NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 N 4.4957 8.4201 119.1922 52.3958 40.8522 173.9485 22 A 3.7589 8.0024 119.6890 53.2077 18.4976 176.0632 23 T 3.8179 9.9000 122.6593 65.6930 69.5804 173.2419 24 F 5.1749 7.6257 117.4094 55.4347 42.4174 173.9059 25 G 4.3788 9.2910 110.3538 43.3503 0.0000 172.1898 26 M 4.4341 8.6005 118.6815 57.1424 32.1826 177.6705 27 G 4.0274 9.1259 111.5485 45.3373 0.0000 173.6624 28 D 4.4876 7.9004 120.3951 54.4205 42.2279 175.3624 29 R 4.7714 8.4287 122.6726 55.6368 31.7631 175.4952 30 V 5.0194 8.9398 119.0353 59.6980 36.7141 174.2810 31 R 5.1540 8.7869 117.3527 54.1915 33.2180 174.3879 32 K 4.3198 8.6763 122.5200 56.4872 32.1444 177.4498 33 K 4.1595 8.8965 127.4741 59.1005 32.3068 176.9660 34 S 4.5365 7.7350 110.5619 57.9611 66.3129 175.4272 35 G 3.7452 8.5661 107.3986 45.3556 0.0000 173.2707 36 A 4.0224 8.6966 124.8078 52.6947 18.9398 177.2863 37 A 4.5021 8.4345 123.6315 51.8434 20.0000 176.6661 38 W 4.7459 8.4109 126.5051 56.7109 34.4425 173.0413 39 Q 4.7841 7.0787 126.5775 54.1881 32.1946 174.2549 40 G 4.6256 7.6675 111.4331 46.1952 0.0000 170.7409 41 Q 5.0169 7.7595 118.5085 54.4841 31.2880 175.4958 42 I 4.4527 8.8027 124.2903 61.7948 37.9873 176.8030 43 V 4.4522 9.0154 118.4165 60.3986 33.7463 175.4522 44 G 4.2693 7.8482 106.6217 46.7251 0.0000 171.8895 45 W 5.8788 8.4151 115.3710 55.9441 31.1257 173.1132 46 Y 4.4314 8.9189 118.2845 56.3387 41.5450 173.2470 47 C 5.1513 8.5675 120.0748 58.5251 34.4194 172.7001 48 T 4.7862 8.9823 115.9535 59.8749 72.1377 174.7550 49 N 4.3414 8.8931 118.3481 56.2800 38.7379 176.7975 50 L 4.1602 7.9545 118.9441 57.5518 42.6158 176.6785 51 T 4.5627 7.9654 115.7791 60.6191 68.7971 172.3984 52 P 4.4082 0.0000 0.0000 63.8123 32.1631 176.9142 53 E 4.2678 7.8793 119.5887 54.4772 32.0049 173.9505 54 G 3.9397 8.4400 113.6033 44.2471 0.0000 169.4811 55 Y 5.5451 9.3938 117.5881 56.0189 42.6458 174.2774 56 A 5.1471 9.0264 123.9317 50.6974 21.5948 176.3491 57 V 4.9418 9.1359 121.8557 61.1368 35.0806 173.8723 58 E 5.0387 9.2068 129.7887 55.2124 30.8318 175.4737 59 S 4.2141 9.0239 123.2938 58.5165 62.3768 174.1686 60 E 4.0440 8.7492 124.3977 57.8347 30.0619 177.5318 61 A 4.1378 7.5446 121.6586 53.5973 19.6560 176.6864 62 H 4.8196 7.8061 113.9027 52.4226 28.8931 170.5728 63 P 4.4357 0.0000 0.0000 64.1138 31.8363 176.8151 64 G 4.0248 9.5992 111.5483 45.1664 0.0000 173.4146 65 S 4.6412 8.0202 115.6950 57.6797 63.6053 173.1649 66 V 5.2587 8.5972 126.2754 61.6021 34.2951 174.0413 67 H 4.8045 9.1335 123.9294 53.6842 32.2232 172.6397 68 I 4.9457 7.4748 113.5737 59.6467 39.6956 174.3265 69 Y 5.0681 9.1490 121.0445 55.9401 42.9498 173.1396 70 P 4.8662 0.0000 0.0000 62.2036 32.5436 178.0254 71 V 3.9755 8.7704 121.0435 65.0966 31.2532 178.4912 72 A 4.0932 8.0782 121.3515 54.1748 18.4970 177.7102 73 A 4.3296 8.3089 118.1162 53.0072 19.1068 176.6602 74 L 5.4864 7.9179 115.2428 52.7371 45.2050 175.8945 75 E 4.9472 8.9272 118.1376 54.6821 33.3375 174.5608 76 R 4.5191 8.7904 122.4690 56.2965 31.0440 175.0885 77 I 4.7242 8.3262 118.4076 58.6593 41.3812 175.1978 78 N 4.5020 8.5743 118.2884 53.6596 38.4766 175.4205 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 21 N 8.42 4.50 0.00 2.65 2.84 0.00 0.00 6.92 7.08 0.00 0.00 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 A 8.00 3.76 1.39 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 0.00 0.00 23 T 9.90 3.82 3.61 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 0.37 0.00 0.00 24 F 7.63 5.17 0.00 2.34 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 25 G 9.29 4.38 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 0.00 26 M 8.60 4.43 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.65 0.00 27 G 9.13 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.90 4.49 0.00 2.62 2.47 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 29 R 8.43 4.77 0.00 1.84 1.74 0.00 3.08 0.00 0.00 3.47 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 30 V 8.94 5.02 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.83 0.00 0.00 31 R 8.79 5.15 0.00 1.86 1.91 0.00 2.74 0.00 0.00 3.06 