NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 3.8281 8.3149 121.7610 56.4923 32.9545 176.2325 5 F 4.9235 6.9602 112.6909 56.2888 40.3782 176.0575 6 N 4.2491 8.3288 118.0658 57.0087 39.3472 174.8407 7 K 4.3343 8.0979 121.6005 59.1771 31.9998 178.2356 8 E 4.1409 8.3082 118.2984 58.7601 29.4827 178.6387 9 Q 4.2247 7.9118 117.6463 58.5445 29.1523 178.1917 10 Q 4.1727 8.4973 120.4905 58.8935 28.6890 178.1751 11 N 4.3935 8.3228 117.8823 56.5927 38.9229 176.7712 12 A 4.0132 7.8227 122.3089 55.0598 18.5488 179.1883 13 F 4.3520 8.8031 119.6100 61.7652 39.2538 176.4691 14 Y 3.8561 8.1702 117.7906 61.0159 38.8982 177.8958 15 E 3.9019 8.5660 119.4939 59.3231 29.5111 179.4734 16 I 3.6470 8.0073 120.2355 64.1363 36.9350 178.2025 17 L 4.0291 7.5254 118.4779 56.8432 41.3403 177.5094 18 H 4.4761 7.5057 114.6000 55.2536 28.5796 174.9920 19 L 4.4063 7.6532 122.2711 52.2888 40.7405 175.3311 20 P 4.2199 0.0000 0.0000 65.6388 31.2503 177.2719 21 N 4.7177 8.8705 114.2503 53.0471 38.4930 174.6570 22 L 4.7646 7.3215 118.3423 53.5476 43.3277 176.5277 23 N 4.8728 8.8017 119.9764 51.2013 40.4848 175.8074 24 E 3.8950 8.6457 121.5391 59.9287 29.4911 178.9006 25 E 3.9773 8.2781 117.5725 59.6578 29.4755 179.4163 26 Q 3.9739 8.0409 117.1715 59.0915 28.8620 178.6807 27 R 4.1471 8.3519 119.3235 59.7108 30.1827 178.8900 28 N 4.3930 8.7185 116.2151 56.0726 38.3849 177.3654 29 A 3.8944 8.2214 122.4793 55.2612 18.5011 179.5578 30 F 4.1067 8.3864 116.5508 60.7783 39.1190 177.8878 31 I 3.7721 8.3012 119.6328 64.5877 37.1187 178.1063 32 Q 3.9606 8.1053 120.0932 59.5697 28.7544 178.7487 33 S 4.1843 8.3700 116.1088 61.1556 62.5204 176.5300 34 L 4.0123 7.8493 122.9569 58.0827 42.0562 178.9949 35 K 4.1607 7.7425 116.3441 59.6786 32.6477 178.3125 36 D 4.5760 7.8654 120.4935 55.3708 42.2806 176.6877 37 D 4.9536 7.8825 120.4156 50.0982 38.7506 174.9435 38 P 4.4055 0.0000 0.0000 66.1089 32.0971 178.0782 39 S 3.8869 8.2849 113.0274 61.2647 63.3522 175.4899 40 Q 4.3300 8.5490 119.7597 56.5152 28.4908 177.1451 41 S 4.1060 7.7874 113.5317 63.0777 62.7753 176.1924 42 A 3.9673 8.0550 122.3748 55.4541 18.1892 179.2159 43 N 4.2192 7.9591 114.7958 56.9133 39.2408 176.7218 44 L 4.1431 8.5992 120.8488 57.9407 41.6922 179.0079 45 L 3.7736 8.1895 119.9608 58.4826 41.9498 178.7396 46 A 3.9455 7.7760 120.1762 55.3828 18.1964 179.3196 47 E 3.8912 8.1510 117.1286 59.2164 29.7281 178.6357 48 A 3.4373 8.2725 121.1471 55.0028 18.3218 179.6721 49 K 3.8167 8.1337 117.3206 59.5506 32.1952 179.7567 50 K 4.0118 8.0286 119.0114 59.8410 32.2726 178.9836 51 L 4.0000 8.3574 122.0782 57.8459 41.8010 178.3198 52 N 4.2912 8.2042 116.5915 56.8033 39.1575 176.3509 53 D 4.4453 8.1096 119.8904 57.3657 40.7976 178.5022 54 A 4.3261 7.9056 119.6996 54.2988 18.2311 178.1106 55 Q 4.4975 7.2206 114.4109 55.4480 29.2854 175.7826 56 A 4.1380 8.0702 121.8205 51.3549 18.9814 176.8543 57 P 4.4250 0.0000 0.0000 63.0124 31.3444 176.5496 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 4 K 8.31 3.83 0.00 1.47 1.42 0.00 1.39 0.00 0.00 1.45 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.99 7.81 5 F 6.96 4.92 0.00 3.22 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 6 N 8.33 4.25 0.00 2.79 2.81 0.00 0.00 6.67 6.75 0.00 0.00 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 8.10 4.33 0.00 1.92 1.85 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.50 7.81 8 E 8.31 4.14 0.00 2.32 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 0.00 2.44 2.45 0.00 9 Q 7.91 4.22 0.00 2.29 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 10 Q 8.50 4.17 0.00 2.31 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.84 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 11 N 8.32 4.39 0.00 2.96 2.91 0.00 0.00 7.14 8.31 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 12 A 7.82 4.01 1.47 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 13 F 8.80 4.35 0.00 3.14 