NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4382 8.2644 123.5846 51.7667 20.5373 177.7083 3 R 4.1578 8.6126 126.8019 56.7204 29.7575 176.3487 4 K 4.1605 9.5839 119.2603 59.5072 32.5823 176.3384 5 A 4.0305 8.1984 119.8624 54.2288 18.0076 178.1319 6 L 4.3475 8.3449 117.7471 55.5996 43.7468 178.0185 7 I 3.9410 7.5440 113.0352 63.7883 37.6255 177.7072 8 E 3.9093 8.4874 121.4221 58.8682 29.4781 178.5030 9 K 3.7297 7.3453 117.0079 58.6106 32.3622 177.2907 10 A 4.0310 7.2856 119.3527 54.5253 19.2007 178.6916 11 K 3.8617 8.5954 117.5423 58.8228 32.2759 177.2954 12 R 4.2476 7.6497 115.1702 54.9387 28.8331 176.3921 13 T 3.9004 8.6995 121.0276 65.7427 68.7502 172.7607 14 P 3.8760 0.0000 0.0000 60.8306 32.8233 171.6837 15 K 2.7265 7.8582 127.5163 57.6517 31.8049 176.9192 16 F 3.6480 7.0420 116.8200 57.6769 36.3778 176.5016 17 K 3.8956 8.8156 129.5335 60.2425 32.2897 179.0042 18 V 3.5872 8.1695 111.5770 64.6985 31.1402 177.3575 19 R 3.8113 7.6716 114.9758 59.6539 30.4306 176.2045 20 A 3.6630 7.2592 115.9632 51.2419 18.5896 176.1059 21 Y 4.9943 7.5175 120.8191 54.7812 41.5607 175.1342 22 T 4.1379 8.3329 108.9477 62.7947 70.0376 173.1435 23 R 5.0944 8.7331 132.2853 56.2787 31.0734 174.2576 24 C 4.1218 8.2861 124.4849 56.7830 44.0100 175.3936 25 V 3.3815 8.9694 127.3573 65.6180 31.2446 176.9060 26 R 4.2124 7.7432 119.0713 58.8361 30.5722 177.9425 27 C 4.3448 8.0573 114.8474 58.5407 40.5366 175.1126 28 G 3.8977 7.8760 106.0502 44.7944 0.0000 173.6032 29 R 4.0090 7.8525 120.1349 56.3054 30.6719 176.7000 30 A 4.5043 8.5477 126.0280 52.9293 19.8717 177.5217 31 R 4.4485 7.8622 113.9639 55.5859 32.5416 175.9455 32 S 3.5282 8.3239 112.4909 59.4419 60.3175 172.2554 33 V 4.6455 7.3020 118.4434 61.0632 32.1371 174.6367 34 Y 4.1466 9.2675 126.8857 57.9669 37.5917 177.1218 35 R 4.0355 9.0049 124.9359 59.5581 29.9113 177.7073 36 F 3.8793 8.2358 117.0602 62.1073 39.5473 176.3509 37 F 4.4286 8.6456 119.7947 58.7805 39.4113 176.2197 38 G 3.9330 9.6468 109.0809 46.5837 0.0000 172.6745 39 L 5.1364 7.9283 117.5021 52.3082 45.8573 174.5687 40 C 5.1732 8.3919 114.3304 54.1797 41.3137 174.9785 41 R 3.4766 8.2853 118.9406 58.7417 29.5121 178.0492 42 I 3.8544 7.6453 118.6968 63.8882 38.1692 178.2268 43 C 3.8287 7.7703 116.7987 60.7468 41.2740 175.3998 44 L 3.5989 8.3663 121.5346 57.4758 41.2039 179.0758 45 R 3.7225 7.6491 117.2448 59.8496 30.4031 178.1508 46 E 3.9006 8.3618 117.9825 59.3410 29.6740 178.8020 47 L 4.0239 8.1361 118.4133 59.1533 41.8733 179.6410 48 A 3.5224 8.4417 116.7300 54.9586 18.3653 178.9764 49 H 3.8079 8.2043 116.4389 58.6478 29.3186 177.5443 50 K 4.2189 8.5146 119.8144 57.6064 32.4191 178.0852 51 G 4.1003 8.6996 106.4632 45.5026 0.0000 174.2895 52 Q 4.2118 7.8947 116.9167 55.8841 28.4883 175.9203 53 L 4.7093 7.8276 118.7740 51.9951 43.4873 174.2947 54 P 4.1842 0.0000 0.0000 63.9578 31.6358 177.0304 55 G 3.8841 8.8057 109.5958 46.0228 0.0000 172.9895 56 V 4.0913 7.4445 120.0144 61.3492 32.1027 175.3913 57 R 4.5581 8.2149 126.4552 53.7356 33.0074 174.3057 58 K 3.7847 8.8089 125.4927 56.7667 32.4661 176.2934 59 A 4.4348 8.5133 128.8542 52.5296 19.2489 176.9115 60 S 4.5227 8.3967 113.8431 58.0279 66.6880 175.5372 61 W 4.3391 8.3762 122.1133 57.2211 27.2083 174.1473 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 A 8.26 4.44 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 3 R 8.61 4.16 0.00 1.99 1.22 0.00 3.24 0.00 0.00 3.35 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 4 K 9.58 4.16 0.00 1.85 1.86 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.57 7.81 5 A 8.20 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.34 4.35 0.00 1.70 1.96 1.00 1.11 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 7 I 7.54 3.94 1.90 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 1.70 0.66 0.99 0.00 0.00 8 E 8.49 3.91 0.00 2.18 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 2.30 2.35 0.00 9 K 7.35 3.73 0.00 2.01 1.90 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 10 A 7.29 4.03 0.98 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 0.00 0.00 11 K 8.60 3.86 0.00 1.76 1.85 0.00 2.22 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.51 7.81 12 R 7.65 4.25 0.00 1.88 1.95 0.00 3.03 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 13 T 8.70 3.90 