NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5219 8.3044 120.3270 55.2029 34.2377 175.3413 2 L 4.4059 8.1292 131.0868 54.0768 40.7689 172.1452 3 E 4.7978 8.2737 116.1984 56.5330 36.4918 175.0608 4 P 4.1697 0.0000 0.0000 65.8941 31.9244 178.0105 5 F 4.0755 8.1113 120.9013 59.5710 39.4811 176.0667 6 Q 3.9406 7.7267 118.6223 59.8615 28.6706 177.9049 7 I 3.6367 7.6923 119.7210 63.9039 38.1661 178.1525 8 L 3.6974 7.4115 121.4285 58.0527 41.6634 178.8713 9 S 4.0661 7.1137 112.7818 61.4820 63.0408 176.1901 10 I 3.8285 7.6396 122.7676 64.2378 37.0714 177.9822 11 S 4.1487 7.9954 116.1120 62.0641 62.6980 177.2469 12 S 4.1583 7.9381 115.9804 61.4596 62.5166 176.3251 13 F 4.1348 8.6138 124.5546 61.1098 39.0548 177.0491 14 I 3.5862 7.8629 118.9311 64.4300 36.9827 178.0135 15 L 3.9424 7.7993 120.8083 57.8593 41.9755 178.8280 16 S 4.0396 8.1485 114.4327 61.7321 62.6864 176.6047 17 A 4.0024 7.4676 124.0258 54.2517 18.1519 179.1918 18 L 3.9383 8.1631 119.2983 58.5188 42.0900 178.9016 19 H 4.1612 8.7842 118.5106 59.1681 30.0483 176.9937 20 F 4.0897 8.1390 122.0110 61.3355 39.2883 176.9413 21 I 3.6996 8.6364 118.3295 64.1191 37.8452 177.7123 22 A 4.0057 8.2562 121.8220 54.7474 18.0688 179.3622 23 W 4.0264 8.6782 127.2723 61.0685 30.5565 178.4000 24 T 3.6355 7.4166 113.9724 66.3242 67.9279 176.4955 25 I 3.9657 7.4666 121.4518 64.1707 37.4612 178.5895 26 G 3.4933 8.5331 106.7307 47.9149 0.0000 174.8430 27 H 3.4346 7.8863 120.6751 59.0339 29.5224 177.0712 28 L 3.8504 7.4945 120.3611 57.9505 41.2681 179.0723 29 N 4.1885 7.9608 116.2684 56.3375 38.1871 177.1222 30 Q 3.8048 7.6200 120.1424 58.4935 30.3076 177.3971 31 I 4.1522 6.8512 113.2176 59.0405 36.7558 174.2286 32 K 4.4976 7.4975 122.8087 57.0534 40.3500 175.1081 33 R 4.0852 7.8622 122.2088 56.7237 30.7467 176.1981 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 4.52 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 L 8.13 4.41 0.00 1.72 1.47 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.27 4.80 0.00 1.99 1.82 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 2.24 2.25 0.00 4 P 0.00 4.17 0.00 2.33 2.29 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.00 0.00 5 F 8.11 4.08 0.00 3.15 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 6 Q 7.73 3.94 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.47 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 7 I 7.69 3.64 1.84 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 1.35 1.15 0.91 0.00 0.00 8 L 7.41 3.70 0.00 1.25 0.41 0.73 0.46 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 9 S 7.11 4.07 0.00 4.16 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 I 7.64 3.83 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.86 0.94 0.00 0.00 11 S 8.00 4.15 0.00 3.97 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 12 S 7.94 4.16 0.00 4.10 4.13 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 13 F 8.61 4.13 0.00 3.11 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 14 I 7.86 3.59 1.99 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.87 0.91 0.00 0.00 15 L 7.80 3.94 0.00 1.78 1.77 0.93 0.79 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 16 S 8.15 4.04 0.00 3.97 4.16 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 17 A 7.47 4.00 1.11 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 18 L 8.16 3.94 0.00 1.86 1.70 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 19 H 8.78 4.16 0.00 3.22 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.14 4.09 0.00 3.25 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 21 I 8.64 3.70 2.07 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 1.53 1.49 1.01 0.00 0.00 22 A 8.26 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 23 W 8.68 4.03 0.00 3.24 2.98 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 0.00 0.00 0.00 24 T 7.42 3.64 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 1.13 0.00 0.00 25 I 7.47 3.97 1.92 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 1.41 1.54 0.86 0.00 0.00 26 G 8.53 3.49 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 0.00 27 H 7.89 3.43 0.00 2.06 2.87 0.00 5.61 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 28 L 7.49 3.85 0.00 1.65 1.63 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.96 4.19 0.00 2.76 2.79 0.00 0.00 6.51 6.70 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 30 Q 7.62 3.80 0.00 1.80 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.51 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 31 I 6.85 4.15 1.82 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 1.14 0.77 0.84 0.00 0.00 32 K 7.50 4.50 0.00 1.76 1.79 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.41 7.81 33 R 7.86 4.09 0.00 1.88 1.83 0.00 3.22 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 1.54 1.64 0.00