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.17 3.86 0.00 3.00 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 15 E 8.57 3.90 0.00 2.10 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 2.31 2.57 0.00 16 I 8.01 3.65 2.08 0.00 0.00 0.82 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 0.88 0.89 0.00 0.00 17 L 7.53 4.03 0.00 1.53 1.40 0.79 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 18 H 7.51 4.48 0.00 3.07 3.19 0.00 5.84 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.65 4.41 0.00 1.83 1.57 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.22 0.00 2.15 2.16 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 21 N 8.87 4.72 0.00 2.96 3.03 0.00 0.00 6.99 7.89 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 22 L 7.32 4.76 0.00 1.68 1.65 0.86 1.10 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 23 N 8.80 4.87 0.00 3.05 2.95 0.00 0.00 6.59 7.22 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 24 E 8.65 3.89 0.00 2.11 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 0.00 2.41 2.53 0.00 25 E 8.28 3.98 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 26 Q 8.04 3.97 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.87 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 27 R 8.35 4.15 0.00 2.05 2.09 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 28 N 8.72 4.39 0.00 3.02 2.89 0.00 0.00 6.96 6.95 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 29 A 8.22 3.89 1.18 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 0.00 0.00 30 F 8.39 4.11 0.00 3.29 3.14 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 0.00 0.00 0.00 0.00 31 I 8.30 3.77 2.15 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.14 0.84 0.00 0.00 32 Q 8.11 3.96 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 33 S 8.37 4.18 0.00 4.06 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 34 L 7.85 4.01 0.00 1.95 1.73 1.04 0.70 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 35 K 7.74 4.16 0.00 1.96 1.87 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.65 1.65 7.81 36 D 7.87 4.58 0.00 2.86 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.88 4.95 0.00 2.78 2.81 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 0.00 0.00 0.00 38 P 0.00 4.41 0.00 2.36 2.48 0.00 3.78 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 2.08 2.27 0.00 39 S 8.28 3.89 0.00 3.84 4.02 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 40 Q 8.55 4.33 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 41 S 7.79 4.11 0.00 4.00 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 42 A 8.06 3.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 7.96 4.22 0.00 2.85 3.07 0.00 0.00 7.21 6.66 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 44 L 8.60 4.14 0.00 1.97 2.03 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.19 3.77 0.00 1.87 1.75 0.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.78 3.95 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 47 E 8.15 3.89 0.00 2.31 2.28 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 2.43 2.50 0.00 48 A 8.27 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.13 3.82 0.00 1.89 1.83 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.55 7.81 50 K 8.03 4.01 0.00 2.05 2.07 0.00 1.25 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.78 7.81 51 L 8.36 4.00 0.00 1.94 1.96 1.06 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 52 N 8.20 4.29 0.00 2.66 2.98 0.00 0.00 7.29 8.04 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 53 D 8.11 4.45 0.00 2.89 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.91 4.33 1.41 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 0.00 0.00 0.00 55 Q 7.22 4.50 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 56 A 8.07 4.14 1.26 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 0.00 0.00 0.00 57 P 0.00 4.42 0.00 2.05 1.99 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00