4.20 0.00 0.00 0.00 0.00 0.00 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 14 P 0.00 3.88 0.00 1.99 1.87 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 15 K 7.86 2.73 0.00 1.68 1.28 0.00 0.61 0.00 0.00 0.84 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.07 1.14 7.81 16 F 7.04 3.65 0.00 3.24 3.39 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 17 K 8.82 3.90 0.00 1.96 2.14 0.00 1.55 0.00 0.00 1.85 0.00 0.00 3.16 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.56 7.81 18 V 8.17 3.59 2.13 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 0.76 0.00 0.00 1.05 0.00 0.00 19 R 7.67 3.81 0.00 2.07 2.12 0.00 3.33 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.90 0.00 20 A 7.26 3.66 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.52 4.99 0.00 3.07 2.92 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 22 T 8.33 4.14 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 23 R 8.73 5.09 0.00 1.90 2.02 0.00 3.52 0.00 0.00 3.44 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 24 C 8.29 4.12 0.00 3.20 3.06 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 25 V 8.97 3.38 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 0.80 0.00 0.00 1.02 0.00 0.00 26 R 7.74 4.21 0.00 1.83 1.91 0.00 3.29 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 27 C 8.06 4.34 0.00 3.02 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 28 G 7.88 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 0.00 0.00 0.00 29 R 7.85 4.01 0.00 1.89 1.85 0.00 3.19 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 30 A 8.55 4.50 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.86 4.45 0.00 1.84 1.89 0.00 3.37 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 32 S 8.32 3.53 0.00 4.03 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.30 4.65 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.10 0.00 0.00 34 Y 9.27 4.15 0.00 3.26 3.18 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 0.00 0.00 0.00 0.00 35 R 9.00 4.04 0.00 1.88 2.07 0.00 3.25 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 36 F 8.24 3.88 0.00 3.04 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 37 F 8.65 4.43 0.00 3.29 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 38 G 9.65 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 39 L 7.93 5.14 0.00 1.66 1.52 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.39 5.17 0.00 3.15 3.25 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 41 R 8.29 3.48 0.00 2.01 2.42 0.00 2.79 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 42 I 7.65 3.85 1.85 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 1.63 0.86 0.88 0.00 0.00 43 C 7.77 3.83 0.00 3.13 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 44 L 8.37 3.60 0.00 1.31 1.36 0.56 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.65 3.72 0.00 1.85 1.82 0.00 3.13 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 46 E 8.36 3.90 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 47 L 8.14 4.02 0.00 1.65 1.69 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.44 3.52 1.23 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 0.00 0.00 0.00 49 H 8.20 3.81 0.00 3.28 3.42 0.00 5.85 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.51 4.22 0.00 1.83 1.87 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.69 7.81 51 G 8.70 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 0.00 0.00 0.00 0.00 52 Q 7.89 4.21 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 53 L 7.83 4.71 0.00 1.68 1.64 0.69 1.09 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 54 P 0.00 4.18 0.00 2.11 2.05 0.00 3.96 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 55 G 8.81 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 0.00 0.00 0.00 56 V 7.44 4.09 2.24 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 0.71 0.00 0.00 1.17 0.00 0.00 57 R 8.21 4.56 0.00 1.75 1.73 0.00 3.32 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 58 K 8.81 3.78 0.00 1.72 1.73 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.37 7.81 59 A 8.51 4.43 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.40 4.52 0.00 3.92 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 61 W 8.38 4.34 0.00 3.33 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