NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2207 8.3001 120.3375 55.6641 33.3176 176.0696 2 A 4.2794 8.1492 132.1608 49.0480 17.9581 174.2598 3 T 4.0046 8.2343 111.3204 60.8656 70.1003 173.7972 4 T 4.4024 7.9866 123.0986 61.7694 70.3285 175.1675 5 T 3.9307 8.3246 120.9294 63.8671 68.1995 174.0650 6 L 4.6811 8.2717 125.9571 52.7716 44.5835 177.6215 7 G 3.8504 8.2501 109.5240 44.2311 0.0000 171.9556 8 V 4.2265 7.7648 124.1194 60.8581 33.4023 175.2688 9 K 4.3819 8.4997 126.6707 55.3509 32.7278 176.1221 10 L 4.7852 8.1502 123.1786 52.3415 45.3495 176.4387 11 D 4.6761 8.2885 120.4338 53.4307 43.6449 176.9393 12 D 4.3698 8.5599 123.5080 57.2302 40.9128 177.5319 13 P 4.3110 0.0000 0.0000 66.1748 31.3092 178.4875 14 T 3.8430 7.8340 115.1820 66.4007 68.4807 176.3715 15 R 3.9136 8.1727 120.7270 59.4769 30.0335 178.5052 16 E 4.0132 8.0057 117.9783 59.4604 29.4609 179.5173 17 R 3.9187 8.2378 118.2780 58.9810 30.1098 178.7963 18 L 3.9675 8.0192 120.2866 58.0858 41.9596 179.0468 19 K 3.9746 7.9314 118.8679 59.3870 32.0017 178.6957 20 A 3.9952 8.2501 121.1044 55.1045 18.4066 179.4791 21 A 3.9498 8.6111 119.5502 55.1385 18.3785 179.6339 22 A 4.0165 7.9276 119.3061 55.5844 18.3126 179.9305 23 Q 4.0521 7.9407 116.6237 59.1903 28.5178 179.1577 24 S 4.1733 7.6696 115.6810 60.7671 62.9565 175.4314 25 I 4.1137 7.5059 118.3318 59.6300 38.5950 174.3289 26 D 4.3970 7.7618 116.6224 56.3990 39.7762 173.0598 27 R 4.7332 8.2459 115.6215 53.6340 34.4180 176.3848 28 T 4.1086 8.2401 114.2173 61.4368 69.1269 173.5934 29 P 4.2768 0.0000 0.0000 66.2310 31.1412 178.3746 30 H 4.2988 8.2302 115.7066 59.0853 30.2737 176.6841 31 W 4.1195 8.2935 129.7782 60.2001 30.6651 177.6811 32 L 4.1312 8.4603 120.3934 57.7612 39.9388 179.0090 33 I 3.6974 7.5711 120.5046 64.2065 36.9701 178.1950 34 K 4.1767 7.7687 118.5110 59.2888 32.8105 178.9836 35 Q 4.0237 7.8672 119.2465 58.4544 28.6545 178.1078 36 A 4.0102 8.4335 122.3773 55.3322 18.2223 179.5576 37 I 3.7036 7.2514 115.1736 64.1803 38.0837 177.8849 38 F 4.1557 8.1045 121.7559 61.3420 39.1737 176.7119 39 N 4.3948 9.0736 116.9831 56.3457 38.3060 176.2577 40 Y 4.1269 8.0342 121.3584 60.8533 38.8490 178.2516 41 L 3.8156 7.6422 119.4354 57.3808 41.3947 179.1044 42 E 3.7503 7.4487 118.4447 59.0068 29.5968 178.6828 43 K 4.0802 8.1472 118.5065 58.5893 32.1502 178.4797 44 L 4.1462 7.2532 117.4184 55.3365 41.2102 176.4504 45 E 4.0506 8.0499 123.2387 56.7315 30.2167 174.0854 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 4.22 0.00 1.80 1.86 0.00 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.29 0.00 2 A 8.15 4.28 1.24 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 0.00 0.00 3 T 8.23 4.00 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 0.99 0.00 0.00 4 T 7.99 4.40 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 T 8.32 3.93 4.23 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 1.20 0.00 0.00 6 L 8.27 4.68 0.00 1.58 1.57 0.91 0.94 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 7 G 8.25 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.76 4.23 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 0.84 0.00 0.00 0.92 0.00 0.00 9 K 8.50 4.38 0.00 1.77 1.72 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.44 7.81 10 L 8.15 4.79 0.00 1.56 1.50 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.29 4.68 0.00 2.69 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.37 0.00 2.80 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 13 P 0.00 4.31 0.00 2.25 2.31 0.00 3.81 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 2.06 2.05 0.00 14 T 7.83 3.84 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 1.19 0.00 0.00 15 R 8.17 3.91 0.00 1.92 2.21 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 16 E 8.01 4.01 0.00 2.21 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 8.24 3.92 0.00 1.99 1.98 0.00 3.13 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 18 L 8.02 3.97 0.00 1.96 1.86 0.93 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.93 3.97 0.00 1.90 1.97 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 20 A 8.25 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 3.95 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 A 7.93 4.02 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.94 4.05 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 24 S 7.67 4.17 0.00 3.98 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 25 I 7.51 4.11 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.84 1.02 0.00 0.00 26 D 7.76 4.40 0.00 2.78 2.69 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 27 R 8.25 4.73 0.00 1.80 1.87 0.00 3.30 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 28 T 8.24 4.11 4.27 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 1.29 0.00 0.00 29 P 0.00 4.28 0.00 2.24 2.14 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 30 H 8.23 4.30 0.00 3.18 3.47 0.00 5.75 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.29 4.12 0.00 3.46 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 4.13 0.00 1.98 1.71 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.57 3.70 1.98 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 1.59 0.97 0.89 0.00 0.00 34 K 7.77 4.18 0.00 1.76 1.84 0.00 1.01 0.00 0.00 1.28 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.00 7.81 35 Q 7.87 4.02 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.76 0.00 36 A 8.43 4.01 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 37 I 7.25 3.70 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 1.45 1.29 1.04 0.00 0.00 38 F 8.10 4.16 0.00 3.22 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.07 4.39 0.00 2.94 3.02 0.00 0.00 7.02 7.47 0.00 0.00 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 8.03 4.13 0.00 3.18 3.22 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 0.00 41 L 7.64 3.82 0.00 1.61 1.51 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.45 3.75 0.00 1.85 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 2.27 2.25 0.00 43 K 8.15 4.08 0.00 1.80 1.79 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.66 7.81 44 L 7.25 4.15 0.00 1.65 1.57 0.75 0.10 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 45 E 8.05 4.05 0.00 2.04 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 2.16 2.32 0.00