NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3751 8.1593 117.3761 63.9610 69.8551 172.5791 4 T 4.5373 8.0793 113.1199 60.1892 71.8501 171.3623 5 T 4.5466 8.5241 118.5024 61.9002 71.8315 174.6951 6 M 4.6608 8.4958 125.4871 53.3976 34.6807 175.2793 7 G 3.9253 8.3878 113.2752 44.7827 0.0000 173.4971 8 V 4.3141 8.0229 120.8104 59.6270 33.6010 174.9774 9 M 4.3360 8.6353 124.8946 54.3026 32.6097 175.6141 10 L 4.7399 8.2238 123.3963 52.1703 45.1426 176.8727 11 D 4.6599 8.4296 123.1404 52.9141 41.6919 177.1757 12 D 4.3076 8.5533 119.5060 57.3486 40.8194 178.8185 13 A 3.9888 7.9614 120.7892 55.5886 18.3588 179.7219 14 T 3.8332 8.7454 114.5580 66.7360 68.4636 176.9960 15 R 3.8736 8.1974 120.7706 59.3946 30.0401 178.4575 16 E 3.9507 8.5486 118.7344 59.3771 29.4015 179.2286 17 R 3.9262 7.9845 118.0791 59.4898 30.1642 179.0218 18 I 3.7750 8.1085 121.7783 65.0522 37.1983 179.2266 19 K 3.9873 8.3667 124.7370 59.9516 31.5228 181.2192 20 S 4.2965 8.5549 116.7156 61.3560 62.2903 176.5945 21 A 4.0080 8.3394 123.5597 55.2308 18.0473 179.6039 22 A 4.1794 8.2437 119.2689 55.5760 18.4568 179.9550 23 T 3.7563 8.0220 114.2672 66.8993 68.2983 176.8037 24 R 4.0219 7.8686 119.1260 58.3022 30.0421 177.5047 25 I 4.2494 6.7097 110.2062 59.8069 37.9293 174.8096 26 D 4.2204 7.7200 117.5415 56.2181 39.7470 172.2884 27 R 4.4380 7.9369 115.3506 53.9779 34.3790 175.4609 28 T 4.6514 7.9518 108.4038 59.4805 72.2595 173.3165 29 P 4.2806 0.0000 0.0000 66.5172 31.3479 178.4653 30 H 4.2482 8.2391 114.0635 58.6029 28.5584 177.3722 31 W 4.0954 8.2592 129.6734 60.4484 30.5138 177.6174 32 L 4.1062 8.5056 120.2589 58.4322 41.5702 179.0028 33 I 3.7037 8.0553 119.7733 64.3646 37.0077 178.6262 34 K 4.0057 8.0194 119.3344 59.3802 31.7999 179.0583 35 Q 3.7102 7.9439 119.8130 59.0834 28.8345 178.3687 36 A 3.9819 8.2699 122.0087 55.2021 18.3915 179.6811 37 I 3.5599 7.7033 118.2013 64.5820 37.2017 178.7978 38 F 4.0181 8.2739 118.6386 60.4303 38.7492 177.4890 39 S 4.2766 8.3789 113.0412 61.7835 62.1088 175.7650 40 Y 3.9648 8.2028 121.9114 60.7214 38.3449 177.8898 41 L 3.9885 7.9386 118.8113 57.8776 41.7689 179.0872 42 E 4.1294 8.1220 117.6262 59.4859 29.4557 179.1167 43 Q 4.1622 7.7885 117.2883 58.0697 30.0633 178.3846 44 L 4.2035 7.0998 120.6733 51.8068 38.0250 176.9775 45 E 4.6205 8.2750 119.6751 55.6993 29.0012 177.5394 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 3 T 8.16 4.38 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 4 T 8.08 4.54 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 5 T 8.52 4.55 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 6 M 8.50 4.66 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 7 G 8.39 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 0.00 0.00 0.00 8 V 8.02 4.31 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 0.80 0.00 0.00 0.90 0.00 0.00 9 M 8.64 4.34 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 10 L 8.22 4.74 0.00 1.57 1.52 0.91 1.10 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 11 D 8.43 4.66 0.00 2.94 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.55 4.31 0.00 2.71 2.76 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 0.00 0.00 0.00 13 A 7.96 3.99 1.31 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 0.00 0.00 0.00 14 T 8.75 3.83 4.39 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 1.20 0.00 0.00 15 R 8.20 3.87 0.00 1.99 1.92 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 16 E 8.55 3.95 0.00 2.18 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 2.33 2.50 0.00 17 R 7.98 3.93 0.00 2.17 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 1.67 1.70 0.00 18 I 8.11 3.78 2.03 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 1.40 0.74 0.94 0.00 0.00 19 K 8.37 3.99 0.00 1.73 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.36 7.81 20 S 8.55 4.30 0.00 3.83 3.94 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 21 A 8.34 4.01 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 22 A 8.24 4.18 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.02 3.76 4.40 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 1.19 0.00 0.00 24 R 7.87 4.02 0.00 2.01 2.01 0.00 3.12 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 25 I 6.71 4.25 1.73 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 1.37 0.41 0.89 0.00 0.00 26 D 7.72 4.22 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.94 4.44 0.00 1.36 1.28 0.00 2.21 0.00 0.00 2.63 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.00 28 T 7.95 4.65 4.30 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 1.24 0.00 0.00 29 P 0.00 4.28 0.00 2.11 2.16 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 30 H 8.24 4.25 0.00 3.26 3.39 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.26 4.10 0.00 3.46 3.40 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 32 L 8.51 4.11 0.00 2.16 2.03 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.06 3.70 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 0.90 0.00 0.00 34 K 8.02 4.01 0.00 1.81 1.96 0.00 1.71 0.00 0.00 1.61 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.71 1.63 7.81 35 Q 7.94 3.71 0.00 1.25 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.01 2.23 0.00 36 A 8.27 3.98 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 37 I 7.70 3.56 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.58 0.50 0.00 0.00 38 F 8.27 4.02 0.00 3.15 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 39 S 8.38 4.28 0.00 3.94 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 40 Y 8.20 3.96 0.00 3.23 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 41 L 7.94 3.99 0.00 1.78 1.70 0.60 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.12 4.13 0.00 2.12 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 2.39 2.58 0.00 43 Q 7.79 4.16 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.40 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 44 L 7.10 4.20 0.00 1.66 1.54 0.87 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 45 E 8.28 4.62 0.00 2.14 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 0.00 2.19 2.05 0.00