NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0126 8.3393 109.7383 45.5349 0.0000 173.1057 2 S 4.4996 8.2165 115.7735 55.6847 66.0169 172.0190 3 H 4.5160 9.5337 120.8626 56.6065 30.1972 175.8246 4 M 4.9997 8.0693 117.8056 54.5353 32.8605 175.6395 5 E 4.8053 8.1184 116.6728 57.8449 37.4300 176.1329 6 E 4.1019 8.0115 116.6487 56.1436 30.8110 174.8282 7 D 4.1750 8.6172 117.9961 54.4931 38.3555 172.1505 8 P 4.3752 0.0000 0.0000 64.6313 32.0954 178.4692 9 C 4.8389 7.3883 117.4158 59.3348 29.6688 173.6221 10 E 4.5104 8.4676 113.6155 55.7744 26.9776 176.9514 11 C 3.9524 8.2863 116.7047 62.4073 28.6209 175.3974 12 K 4.5984 7.8879 115.3058 55.8007 34.0437 177.9629 13 S 4.3088 7.8700 115.2306 61.0381 62.9494 176.1209 14 I 3.9371 7.9190 122.7042 63.8326 36.9443 178.0827 15 V 3.8914 7.7304 117.9737 64.7182 31.2970 177.8812 16 K 3.9778 7.7941 119.2144 59.5737 32.4496 178.2717 17 F 4.2725 8.2785 120.4750 60.9803 39.2654 177.0882 18 Q 3.7852 8.0132 117.5515 59.3984 28.6311 179.0517 19 T 4.0098 7.6450 116.1784 66.6486 68.4637 176.8138 20 K 3.9293 7.7038 120.2790 59.0521 32.0000 179.2227 21 V 3.5905 7.2736 117.9385 64.7721 31.2392 178.0740 22 E 3.8866 7.6665 118.2831 59.6382 29.5358 178.7200 23 E 3.9972 8.0180 118.4619 58.8888 29.5650 179.1340 24 L 3.8847 7.7633 120.4061 58.1442 42.2128 178.7683 25 I 3.6297 7.6592 118.6321 64.0665 37.9864 177.2332 26 N 4.2638 7.9130 117.8495 57.1615 38.8241 176.9862 27 T 3.9144 7.9670 116.9575 66.4675 68.5297 176.7131 28 L 3.9943 7.7722 121.0969 57.7711 41.7521 178.9972 29 Q 4.1443 8.1373 118.4951 58.0171 29.0566 178.0573 30 Q 3.9573 7.7750 119.0252 59.3197 29.0902 178.3118 31 K 4.1174 8.0733 118.7885 58.4821 31.9646 179.3168 32 L 3.9287 7.6303 120.9026 58.0385 41.8039 178.3124 33 E 4.0414 8.2687 118.3600 58.3751 29.6009 178.0691 34 A 3.9726 7.8458 120.1900 54.4467 19.1563 179.5217 35 V 3.5414 7.7049 116.8235 66.1045 31.6879 178.1687 36 A 4.0698 8.1199 120.4151 54.7497 17.6700 179.6186 37 K 4.5755 7.4667 118.1593 58.6270 32.2595 179.5553 38 R 4.1131 7.8279 118.3046 58.6909 30.1245 178.8805 39 I 3.7364 7.8798 120.0725 64.3286 37.1377 178.2662 40 E 3.9756 8.1403 117.7533 59.2757 29.0647 178.9232 41 A 4.7466 7.4926 121.9962 54.6575 18.3751 179.5615 42 L 4.0597 7.8119 116.7916 57.5423 41.7992 179.1452 43 E 4.0921 8.2443 118.0284 58.5560 29.3428 178.6810 44 N 4.4746 8.0699 116.4935 55.0067 38.4111 176.3468 45 K 4.5037 7.2354 118.0507 56.2844 33.7625 177.3174 46 I 4.2179 7.6182 118.6368 61.5318 37.9027 175.3426 47 I 3.8209 7.5678 124.4689 61.3426 37.7763 175.1295 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 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 2 S 8.22 4.50 0.00 4.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 9.53 4.52 0.00 3.13 3.30 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 8.07 5.00 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 5 E 8.12 4.81 0.00 1.92 1.93 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 2.22 2.33 0.00 6 E 8.01 4.10 0.00 1.99 1.93 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 2.33 2.33 0.00 7 D 8.62 4.17 0.00 2.87 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.38 0.00 2.22 2.11 0.00 3.76 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 1.98 1.98 0.00 9 C 7.39 4.84 0.00 2.93 2.91 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 10 E 8.47 4.51 0.00 2.16 2.07 0.00 0.00 0.00 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 2.72 0.00 11 C 8.29 3.95 0.00 2.96 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 12 K 7.89 4.60 0.00 1.77 1.79 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.42 7.81 13 S 7.87 4.31 0.00 3.87 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 14 I 7.92 3.94 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.91 0.95 0.00 0.00 15 V 7.73 3.89 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 1.01 0.00 0.00 1.01 0.00 0.00 16 K 7.79 3.98 0.00 1.91 1.97 0.00 2.19 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.62 7.81 17 F 8.28 4.27 0.00 3.18 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 18 Q 8.01 3.79 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.86 0.00 19 T 7.64 4.01 4.39 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 1.17 0.00 0.00 20 K 7.70 3.93 0.00 1.61 1.68 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.56 7.81 21 V 7.27 3.59 1.86 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 0.90 0.00 0.00 0.27 0.00 0.00 22 E 7.67 3.89 0.00 2.12 1.93 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 2.35 2.51 0.00 23 E 8.02 4.00 0.00 1.99 1.95 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 2.29 2.49 0.00 24 L 7.76 3.88 0.00 1.94 1.59 0.90 0.86 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 25 I 7.66 3.63 2.09 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 1.39 1.17 0.95 0.00 0.00 26 N 7.91 4.26 0.00 2.90 2.89 0.00 0.00 7.21 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 27 T 7.97 3.91 4.44 0.00 0.00 0.00 0.00 0.00 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 28 L 7.77 3.99 0.00 1.94 1.70 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.14 4.14 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 30 Q 7.77 3.96 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 31 K 8.07 4.12 0.00 1.81 1.85 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 32 L 7.63 3.93 0.00 2.01 1.77 0.92 0.68 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 33 E 8.27 4.04 0.00 2.13 1.96 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 2.30 2.32 0.00 34 A 7.85 3.97 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 35 V 7.70 3.54 2.34 0.00 0.00 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 0.00 0.00 0.97 0.00 0.00 36 A 8.12 4.07 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.47 4.58 0.00 2.01 1.86 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.43 7.81 38 R 7.83 4.11 0.00 2.00 1.96 0.00 3.13 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 39 I 7.88 3.74 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.04 0.91 0.00 0.00 40 E 8.14 3.98 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 41 A 7.49 4.75 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 4.06 0.00 1.90 1.72 0.92 0.77 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 43 E 8.24 4.09 0.00 2.12 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 0.00 2.30 2.43 0.00 44 N 8.07 4.47 0.00 3.07 2.86 0.00 0.00 6.66 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.24 4.50 0.00 1.71 1.82 0.00 1.57 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.48 7.81 46 I 7.62 4.22 1.95 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.81 0.91 0.00 0.00 47 I 7.57 3.82 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.74 0.96 0.00 0.00