NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2025 8.1749 112.9146 60.0082 70.9044 173.4977 3 F 4.3663 8.0081 119.2901 55.2417 38.7995 173.8428 4 I 3.9003 9.2389 122.1042 60.6823 38.4583 175.5360 5 T 4.2990 8.4110 123.4547 61.8470 68.4852 174.2582 6 K 4.3467 8.4087 128.5803 55.2517 33.2959 176.4621 7 T 4.3060 7.8495 115.5064 60.1566 69.8516 172.9438 8 P 4.4055 0.0000 0.0000 61.7821 32.2507 175.4063 9 P 4.3577 0.0000 0.0000 62.6524 33.2234 177.4494 10 A 3.9878 8.6838 122.4358 55.4852 18.2795 179.7659 11 A 3.9400 8.0670 118.7448 55.5092 18.3589 179.9463 12 V 3.5736 7.7160 116.3438 65.0640 31.4737 178.0930 13 L 3.9505 7.9912 119.7048 57.4744 41.3713 179.7296 14 L 3.9258 7.9631 118.6185 57.8122 41.6636 179.3815 15 K 3.8677 8.0396 118.3832 59.5194 31.7737 178.8630 16 K 3.8193 8.1286 118.4981 59.8516 32.2081 178.4408 17 A 4.0899 7.8866 119.4925 54.6955 18.3806 178.7562 18 A 4.2194 8.3099 118.3633 51.8667 19.8982 176.9496 19 G 3.7554 8.1698 105.0232 46.2298 0.0000 173.9743 20 I 4.6653 7.1766 109.2855 58.7282 41.2087 175.4288 21 E 4.0901 8.9452 124.1649 58.8955 29.8202 176.8656 22 S 4.6943 7.5862 111.3950 56.5351 66.9936 173.7293 23 G 3.9172 8.3275 111.2786 44.4582 0.0000 173.6622 24 S 4.2332 8.0906 114.5303 58.1248 62.7664 174.6698 25 G 3.8587 8.5199 114.2844 46.9183 0.0000 174.0226 26 E 4.5878 8.0101 119.4085 53.2465 30.3617 173.8810 27 P 4.2985 0.0000 0.0000 65.1881 32.0033 177.7744 28 N 4.5427 8.1254 114.4348 55.4602 38.0319 176.6240 29 R 4.0042 8.0661 116.5724 57.9345 30.5473 176.1780 30 N 4.7347 8.1298 117.1699 51.2969 39.1312 174.6358 31 K 4.7933 8.6830 123.6933 54.5272 32.5454 177.5934 32 V 3.8939 8.4685 124.7422 64.7107 32.6157 175.4406 33 A 4.6355 7.5973 120.8673 51.5630 22.7034 174.9124 34 T 5.1078 8.3552 108.1527 60.6589 71.8584 173.4792 35 I 4.8342 9.0086 119.2036 59.2410 41.4958 174.1979 36 K 4.8932 8.3259 119.5032 54.6650 35.4251 177.4911 37 R 3.9551 8.4515 118.7430 59.6294 30.0481 178.9844 38 D 4.6543 8.1537 117.6233 56.4667 40.7332 178.3690 39 K 4.1642 7.7177 118.6930 58.6015 32.6727 178.8971 40 V 3.6339 7.5941 118.0913 65.6364 31.2812 177.7826 41 R 3.8682 8.4556 119.1340 59.7201 29.9131 178.2704 42 E 3.9569 7.8104 117.2204 59.4273 29.4048 179.5490 43 I 3.6813 7.8113 119.5829 64.4084 36.9800 178.3908 44 A 3.9872 8.0315 120.5176 55.0421 18.2883 179.3415 45 E 4.0450 8.3244 117.2933 59.3753 29.3687 179.2476 46 L 3.9799 8.0591 119.2953 58.1266 42.6205 178.6386 47 K 4.1283 8.3526 118.2606 57.7394 31.9769 177.8129 48 M 3.8863 7.5618 118.9449 59.1561 31.8189 176.1836 49 P 4.2726 0.0000 0.0000 65.6665 31.7269 177.3908 50 D 4.4474 7.9648 117.1354 56.6958 40.9324 176.6953 51 L 4.3765 7.3092 118.9314 54.5665 42.2628 176.0563 52 N 4.9845 8.3579 113.3403 52.5919 37.8392 174.4108 53 A 4.2547 7.8942 120.3893 52.2714 19.3091 178.2740 54 A 4.0669 8.3714 123.4717 54.1589 18.9073 178.9065 55 S 4.7982 7.5110 108.0440 56.5199 65.9754 174.6687 56 I 3.8880 8.0550 119.4136 63.8706 36.7888 178.2506 57 E 3.9479 8.1490 119.2578 59.4586 29.4944 179.0333 58 A 4.0357 7.6674 120.1941 54.7583 18.3849 179.5902 59 A 3.9358 7.6473 119.2569 55.7876 18.5414 179.8826 60 M 4.0708 8.6176 117.4789 58.3391 31.8204 178.9564 61 R 3.9967 7.9665 119.1410 59.5101 30.1630 178.6320 62 M 4.0311 7.8634 118.1099 58.4662 32.0391 178.6517 63 I 3.7028 7.7118 119.9230 64.5782 37.1892 178.3717 64 E 4.0761 8.8032 119.8753 59.3326 29.1282 179.6508 65 G 3.4246 7.8607 105.6506 48.0424 0.0000 175.9940 66 T 3.9183 7.6629 117.0454 66.3640 68.8474 176.5395 67 A 4.1248 8.2007 