NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3179 8.2644 123.5843 51.8170 20.4860 177.5578 3 R 4.0848 7.8626 119.7188 58.4780 30.3253 176.4276 4 K 3.9931 8.2949 120.9217 59.5157 32.7512 178.0740 5 A 4.0466 8.0125 120.3884 54.6583 18.2436 179.5093 6 L 4.0592 7.8406 117.7330 57.9181 42.1170 179.2455 7 I 4.0342 7.5182 112.4673 63.4052 36.9421 177.6075 8 E 3.9806 7.9506 121.9143 58.7510 29.3658 177.7723 9 K 4.1132 7.6295 117.5393 57.8053 32.4674 178.1974 10 A 3.8542 8.2434 121.0782 55.2456 18.3332 179.2279 11 K 4.0570 7.5506 115.4917 58.5590 32.2863 177.4855 12 R 3.8224 6.9038 120.1065 57.6140 30.0908 176.4176 13 T 4.4692 8.3995 119.3351 62.7698 68.8742 173.7276 14 P 4.4603 0.0000 0.0000 63.0128 33.6342 174.3427 15 K 3.1321 9.3663 116.4806 57.7888 29.2965 172.0635 16 F 3.7802 8.1771 126.3052 56.9113 37.5087 176.6635 17 K 4.1363 8.8610 122.4338 58.2393 32.7046 178.0094 18 V 3.9301 8.1938 120.7982 65.8157 31.8378 178.1967 19 R 3.9522 8.2686 116.7269 58.9095 30.0099 175.9964 20 A 3.9695 7.4678 119.1162 52.8209 18.1289 175.9058 21 Y 5.0051 7.9069 118.7943 55.3675 41.6517 177.0785 22 T 4.0996 8.3660 114.8613 63.9089 68.4747 171.2186 23 R 4.2883 8.8208 121.4051 55.5615 31.6283 174.9694 24 C 4.2438 8.3689 127.9884 59.8592 32.2955 173.5370 25 V 3.8693 8.0121 125.3594 65.6158 31.2447 177.4844 26 R 3.9424 7.8151 117.2891 58.8157 30.1973 176.8805 27 C 4.5505 7.6538 112.2126 56.9431 31.4455 173.7704 28 G 3.7956 8.4621 107.6165 45.6465 0.0000 173.8104 29 R 3.9682 7.7854 120.6796 56.3764 30.7116 176.1061 30 A 4.6012 8.3186 120.5478 51.9301 21.0534 176.8374 31 R 4.3385 8.0373 114.1464 56.3634 31.8308 176.1651 32 S 3.5401 8.3945 113.8331 59.4058 61.5515 173.4284 33 V 4.1902 7.5165 120.0607 62.1386 30.1977 173.8932 34 Y 4.0908 8.9139 124.1073 58.3351 38.5369 178.6114 35 R 4.0342 8.8247 123.1022 59.3101 30.4915 177.6760 36 F 4.1241 8.6053 118.6609 61.5909 38.0622 175.9964 37 F 4.3331 9.2803 117.4992 57.6547 39.1160 176.7361 38 G 4.2165 8.1785 108.5560 46.3747 0.0000 173.1519 39 L 4.7784 7.5148 117.9758 52.4835 44.9827 175.8155 40 C 5.1050 8.1922 114.9421 56.8010 30.1216 174.8330 41 R 4.0464 8.4929 116.9391 58.5268 28.7138 178.5431 42 I 4.0465 7.3170 119.4056 63.5059 38.0060 177.4086 43 C 4.5802 7.8867 115.5203 60.0176 29.0577 174.2183 44 L 4.3828 7.4738 120.9031 56.0190 44.1773 178.0530 45 R 3.9844 7.3877 117.8706 59.0527 29.5992 178.1528 46 E 3.9517 7.8922 118.0376 59.2000 29.7521 178.7901 47 L 4.1165 7.8603 117.8810 57.8536 41.8301 179.0436 48 A 4.0369 7.8817 120.7638 56.0147 18.0434 179.4317 49 H 4.0832 7.7692 111.6219 58.7968 28.9183 177.3840 50 K 4.3530 8.3878 118.4879 56.1824 31.7190 179.7831 51 G 3.9870 8.5713 110.1926 46.7748 0.0000 176.0503 52 Q 4.0057 8.0386 117.5452 57.3966 28.9869 176.6410 53 L 4.5821 7.8254 118.9149 52.0309 42.6364 174.3082 54 P 4.0325 0.0000 0.0000 63.9038 31.3370 178.3267 55 G 3.9411 8.9453 111.1326 45.9702 0.0000 173.2162 56 V 3.7069 7.5607 118.9415 62.9374 31.1399 174.9761 57 R 4.5457 8.1691 127.1109 53.5463 32.6141 174.5445 58 K 3.6997 8.7440 124.2358 56.4890 32.0045 176.3321 59 A 4.1442 8.4880 129.2825 52.6577 18.9200 176.8970 60 S 4.3709 8.3567 110.0469 57.6605 64.1114 176.0686 61 W 4.8081 8.1888 124.6270 56.7355 27.9629 174.8366 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 4.32 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 7.86 4.08 0.00 1.98 1.93 0.00 3.20 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 4 K 8.29 3.99 0.00 1.92 1.79 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.57 7.81 5 A 8.01 4.05 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.84 4.06 0.00 1.92 1.81 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.52 4.03 1.88 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 1.65 0.67 1.03 0.00 0.00 8 E 7.95 3.98 0.00 2.24 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 0.00 2.31 2.36 0.00 9 K 7.63 4.11 0.00 1.78 1.99 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.49 7.81 10 A 8.24 3.85 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.55 4.06 0.00 1.87 1.86 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.69 7.81 12 R 6.90 3.82 0.00 1.91 1.93 0.00 3.15 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 