NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4303 8.1633 120.3493 55.5856 34.5048 177.1915 2 K 4.6140 8.3107 117.3520 58.4676 31.7003 176.6405 3 L 3.5029 8.3671 117.4227 58.2931 43.0128 179.2744 4 S 3.9337 8.0253 112.5936 61.4777 63.1135 176.7517 5 E 3.9179 8.1203 120.6720 59.5776 29.2298 179.3009 6 V 3.5797 7.5622 116.9415 66.2194 31.5348 177.8260 7 R 4.0224 8.5855 118.4907 59.3157 29.9666 178.4038 8 K 4.0490 7.9305 118.2549 59.4178 32.1995 178.8146 9 Q 4.7032 7.7800 112.6952 56.7253 28.3632 177.2764 10 L 4.4188 7.8638 119.2283 56.4711 43.3201 177.5844 11 E 4.1935 7.5448 116.0518 57.7347 29.9134 177.5348 12 E 4.0308 8.1802 119.9969 58.8108 30.1050 177.7393 13 A 4.3102 7.8111 118.1617 53.2647 18.1465 177.4788 14 R 4.9783 7.2724 116.9734 54.7014 28.4706 175.8816 15 K 4.6090 8.0098 117.2254 56.6208 36.1199 177.2848 16 L 4.7445 7.6203 117.4939 53.9072 42.9778 178.1604 17 S 4.3712 7.6889 109.8411 61.0699 62.3560 173.5169 18 P 4.1834 0.0000 0.0000 65.8242 31.7763 178.2585 19 V 3.5534 7.8129 116.0238 66.1851 31.4716 177.5862 20 E 3.9515 8.3125 118.2653 59.4535 29.3085 179.2256 21 L 3.9457 8.4104 119.1000 58.2204 41.7049 178.9874 22 E 3.9450 8.0607 117.8310 59.6807 29.4983 179.3925 23 K 3.8315 8.2554 117.8139 59.7404 32.2041 178.9559 24 L 3.8889 8.3339 120.3979 58.0975 41.9756 178.9653 25 V 3.5459 8.4082 118.4634 66.2161 31.5699 177.7118 26 R 4.1421 7.9997 117.6759 59.7589 30.0051 178.6514 27 E 3.9698 8.1048 117.5690 59.3785 29.5552 179.6541 28 K 3.9498 8.3296 118.8193 59.5340 31.9250 179.5310 29 K 3.9876 8.6697 118.6178 59.2456 32.1038 179.2344 30 R 3.9681 7.7778 118.5832 59.5415 29.6443 178.0496 31 E 3.9055 8.5875 118.7426 59.6972 29.3708 179.1798 32 L 4.1052 7.8645 119.1271 57.6170 42.2565 178.5063 33 M 4.0370 8.2894 119.0433 58.1928 32.0326 177.5942 34 E 3.7564 8.0526 119.1796 59.2161 29.7373 178.6341 35 L 4.0010 7.4984 118.2858 57.9483 41.9223 179.6349 36 R 3.8940 8.3520 116.1908 59.4817 29.0579 178.9114 37 F 4.0311 8.4999 118.1472 60.6814 38.7832 177.7390 38 Q 4.0886 8.2224 116.2030 58.8578 28.6701 178.3774 39 A 4.6974 8.8340 123.8349 54.4102 18.1506 179.5450 40 S 4.0184 7.6700 110.9702 61.4960 62.6412 176.1053 41 I 3.9348 7.4870 112.6206 60.7895 37.2241 177.2817 42 G 3.6689 8.8772 113.7368 46.5513 0.0000 174.7053 43 Q 4.4849 8.7999 121.7373 55.2123 27.2036 175.6824 44 L 5.5870 7.6404 129.5767 54.4631 44.9063 173.8473 45 S 4.7140 7.1027 112.5963 57.5276 66.1586 174.1025 46 Q 4.7298 8.0393 119.5440 55.9586 30.3650 176.2179 47 N 3.6700 7.4627 120.4641 55.9849 37.9177 179.4869 48 H 3.7647 8.9504 115.3790 59.4049 31.8397 177.5462 49 K 4.1623 7.7602 122.9453 58.3030 31.7082 178.6897 50 I 3.7599 7.7807 113.4537 63.7854 37.5624 178.1360 51 R 3.9969 7.7622 117.2599 58.8422 29.8388 178.1178 52 D 4.4060 8.4923 120.0940 56.9533 40.6816 178.7845 53 L 3.8897 7.9497 120.6370 58.0723 42.3233 178.7277 54 K 3.8444 8.1072 118.6135 59.9884 32.1112 179.4592 55 R 3.9654 8.4382 118.2953 59.1941 29.9281 178.5620 56 Q 3.9042 8.2202 119.4462 59.3451 29.0202 178.5276 57 I 3.5910 8.0762 120.6227 65.0463 37.0269 177.2355 58 A 4.0150 7.7326 119.7609 54.8903 18.2705 179.0188 59 R 3.9974 8.3174 112.3594 59.3298 29.3242 178.7581 60 L 3.9164 8.2388 120.0400 57.8919 42.1308 178.6176 61 L 4.0676 8.1698 117.9872 57.6301 41.5656 177.4321 62 T 4.1597 7.9485 119.8321 63.6525 68.5297 174.4194 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 M 8.16 4.43 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 2 K 8.31 4.61 0.00 1.90 1.87 0.00 2.06 0.00 0.00 1.92 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.40 7.81 3 L 8.37 3.50 0.00 1.71 1.54 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.03 3.93 0.00 4.17 3.86 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 0.00 0.00 0.00 0.00 5 E 8.12 3.92 0.00 2.05 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 2.40 2.43 0.00 6 V 7.56 3.58 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 0.79 0.00 0.00 0.93 0.00 0.00 7 R 8.59 4.02 0.00 1.86 1.90 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 8 K 7.93 4.05 0.00 2.00 1.86 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.46 7.81 9 Q 7.78 4.70 0.00 2.22 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 10 L 7.86 4.42 0.00 1.77 1.72 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.54 4.19 0.00 1.97 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 2.34 2.28 0.00 12 E 8.18 4.03 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 