NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4919 8.3044 118.1909 54.9392 32.9433 175.3630 2 T 4.3660 7.5338 112.9914 61.9997 69.2560 172.0441 3 E 4.0271 9.0219 120.3857 58.1064 30.1800 176.5771 4 E 4.1911 7.4934 120.2065 57.2085 29.1438 179.3409 5 M 3.5126 7.3162 118.4170 58.1197 33.6009 178.3036 6 L 4.2057 9.0943 120.2452 56.7423 41.8451 180.9177 7 Y 3.2709 7.3014 112.9653 58.1592 39.1708 178.0387 8 A 3.7357 9.0587 113.5688 56.4032 18.5197 182.0158 9 A 3.3352 8.2230 117.0042 50.7764 21.4223 178.9498 10 L 3.8135 8.3902 114.2302 57.9709 41.7619 180.2731 11 L 4.1078 8.5140 118.9147 57.6498 41.3262 179.5666 12 S 4.1792 8.4965 113.8250 62.2864 63.1382 175.7301 13 F 3.7930 8.6464 122.9319 61.7938 38.8905 177.1038 14 G 4.0697 9.4040 105.3576 48.3183 0.0000 175.1541 15 L 4.1970 9.4903 121.5189 57.4259 40.8124 179.3745 16 I 3.6162 8.0931 120.4189 64.6311 36.9498 177.7650 17 F 4.5754 8.1911 117.6704 61.0731 38.7296 177.4936 18 V 4.0123 8.0540 117.2112 66.3578 31.2282 178.2861 19 G 3.7836 8.7663 105.3104 47.7524 0.0000 174.8223 20 W 4.6954 9.6417 131.4614 60.8071 30.4167 178.2812 21 G 3.4315 9.5003 106.2729 47.6470 0.0000 174.9782 22 L 3.9278 8.9964 124.3746 58.9364 41.8232 178.5588 23 G 3.7811 9.1430 106.3619 46.1538 0.0000 176.4358 24 V 3.5086 8.6694 119.4919 64.9150 32.3390 178.1310 25 L 3.9270 9.4119 121.4810 58.3191 41.7651 179.3430 26 L 3.7689 7.7685 119.9882 57.7241 42.7194 178.7356 27 L 4.1417 8.1988 119.4365 58.0044 41.5545 179.1966 28 K 3.8786 8.2764 118.4017 59.9102 31.9357 178.7981 29 I 3.7264 7.9849 117.9980 63.1589 38.0555 176.4776 30 Q 4.5856 7.9796 116.5693 57.3043 30.0768 175.6107 31 G 4.0824 7.5260 109.7315 44.8486 0.0000 173.6379 32 A 4.0833 8.0240 128.2764 52.7796 19.1167 177.2551 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 8.30 4.49 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 2 T 7.53 4.37 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 1.21 0.00 0.00 3 E 9.02 4.03 0.00 1.89 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 2.29 2.23 0.00 4 E 7.49 4.19 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 5 M 7.32 3.51 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.66 0.00 6 L 9.09 4.21 0.00 1.89 1.69 0.95 1.10 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 7 Y 7.30 3.27 0.00 3.50 3.10 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 0.00 0.00 0.00 0.00 8 A 9.06 3.74 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 9 A 8.22 3.34 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 3.81 0.00 1.52 1.65 0.81 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.51 4.11 0.00 1.68 1.71 0.79 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.50 4.18 0.00 4.02 4.10 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 0.00 0.00 0.00 0.00 13 F 8.65 3.79 0.00 3.37 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 14 G 9.40 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 0.00 0.00 0.00 15 L 9.49 4.20 0.00 1.92 1.80 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.09 3.62 1.82 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.75 0.39 0.00 0.00 17 F 8.19 4.58 0.00 3.69 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 18 V 8.05 4.01 2.30 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 1.06 0.00 0.00 1.10 0.00 0.00 19 G 8.77 3.78 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 0.00 0.00 0.00 20 W 9.64 4.70 0.00 3.40 3.37 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 0.00 21 G 9.50 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.00 3.93 0.00 1.92 1.76 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 23 G 9.14 3.78 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 0.00 0.00 0.00 24 V 8.67 3.51 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 1.07 0.00 0.00 1.14 0.00 0.00 25 L 9.41 3.93 0.00 1.68 1.69 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.77 3.77 0.00 2.05 1.64 0.93 1.21 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 27 L 8.20 4.14 0.00 1.97 1.69 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.28 3.88 0.00 1.93 1.88 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.48 7.81 29 I 7.98 3.73 1.88 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 1.58 0.62 0.99 0.00 0.00 30 Q 7.98 4.59 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 31 G 7.53 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.02 4.08 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