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 32 K 8.68 4.32 0.00 1.63 1.70 0.00 0.61 0.00 0.00 1.67 0.00 0.00 2.44 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.47 1.23 7.81 33 K 8.90 4.16 0.00 1.78 1.85 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.67 1.51 7.81 34 S 7.74 4.54 0.00 3.93 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 35 G 8.57 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.70 4.02 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 37 A 8.43 4.50 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.41 4.75 0.00 3.49 2.88 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 39 Q 7.08 4.78 0.00 2.03 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 40 G 7.67 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.76 5.02 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 7.05 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 42 I 8.80 4.45 2.06 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.81 1.16 0.00 0.00 43 V 9.02 4.45 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 0.76 0.00 0.00 1.06 0.00 0.00 44 G 7.85 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.42 5.88 0.00 3.28 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.92 4.43 0.00 2.85 2.77 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 47 C 8.57 5.15 0.00 3.22 3.15 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 0.00 0.00 0.00 0.00 48 T 8.98 4.79 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 49 N 8.89 4.34 0.00 2.73 2.93 0.00 0.00 6.82 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.95 4.16 0.00 1.61 1.73 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.97 4.56 4.24 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 0.00 0.00 0.00 1.01 0.00 0.00 52 P 0.00 4.41 0.00 2.13 2.15 0.00 3.29 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 53 E 7.88 4.27 0.00 1.92 1.77 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 2.19 2.14 0.00 54 G 8.44 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 55 Y 9.39 5.55 0.00 3.14 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.03 5.15 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.14 4.94 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.20 0.00 0.00 58 E 9.21 5.04 0.00 2.19 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 59 S 9.02 4.21 0.00 2.72 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.75 4.04 0.00 2.02 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 2.11 0.00 61 A 7.54 4.14 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 62 H 7.81 4.82 0.00 3.06 3.16 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.44 0.00 2.04 2.00 0.00 3.68 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 2.02 2.07 0.00 64 G 9.60 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 0.00 0.00 0.00 65 S 8.02 4.64 0.00 4.07 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 66 V 8.60 5.26 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 0.93 0.00 0.00 1.08 0.00 0.00 67 H 9.13 4.80 0.00 1.68 1.91 0.00 5.65 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.47 4.95 1.24 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.17 0.58 0.00 0.00 69 Y 9.15 5.07 0.00 3.08 2.93 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 70 P 0.00 4.87 0.00 2.29 2.03 0.00 3.91 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 71 V 8.77 3.98 2.39 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 0.79 0.00 0.00 0.89 0.00 0.00 72 A 8.08 4.09 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 73 A 8.31 4.33 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 74 L 7.92 5.49 0.00 1.78 1.45 1.18 0.59 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 75 E 8.93 4.95 0.00 2.02 2.03 0.00 0.00 0.00 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 2.24 0.00 76 R 8.79 4.52 0.00 1.99 1.95 0.00 3.21 0.00 0.00 3.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 77 I 8.33 4.72 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.80 0.88 0.00 0.00 78 N 8.57 4.50 0.00 2.70 2.76 0.00 0.00 6.74 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00