13 A 7.81 4.31 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 14 R 7.27 4.98 0.00 2.00 1.90 0.00 3.07 0.00 0.00 3.07 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 15 K 8.01 4.61 0.00 1.67 1.77 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.38 7.81 16 L 7.62 4.74 0.00 1.60 1.57 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.69 4.37 0.00 3.88 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 4.18 0.00 2.19 2.11 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 19 V 7.81 3.55 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.93 0.00 0.00 20 E 8.31 3.95 0.00 2.15 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 2.46 2.50 0.00 21 L 8.41 3.95 0.00 1.63 1.73 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.06 3.95 0.00 2.28 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 2.34 2.61 0.00 23 K 8.26 3.83 0.00 1.96 1.89 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.72 7.81 24 L 8.33 3.89 0.00 1.88 1.73 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.41 3.55 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 0.97 0.00 0.00 0.96 0.00 0.00 26 R 8.00 4.14 0.00 2.10 1.99 0.00 3.18 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 27 E 8.10 3.97 0.00 2.15 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 2.31 2.50 0.00 28 K 8.33 3.95 0.00 1.94 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.62 7.81 29 K 8.67 3.99 0.00 1.63 1.87 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.59 7.81 30 R 7.78 3.97 0.00 1.87 2.08 0.00 3.06 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 31 E 8.59 3.91 0.00 2.13 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 2.32 2.56 0.00 32 L 7.86 4.11 0.00 1.73 1.90 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.29 4.04 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 34 E 8.05 3.76 0.00 1.99 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 2.37 2.37 0.00 35 L 7.50 4.00 0.00 1.93 1.72 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.35 3.89 0.00 2.10 2.27 0.00 2.95 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 37 F 8.50 4.03 0.00 3.37 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 Q 8.22 4.09 0.00 2.19 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 39 A 8.83 4.70 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 40 S 7.67 4.02 0.00 3.93 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.49 3.93 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 1.48 0.80 0.98 0.00 0.00 42 G 8.88 3.67 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 0.00 0.00 0.00 43 Q 8.80 4.48 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.61 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 44 L 7.64 5.59 0.00 1.79 1.69 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.10 4.71 0.00 3.81 3.92 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 46 Q 8.04 4.73 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.14 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 47 N 7.46 3.67 0.00 2.97 2.49 0.00 0.00 6.86 8.16 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 48 H 8.95 3.76 0.00 3.48 3.79 0.00 5.49 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.76 4.16 0.00 1.88 1.82 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.44 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.32 7.81 50 I 7.78 3.76 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.60 0.92 0.00 0.00 51 R 7.76 4.00 0.00 2.07 2.23 0.00 3.00 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.73 0.00 52 D 8.49 4.41 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.95 3.89 0.00 2.03 1.76 0.91 0.89 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 54 K 8.11 3.84 0.00 2.01 1.87 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.71 7.81 55 R 8.44 3.97 0.00 1.94 1.98 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 56 Q 8.22 3.90 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 57 I 8.08 3.59 2.06 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 1.67 0.83 0.91 0.00 0.00 58 A 7.73 4.02 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 59 R 8.32 4.00 0.00 2.07 2.23 0.00 2.79 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.81 0.00 60 L 8.24 3.92 0.00 1.77 1.95 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.17 4.07 0.00 1.79 1.74 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.95 4.16 4.36 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 1.21 0.00 0.00