122.8678 55.0141 18.1723 179.5725 68 R 3.8716 8.4789 117.1974 59.4750 30.1846 177.4171 69 N 4.8465 7.5879 114.0619 53.6910 39.0316 174.5132 70 M 4.7226 7.7861 115.7412 54.9120 32.1361 176.7965 71 G 3.9910 8.4226 105.9268 46.8517 0.0000 173.8889 72 I 4.5795 7.4042 119.7750 60.5045 38.6016 175.3695 73 V 4.5215 8.3526 124.0107 61.2261 34.7975 174.5582 74 V 4.9092 8.3890 119.1659 59.7668 34.1473 175.6156 75 E 4.3174 8.5904 122.4429 56.6794 30.1329 175.4087 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 T 8.17 4.20 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 1.21 0.00 0.00 3 F 8.01 4.37 0.00 3.16 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 4 I 9.24 3.90 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.48 0.93 0.00 0.00 5 T 8.41 4.30 4.26 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 1.21 0.00 0.00 6 K 8.41 4.35 0.00 1.72 1.71 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.49 7.81 7 T 7.85 4.31 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 1.22 0.00 0.00 8 P 0.00 4.41 0.00 2.06 2.03 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 9 P 0.00 4.36 0.00 2.15 1.98 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 10 A 8.68 3.99 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 11 A 8.07 3.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.72 3.57 2.08 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 1.00 0.00 0.00 0.93 0.00 0.00 13 L 7.99 3.95 0.00 1.93 1.78 0.99 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.96 3.93 0.00 1.96 1.71 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.04 3.87 0.00 1.96 2.10 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.63 7.81 16 K 8.13 3.82 0.00 1.79 2.10 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.51 7.81 17 A 7.89 4.09 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 18 A 8.31 4.22 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 19 G 8.17 3.76 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 0.00 0.00 0.00 20 I 7.18 4.67 1.87 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 1.41 0.76 0.91 0.00 0.00 21 E 8.95 4.09 0.00 1.95 2.01 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 2.29 2.27 0.00 22 S 7.59 4.69 0.00 3.83 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 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 0.00 0.00 0.00 24 S 8.09 4.23 0.00 3.87 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 25 G 8.52 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 0.00 0.00 0.00 26 E 8.01 4.59 0.00 2.04 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 27 P 0.00 4.30 0.00 2.03 2.20 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 28 N 8.13 4.54 0.00 2.83 2.94 0.00 0.00 6.05 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 29 R 8.07 4.00 0.00 1.82 2.02 0.00 3.17 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 30 N 8.13 4.73 0.00 2.65 2.75 0.00 0.00 7.11 8.45 0.00 0.00 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 K 8.68 4.79 0.00 1.72 1.76 0.00 1.76 0.00 0.00 2.61 0.00 0.00 3.39 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.58 7.81 32 V 8.47 3.89 2.08 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 0.73 0.00 0.00 0.98 0.00 0.00 33 A 7.60 4.64 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 5.11 4.30 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 1.21 0.00 0.00 35 I 9.01 4.83 1.87 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 1.23 0.74 0.95 0.00 0.00 36 K 8.33 4.89 0.00 1.80 1.73 