3.5595 7.7653 119.6616 65.9370 31.6286 177.6885 12 E 3.9104 8.5070 119.4958 59.4959 29.3538 178.9382 13 T 3.7922 7.9230 115.8344 66.4741 68.4884 176.5545 14 V 3.5459 7.4763 119.9569 66.1152 31.4177 177.9453 15 R 4.6885 8.0449 119.5964 58.9870 29.8904 178.2210 16 S 4.0496 8.4346 113.1812 61.7043 62.3764 176.2740 17 I 3.7475 7.9840 122.7466 64.4734 36.8111 178.5470 18 T 3.8720 8.1326 110.7956 65.1992 68.4593 176.5159 19 M 4.1244 7.9671 121.2898 58.0171 31.8716 178.7520 20 Q 3.9632 8.1050 118.3705 58.7888 28.8256 178.4564 21 L 3.9100 8.2242 121.6635 58.2183 42.0716 178.7054 22 E 3.9513 8.1554 118.3829 59.9038 29.3668 179.2733 23 M 4.0064 8.2258 118.2943 58.4566 31.9982 178.7502 24 A 3.9563 8.2347 120.9303 55.0382 18.5286 179.7059 25 L 3.9154 8.1922 117.7631 58.1660 41.6087 179.7616 26 T 3.8086 8.0496 115.7656 66.5438 68.3647 176.4666 27 K 3.8309 8.2770 121.7332 59.2871 32.0580 178.3107 28 L 3.8362 7.7757 120.6094 58.1127 41.8887 179.0440 29 K 3.2702 7.8349 121.2306 59.8780 32.0749 179.6476 30 K 3.8993 8.1084 124.2586 59.8386 31.6271 180.5988 31 D 4.5755 8.4443 120.5828 57.4447 40.6047 178.9229 32 M 4.0976 7.8412 119.0905 58.5306 32.0328 178.6049 33 M 4.0806 8.2432 121.3936 59.2947 31.9851 179.8191 34 R 4.1244 8.2247 119.6275 60.9926 29.6233 179.9897 35 G 4.1128 7.8801 102.5171 44.9519 0.0000 174.5352 36 G 3.9890 7.9468 108.8144 46.3357 0.0000 174.2900 37 D 5.2608 8.3926 120.2481 53.0660 42.0524 178.8600 38 A 4.1462 8.2399 125.4074 56.0152 19.0053 180.1939 39 K 4.1471 8.0842 121.6976 60.1457 31.6955 180.8870 40 Q 4.3211 8.1230 118.2436 58.4298 28.6115 177.6901 41 Y 4.3402 8.1081 123.1092 61.3369 38.8365 178.5060 42 Q 3.8551 8.0742 121.4369 60.3914 27.7911 182.9906 43 V 3.6402 7.1902 111.7140 63.6193 31.6826 177.6511 44 W 4.5256 7.7246 117.4544 57.3109 29.2564 178.3745 45 Q 3.9387 7.4300 118.9693 58.7126 28.1218 178.2828 46 R 3.8551 7.8818 119.2869 59.5424 30.0648 178.0785 47 E 3.9830 8.1253 118.5003 59.1785 29.7315 178.3894 48 S 4.1357 8.4258 113.3863 61.4604 62.4534 176.2366 49 K 3.9532 8.3456 121.0134 59.4707 31.7577 179.1350 50 A 4.0128 8.1988 120.9471 55.1235 18.2154 179.5567 51 L 3.9563 8.1750 117.6014 58.1444 41.7182 179.6648 52 E 3.9804 8.4303 118.4701 59.4561 29.3575 179.6545 53 S 4.0925 8.5335 115.3507 61.5868 62.8872 176.4572 54 A 4.0150 8.3997 123.8355 55.2982 17.9834 179.7060 55 I 3.5532 8.1153 118.2333 64.5262 37.2052 178.5132 56 A 4.0832 8.0382 121.5547 55.2538 18.0877 179.8059 57 I 3.7854 7.8535 118.4118 64.5084 37.1598 178.6458 58 I 3.7133 7.9986 120.8504 64.6742 36.9012 178.0675 59 H 4.9929 8.4302 118.7176 58.5184 28.3325 177.1220 60 Y 3.9342 7.9570 119.9088 60.6939 38.7728 178.1722 61 V 3.6475 7.9708 117.5490 66.1404 30.9527 177.7307 62 A 4.1586 8.6147 120.8664 52.7111 17.8979 178.4397 63 G 3.6903 7.8825 104.6881 46.6270 0.0000 174.7672 64 D 4.4488 7.6080 118.5517 54.6073 39.9597 176.4530 65 L 4.2501 7.7422 124.0510 54.7486 41.9150 175.9940 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 M 8.16 4.48 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 2 T 7.94 3.88 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 3 Q 8.82 4.00 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 4 L 7.87 4.04 0.00 1.87 1.70 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.60 4.00 0.00 2.19 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 2.39 0.00 6 E 8.13 4.12 0.00 2.23 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 0.00 2.42 2.36 0.00 7 Q 8.12 3.98 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 8 L 8.29 3.96 0.00 2.00 1.80 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.58 4.15 0.00 3.32 3.48 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.24 4.27 0.00 2.94 2.84 0.00 0.00 6.66 7.21 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 11 V 7.77 3.56 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 0.98 0.00 0.00 0.98 0.00 0.00 12 E 8.51 3.91 0.00 2.14 2.05 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 2.31 2.38 0.00 13 T 7.92 3.79 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 14 V 7.48 3.55 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 0.99 0.00 0.00 0.97 0.00 0.00 15 R 8.04 4.69 0.00 1.96 2.09 0.00 3.39 0.00 0.00 3.18 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 