NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.5744 8.3093 119.4897 57.5680 40.0488 176.0500 2 V 4.2917 8.5370 128.5251 60.2078 33.5599 173.4258 3 N 4.6643 9.3846 120.7120 52.5863 39.6280 175.8162 4 Q 4.5721 8.1882 120.9677 54.0994 33.0318 174.4312 5 H 4.4619 8.6616 116.5056 55.1754 28.8283 175.4301 6 L 4.6058 8.4833 125.3643 53.2000 42.6398 175.5831 7 C 4.8831 8.3375 121.5854 58.6786 32.1010 173.9307 8 G 3.9655 8.4354 112.4358 46.5911 0.0000 177.2741 9 S 4.0595 8.5643 118.4492 61.0943 63.4029 176.1629 10 H 4.2346 7.8611 118.7901 58.1937 28.2741 177.5703 11 L 3.8470 7.6179 121.9341 58.2658 42.1218 179.0803 12 V 3.2549 7.2589 112.2143 64.3816 31.4336 178.5437 13 Q 3.9763 8.0072 117.4450 59.0763 28.6227 178.9224 14 A 3.9841 7.7799 121.1843 54.9558 18.3236 179.7344 15 L 3.5415 7.4295 117.6502 57.6311 41.2893 178.7721 16 Y 4.1625 7.6085 119.5067 60.6974 38.5066 177.9398 17 L 4.0571 7.3941 118.9441 58.3203 42.2726 178.9085 18 V 3.5736 7.4007 116.4470 65.8407 31.3065 177.1510 19 C 4.3044 8.1282 116.1419 59.5328 29.0200 175.8209 20 G 3.6465 9.3267 109.8420 46.1032 0.0000 176.3936 21 E 4.0271 8.9497 121.3035 58.9093 29.4328 178.3758 22 R 3.8608 7.5399 117.6728 57.0259 30.2089 177.7792 23 G 4.0002 9.4401 103.2930 45.4330 0.0000 171.7005 24 F 4.9205 7.6391 112.1147 55.8100 40.2449 173.1421 25 F 4.9703 8.1561 115.9238 55.0503 39.8023 174.3722 26 Y 4.8139 8.8533 124.8543 56.2337 39.4569 174.8321 27 T 4.3999 7.9059 117.9452 58.4752 68.9729 172.6440 28 P 4.0897 0.0000 0.0000 66.0074 31.7785 178.6870 29 K 4.0083 7.8488 118.7372 58.8363 32.4333 176.3788 30 T 4.1097 7.4294 119.9122 63.9037 68.2990 174.1133 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 F 8.31 4.57 0.00 2.95 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.54 4.29 2.11 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 0.77 0.00 0.00 0.94 0.00 0.00 3 N 9.38 4.66 0.00 2.71 2.80 0.00 0.00 6.73 7.69 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 4 Q 8.19 4.57 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 5 H 8.66 4.46 0.00 3.11 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.48 4.61 0.00 1.58 1.57 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.34 4.88 0.00 2.97 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.44 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.56 4.06 0.00 3.92 4.05 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 0.00 0.00 0.00 10 H 7.86 4.23 0.00 3.22 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.62 3.85 0.00 1.77 1.73 0.85 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.26 3.25 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 -0.04 0.00 0.00 0.82 0.00 0.00 13 Q 8.01 3.98 0.00 2.22 2.15 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 2.56 2.48 0.00 14 A 7.78 3.98 1.27 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 0.00 0.00 15 L 7.43 3.54 0.00 0.75 0.15 0.64 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.61 4.16 0.00 3.30 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 17 L 7.39 4.06 0.00 1.79 1.74 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.40 3.57 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 0.76 0.00 0.00 0.80 0.00 0.00 19 C 8.13 4.30 0.00 3.21 3.13 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 0.00 0.00 0.00 20 G 9.33 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.95 4.03 0.00 2.08 2.10 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 2.25 2.30 0.00 22 R 7.54 3.86 0.00 1.98 2.07 0.00 3.21 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 23 G 9.44 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.64 4.92 0.00 2.89 2.96 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 25 F 8.16 4.97 0.00 3.29 3.11 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 26 Y 8.85 4.81 0.00 3.09 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.91 4.40 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 1.37 0.00 0.00 28 P 0.00 4.09 0.00 2.08 1.97 0.00 3.40 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.43 0.00 29 K 7.85 4.01 0.00 1.70 1.86 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.39 7.81 30 T 7.43 4.11 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00