NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9340 8.3393 109.7382 45.0996 0.0000 173.3349 2 S 4.0595 8.3278 114.2345 57.8462 63.7394 171.0327 3 M 2.8687 9.2805 124.2511 55.5418 30.0317 175.5453 4 S 4.2011 8.2391 115.7015 58.6917 62.6937 173.7591 5 T 4.5909 8.0675 121.8156 61.2784 70.9596 174.8880 6 K 3.9578 8.6549 127.1771 58.5408 32.6186 176.4079 7 N 4.0913 7.5854 115.8729 51.9571 40.3986 174.1570 8 F 4.8044 6.8108 119.5518 56.8279 41.5660 175.5484 9 R 4.5381 8.4853 117.8109 55.7667 29.7119 176.0181 10 V 4.5204 7.3207 114.8338 61.0755 34.7003 174.2280 11 S 4.8161 8.9706 117.8882 57.7498 64.9316 173.5284 12 D 4.4875 8.8967 120.1838 58.4266 41.3833 178.9981 13 G 3.7843 8.1641 106.4795 48.2301 0.0000 173.9245 14 D 4.6845 7.9557 119.0681 52.5052 40.3336 174.8948 15 W 5.3600 8.4473 117.7048 54.7948 32.2859 173.3874 16 I 5.3835 8.1171 112.2977 57.5908 39.6990 174.6251 17 C 3.9175 8.3873 122.6675 59.5075 31.8254 173.2914 18 P 4.0422 0.0000 0.0000 64.6320 31.7012 175.9742 19 D 4.9229 7.5207 117.4807 52.4614 42.7707 176.7653 20 K 4.3927 8.3883 122.4493 57.0857 32.8378 178.3702 21 K 4.0381 7.7865 118.0011 59.2033 31.4981 177.0731 22 C 4.0775 7.4205 117.8617 56.2332 31.8858 172.7978 23 G 3.8024 7.6857 107.0552 46.2900 0.0000 172.9929 24 N 4.2894 7.8217 118.0120 53.3385 40.3056 174.4222 25 V 4.0343 8.1892 119.1670 60.9163 31.4734 175.7108 26 N 4.0772 8.2467 123.6087 52.7096 38.8688 174.5726 27 F 3.4696 9.3951 119.7240 60.7213 39.3738 175.6143 28 A 4.5377 7.8309 133.3682 53.4259 22.8547 178.1125 29 R 4.3915 8.5461 112.7755 55.9300 28.9478 177.8673 30 R 4.6517 8.0754 116.5258 55.7353 31.9348 176.7206 31 T 4.3887 8.5180 113.2939 62.7864 70.1686 174.4276 32 S 5.2525 7.9486 116.9387 56.6532 67.0343 173.3447 33 C 4.0273 9.3427 123.0921 60.2439 31.9788 174.4370 34 D 4.4858 8.6077 122.4689 55.8765 41.2488 177.6527 35 R 4.3719 7.8318 116.2520 58.1924 31.5799 177.4522 36 C 4.1081 8.0603 113.4753 63.0528 28.3661 175.2947 37 G 4.0071 8.2456 104.6176 45.2620 0.0000 173.1646 38 R 4.3649 7.6771 118.3383 55.3632 31.5547 175.9385 39 E 4.6018 8.7161 122.0312 55.9258 30.5464 176.4624 40 K 3.6382 9.0057 125.5468 57.1759 32.4124 175.8439 41 T 4.6500 8.0192 116.3179 59.6337 71.9027 174.2315 42 T 3.7798 8.1761 117.9655 65.8092 68.7589 175.0141 43 G 4.0422 7.9904 109.1115 45.4065 0.0000 171.5936 44 P 4.5945 0.0000 0.0000 61.5536 32.8777 176.6701 45 I 4.0301 8.1209 118.8459 62.0104 37.1695 176.1489 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 G 8.34 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 0.00 0.00 0.00 2 S 8.33 4.06 0.00 4.08 3.88 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 0.00 0.00 0.00 3 M 9.28 2.87 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 4 S 8.24 4.20 0.00 3.89 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.07 4.59 4.41 0.00 0.00 0.00 0.00 0.00 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 6 K 8.65 3.96 0.00 1.66 1.75 0.00 1.71 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.38 7.81 7 N 7.59 4.09 0.00 2.49 2.54 0.00 0.00 6.91 7.29 0.00 0.00 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 F 6.81 4.80 0.00 3.10 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.49 4.54 0.00 1.84 1.95 0.00 3.41 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 10 V 7.32 4.52 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.07 0.00 0.00 11 S 8.97 4.82 0.00 3.97 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.90 4.49 0.00 2.64 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.16 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 14 D 7.96 4.68 0.00 2.80 2.66 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 0.00 0.00 0.00 0.00 15 W 8.45 5.36 0.00 3.45 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 16 I 8.12 5.38 1.72 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.91 0.89 0.00 0.00 17 C 8.39 3.92 0.00 2.92 3.04 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 0.00 0.00 0.00 0.00 18 P 0.00 4.04 0.00 2.13 2.29 0.00 3.85 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 19 D 7.52 4.92 0.00 2.60 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 20 K 8.39 4.39 0.00 1.77 1.84 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.50 7.81 21 K 7.79 4.04 0.00 1.83 1.87 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.51 7.81 22 C 7.42 4.08 0.00 2.90 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.69 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.82 4.29 0.00 2.77 2.53 0.00 0.00 6.93 7.54 0.00 0.00 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 V 8.19 4.03 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 0.78 0.00 0.00 0.87 0.00 0.00 26 N 8.25 4.08 0.00 1.44 2.25 0.00 0.00 6.48 7.18 0.00 0.00 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 F 9.40 3.47 0.00 3.03 2.93 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 28 A 7.83 4.54 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 29 R 8.55 4.39 0.00 2.02 2.16 0.00 3.01 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.65 0.00 30 R 8.08 4.65 0.00 2.31 2.46 0.00 3.54 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 31 T 8.52 4.39 4.26 0.00 0.00 0.00 0.00 0.00 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 32 S 7.95 5.25 0.00 3.77 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.34 4.03 0.00 2.97 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.61 4.49 0.00 2.61 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.83 4.37 0.00 1.72 1.91 0.00 3.33 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 36 C 8.06 4.11 0.00 3.03 2.99 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 0.00 0.00 0.00 37 G 8.25 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.68 4.36 0.00 1.87 1.92 0.00 3.20 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 39 E 8.72 4.60 0.00 1.86 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 2.34 2.26 0.00 40 K 9.01 3.64 0.00 1.31 1.44 0.00 1.32 0.00 0.00 1.22 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.58 0.21 7.81 41 T 8.02 4.65 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 1.18 0.00 0.00 42 T 8.18 3.78 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 43 G 7.99 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.59 0.00 2.07 2.04 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 45 I 8.12 4.03 1.89 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 1.30 0.79 0.94 0.00 0.00