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.41 7.81 37 R 8.45 3.96 0.00 1.85 1.97 0.00 3.13 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 38 D 8.15 4.65 0.00 2.68 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 39 K 7.72 4.16 0.00 1.97 1.84 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.42 7.81 40 V 7.59 3.63 2.22 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 1.08 0.00 0.00 0.96 0.00 0.00 41 R 8.46 3.87 0.00 2.08 2.05 0.00 3.20 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 42 E 7.81 3.96 0.00 2.31 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 2.33 2.54 0.00 43 I 7.81 3.68 1.99 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 1.45 0.88 0.91 0.00 0.00 44 A 8.03 3.99 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 45 E 8.32 4.04 0.00 2.16 2.01 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 2.33 2.57 0.00 46 L 8.06 3.98 0.00 1.61 1.95 0.92 0.66 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 47 K 8.35 4.13 0.00 1.94 1.88 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.49 7.81 48 M 7.56 3.89 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.67 0.00 49 P 0.00 4.27 0.00 2.08 2.11 0.00 3.85 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 2.03 2.12 0.00 50 D 7.96 4.45 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.31 4.38 0.00 1.72 1.63 0.92 0.91 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 52 N 8.36 4.98 0.00 2.77 2.82 0.00 0.00 5.96 7.26 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 53 A 7.89 4.25 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 54 A 8.37 4.07 1.28 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 0.00 0.00 0.00 0.00 0.00 55 S 7.51 4.80 0.00 4.20 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 56 I 8.05 3.89 1.87 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 1.64 0.53 0.91 0.00 0.00 57 E 8.15 3.95 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 2.40 2.32 0.00 58 A 7.67 4.04 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 59 A 7.65 3.94 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 60 M 8.62 4.07 0.00 2.02 2.31 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.72 0.00 61 R 7.97 4.00 0.00 2.09 1.96 0.00 3.14 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 62 M 7.86 4.03 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.58 0.00 63 I 7.71 3.70 1.99 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 1.78 0.86 0.91 0.00 0.00 64 E 8.80 4.08 0.00 2.14 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 2.33 2.49 0.00 65 G 7.86 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 0.00 0.00 0.00 66 T 7.66 3.92 4.37 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 1.21 0.00 0.00 67 A 8.20 4.12 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 68 R 8.48 3.87 0.00 2.01 1.98 0.00 3.26 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 69 N 7.59 4.85 0.00 2.85 2.78 0.00 0.00 7.02 7.61 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 70 M 7.79 4.72 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.66 0.00 71 G 8.42 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 72 I 7.40 4.58 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 1.23 0.76 0.91 0.00 0.00 73 V 8.35 4.52 2.08 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 0.98 0.00 0.00 1.00 0.00 0.00 74 V 8.39 4.91 2.08 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 0.77 0.00 0.00 0.93 0.00 0.00 75 E 8.59 4.32 0.00 1.81 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 2.23 2.24 0.00