16 S 8.43 4.05 0.00 4.10 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 17 I 7.98 3.75 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 1.57 0.68 0.90 0.00 0.00 18 T 8.13 3.87 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 1.23 0.00 0.00 19 M 7.97 4.12 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.60 0.00 20 Q 8.10 3.96 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 21 L 8.22 3.91 0.00 1.81 1.82 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.16 3.95 0.00 2.22 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 2.35 2.55 0.00 23 M 8.23 4.01 0.00 2.04 2.24 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 2.79 2.56 0.00 24 A 8.23 3.96 1.33 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 0.00 0.00 0.00 25 L 8.19 3.92 0.00 1.85 1.76 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.05 3.81 4.37 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 1.17 0.00 0.00 27 K 8.28 3.83 0.00 1.86 1.91 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.41 7.81 28 L 7.78 3.84 0.00 1.68 1.79 0.61 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.83 3.27 0.00 1.34 1.64 0.00 1.45 0.00 0.00 1.48 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.91 0.21 7.81 30 K 8.11 3.90 0.00 1.79 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 31 D 8.44 4.58 0.00 2.72 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 32 M 7.84 4.10 0.00 2.31 2.29 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.69 0.00 33 M 8.24 4.08 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.74 0.00 34 R 8.22 4.12 0.00 1.87 1.85 0.00 3.26 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 35 G 7.88 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 36 G 7.95 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 0.00 0.00 0.00 37 D 8.39 5.26 0.00 2.95 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.24 4.15 1.33 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 0.00 0.00 0.00 39 K 8.08 4.15 0.00 1.77 1.83 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.10 7.81 40 Q 8.12 4.32 0.00 2.36 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 41 Y 8.11 4.34 0.00 3.23 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.07 3.86 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 43 V 7.19 3.64 1.60 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 0.71 0.00 0.00 0.36 0.00 0.00 44 W 7.72 4.53 0.00 3.04 3.12 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 0.00 45 Q 7.43 3.94 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 46 R 7.88 3.86 0.00 1.83 1.89 0.00 3.14 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 47 E 8.13 3.98 0.00 2.19 2.15 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 2.46 2.43 0.00 48 S 8.43 4.14 0.00 4.23 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 49 K 8.35 3.95 0.00 2.03 1.87 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.64 7.81 50 A 8.20 4.01 1.41 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 51 L 8.18 3.96 0.00 1.90 1.75 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.43 3.98 0.00 2.20 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 2.62 2.54 0.00 53 S 8.53 4.09 0.00 4.00 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 54 A 8.40 4.01 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 55 I 8.12 3.55 2.01 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 1.42 0.79 0.82 0.00 0.00 56 A 8.04 4.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.85 3.79 2.04 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 0.76 0.95 0.00 0.00 58 I 8.00 3.71 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.63 0.88 0.00 0.00 59 H 8.43 4.99 0.00 3.38 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.96 3.93 0.00 3.04 3.24 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 0.00 61 V 7.97 3.65 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 0.89 0.00 0.00 1.07 0.00 0.00 62 A 8.61 4.16 1.33 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 0.00 0.00 0.00 63 G 7.88 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 7.61 4.45 0.00 2.86 2.95 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 65 L 7.74 4.25 0.00 1.56 1.53 0.65 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00