NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.9236 8.3501 109.7644 44.8792 0.0000 173.0752 -1 A 3.9301 8.2162 121.6027 51.5340 18.7832 175.6571 0 M 4.2831 8.5943 121.3531 57.2227 33.4220 175.4932 1 G 4.0631 9.1026 110.2912 45.2161 0.0000 174.0423 2 S 4.4871 7.7657 111.4987 58.7894 64.6146 173.1256 3 H 4.6091 8.1692 120.7124 54.3493 30.2760 173.6398 4 P 4.4629 0.0000 0.0000 63.2648 32.2825 175.4012 5 M 4.9737 8.4598 122.9345 53.5309 34.4015 175.5814 6 C 4.2799 8.9851 122.3468 59.1145 32.4117 174.8574 7 K 4.0579 8.6794 127.7984 59.3662 32.2085 177.5515 8 E 4.0549 8.2133 118.5119 58.3023 29.9670 175.8196 9 H 4.8124 7.7155 117.0634 53.2279 28.7338 173.9272 10 E 4.2116 8.4538 122.8037 58.1314 29.6402 177.8411 11 D 4.7383 8.0522 116.0112 54.0573 41.5975 175.3788 12 E 4.7497 8.2472 121.0015 54.1172 31.8093 175.9184 13 K 4.4481 8.6201 123.8423 56.1969 33.1824 176.9358 14 I 4.0922 8.6632 125.3008 61.9675 37.2331 175.4633 15 N 5.2286 8.9934 123.2421 52.0464 39.3415 173.4038 16 I 5.1647 8.1202 112.9193 59.5909 41.9668 173.1665 17 Y 4.8688 9.2018 123.5583 55.8159 41.4248 173.8712 18 C 4.3300 8.5414 128.0687 58.6197 31.8274 174.0393 19 L 4.0592 8.5771 127.9041 58.1167 41.3885 179.3391 20 T 3.9947 8.0031 114.8770 66.4770 68.5381 175.1757 21 C 4.2776 7.8540 115.8611 59.1857 29.2973 173.0329 22 E 3.6706 7.7785 117.6208 56.2935 27.0427 174.5696 23 V 4.6806 6.3719 109.9495 58.8602 36.6909 174.7505 24 P 4.8729 0.0000 0.0000 63.7613 32.7170 175.5869 25 T 4.6104 8.6231 114.7839 61.9384 70.9237 171.7228 26 C 5.3708 8.5279 114.3277 55.9794 32.6149 174.8750 27 S 4.1672 8.6819 115.8553 61.6978 62.3462 176.6280 28 M 4.0823 7.9295 122.1556 58.3169 31.8696 178.1506 29 C 4.2740 8.0297 116.5637 62.4807 28.3082 175.8805 30 K 3.9671 7.7830 121.2792 59.2932 31.6189 179.1815 31 V 3.3539 7.7224 117.7141 65.0636 31.5270 176.4949 32 F 5.0462 8.4614 113.4304 56.6321 41.7005 175.4555 33 G 4.4695 7.6153 111.3731 44.7378 0.0000 174.2588 34 I 3.8561 8.4698 113.3057 63.2239 38.2342 176.3896 35 H 4.7852 7.9822 118.2860 55.4519 28.7238 176.7047 36 K 4.5659 8.0724 122.7692 58.8359 31.9089 177.5751 37 A 4.3271 7.8047 118.3558 52.7211 19.1455 176.8557 38 C 4.4386 7.6981 113.8428 58.6570 29.4694 172.7460 39 E 4.3283 8.8632 123.9261 56.0992 30.2140 175.9656 40 V 5.1092 8.3376 118.4551 59.7874 36.2625 174.3282 41 A 4.8126 8.8860 122.1916 49.7057 22.8181 174.2135 42 P 4.5802 0.0000 0.0000 62.7376 31.7118 176.9521 43 L 4.0840 8.3066 123.1933 58.6970 42.2525 175.9685 44 Q 4.2044 9.3982 112.0264 55.3814 29.7536 173.3548 45 S 4.0639 8.6251 114.7070 59.8416 63.0713 172.3492 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 -2 G 8.35 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.22 3.93 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 0 M 8.59 4.28 0.00 2.02 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 2.62 2.51 0.00 1 G 9.10 4.06 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 0.00 0.00 0.00 2 S 7.77 4.49 0.00 3.80 3.98 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 3 H 8.17 4.61 0.00 3.47 3.18 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.46 0.00 2.15 1.98 0.00 3.55 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 5 M 8.46 4.97 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 6 C 8.99 4.28 0.00 2.97 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 7 K 8.68 4.06 0.00 1.77 1.83 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.43 7.81 8 E 8.21 4.05 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.98 0.00 9 H 7.72 4.81 0.00 3.29 3.24 0.00 5.88 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.45 4.21 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 11 D 8.05 4.74 0.00 2.68 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 12 E 8.25 4.75 0.00 1.99 1.85 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 2.27 2.40 0.00 13 K 8.62 4.45 0.00 1.50 1.34 0.00 1.63 0.00 0.00 1.38 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.40 7.81 14 I 8.66 4.09 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 1.04 0.00 0.00 15 N 8.99 5.23 0.00 2.72 2.98 0.00 0.00 5.68 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.12 5.16 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.12 0.92 0.00 0.00 17 Y 9.20 4.87 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 C 8.54 4.33 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.58 4.06 0.00 1.72 1.76 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.00 3.99 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 1.20 0.00 0.00 21 C 7.85 4.28 0.00 2.87 2.95 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 0.00 0.00 0.00 22 E 7.78 3.67 0.00 2.13 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 0.00 2.40 2.22 0.00 23 V 6.37 4.68 2.04 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 0.74 0.00 0.00 0.81 0.00 0.00 24 P 0.00 4.87 0.00 2.15 2.23 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 25 T 8.62 4.61 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 1.02 0.00 0.00 26 C 8.53 5.37 0.00 3.29 3.02 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 0.00 0.00 0.00 27 S 8.68 4.17 0.00 4.06 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 M 7.93 4.08 0.00 1.91 1.77 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.57 0.00 29 C 8.03 4.27 0.00 3.23 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 30 K 7.78 3.97 0.00 1.80 1.91 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.41 7.81 31 V 7.72 3.35 1.43 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 -0.41 0.00 0.00 0.77 0.00 0.00 32 F 8.46 5.05 0.00 3.17 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 33 G 7.62 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.47 3.86 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.21 0.89 0.00 0.00 35 H 7.98 4.79 0.00 3.24 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.07 4.57 0.00 1.83 1.84 0.00 1.77 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.31 7.81 37 A 7.80 4.33 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 38 C 7.70 4.44 0.00 3.08 2.85 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 39 E 8.86 4.33 0.00 2.03 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 40 V 8.34 5.11 2.12 0.00 0.00 0.00 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 0.91 0.00 0.00 41 A 8.89 4.81 1.25 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 0.00 0.00 0.00 42 P 0.00 4.58 0.00 2.10 2.01 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 43 L 8.31 4.08 0.00 1.60 1.74 1.01 1.05 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 44 Q 9.40 4.20 0.00 2.11 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.19 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 45 S 8.63 4.06 0.00 4.01 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00