13 T 8.40 4.47 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 1.21 0.00 0.00 14 P 0.00 4.46 0.00 2.15 2.08 0.00 3.97 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 15 K 9.37 3.13 0.00 1.88 1.93 0.00 1.93 0.00 0.00 1.12 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.25 1.37 7.81 16 F 8.18 3.78 0.00 3.28 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 4.14 0.00 1.90 1.97 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.49 7.81 18 V 8.19 3.93 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 0.97 0.00 0.00 0.96 0.00 0.00 19 R 8.27 3.95 0.00 1.97 2.16 0.00 3.47 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 20 A 7.47 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 5.01 0.00 3.05 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 22 T 8.37 4.10 4.34 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 0.00 0.00 0.00 1.31 0.00 0.00 23 R 8.82 4.29 0.00 1.74 1.96 0.00 3.81 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 24 C 8.37 4.24 0.00 3.00 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 25 V 8.01 3.87 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 0.84 0.00 0.00 0.99 0.00 0.00 26 R 7.82 3.94 0.00 1.86 1.95 0.00 3.28 0.00 0.00 3.29 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 27 C 7.65 4.55 0.00 3.09 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 28 G 8.46 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 29 R 7.79 3.97 0.00 1.88 1.90 0.00 3.15 0.00 0.00 3.53 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.70 0.00 30 A 8.32 4.60 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.34 0.00 1.83 1.87 0.00 3.37 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 32 S 8.39 3.54 0.00 4.19 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 33 V 7.52 4.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.09 0.00 0.00 34 Y 8.91 4.09 0.00 3.30 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 35 R 8.82 4.03 0.00 1.93 2.07 0.00 3.25 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 36 F 8.61 4.12 0.00 3.19 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 9.28 4.33 0.00 3.12 3.20 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 0.00 38 G 8.18 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 0.00 0.00 0.00 0.00 39 L 7.51 4.78 0.00 1.79 1.65 1.09 0.86 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 40 C 8.19 5.10 0.00 3.16 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 41 R 8.49 4.05 0.00 2.25 2.46 0.00 2.82 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 42 I 7.32 4.05 1.87 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 1.52 1.07 0.90 0.00 0.00 43 C 7.89 4.58 0.00 2.95 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 44 L 7.47 4.38 0.00 1.44 1.32 -0.17 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.39 3.98 0.00 1.98 1.84 0.00 3.14 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 46 E 7.89 3.95 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 47 L 7.86 4.12 0.00 1.72 1.77 1.02 0.92 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 48 A 7.88 4.04 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 49 H 7.77 4.08 0.00 3.29 3.41 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 8.39 4.35 0.00 2.00 1.84 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.57 7.81 51 G 8.57 3.99 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 0.00 0.00 0.00 52 Q 8.04 4.01 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 53 L 7.83 4.58 0.00 1.75 1.90 1.06 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.03 0.00 2.17 2.05 0.00 3.72 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 55 G 8.95 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 3.71 2.31 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 0.83 0.00 0.00 1.27 0.00 0.00 57 R 8.17 4.55 0.00 1.78 1.76 0.00 3.33 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 58 K 8.74 3.70 0.00 1.72 1.76 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.37 7.81 59 A 8.49 4.14 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 60 S 8.36 4.37 0.00 3.78 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.81 0.00 3.37 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