NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1658 8.3101 121.7885 54.7567 34.1114 175.1377 20 A 4.8687 6.9542 130.7553 52.2074 20.9179 174.2472 21 K 4.6916 8.0132 122.7840 54.3160 35.1558 175.8647 22 V 3.4871 7.8567 124.2983 65.5784 31.7879 177.2908 23 K 4.3593 7.8940 119.3083 59.5058 32.4364 177.7820 24 A 4.2263 8.1272 121.3023 55.6073 18.4869 179.9542 25 T 4.3850 7.5239 112.2144 62.8261 67.7442 174.4362 26 L 4.5783 8.2418 118.4421 53.7675 46.8517 178.0079 27 G 4.0447 8.6312 112.4763 45.7649 0.0000 175.2653 28 E 4.1827 8.6462 117.5150 54.9728 28.1474 175.5121 29 F 4.8314 7.5796 117.2960 54.7927 40.6584 175.8895 30 D 4.7519 8.5021 121.0574 52.3520 42.0093 176.9491 31 L 4.8122 8.3846 132.4317 55.4058 39.4593 177.2343 32 R 4.3873 7.5290 114.2616 57.3024 32.8764 174.0739 33 D 4.2478 7.8129 116.9591 53.3033 39.7548 175.2206 34 Y 4.3955 7.7752 122.0264 57.9333 38.0771 176.6608 35 R 4.7064 7.8578 119.5492 56.4193 31.3933 176.1137 36 N 5.0464 7.5620 110.8991 52.0296 39.8700 175.6047 37 V 2.9930 7.5048 106.2870 64.3488 32.2432 177.6073 38 E 3.8772 8.9005 125.8803 60.4100 29.9853 178.6621 39 V 3.5951 7.7113 117.9802 65.9590 31.6404 177.9239 40 L 4.2152 8.4699 118.8655 57.5896 41.6863 179.2379 41 K 3.4077 9.9587 119.4910 59.5817 31.7293 177.7754 42 R 4.1266 7.4450 115.7160 57.3463 30.2697 176.5598 43 F 4.3116 8.8912 117.2615 59.0133 39.7407 176.0630 44 L 5.3432 7.5623 118.6962 53.5308 43.0058 175.6395 45 S 5.0123 7.9158 114.0187 56.8797 65.3415 174.2688 46 E 4.0540 8.7808 118.1226 59.5667 29.4264 177.8395 47 T 4.3730 7.8016 114.4209 63.3829 69.3014 176.2695 48 G 4.0915 7.8201 108.8179 44.8500 0.0000 174.1663 49 K 4.2518 7.7239 118.9848 56.0824 32.8649 175.7978 50 I 4.4391 8.0087 121.6868 61.1724 37.8134 175.8733 51 L 4.4210 8.2336 126.6446 53.4929 42.9454 175.4292 52 P 4.4486 0.0000 0.0000 63.1837 31.9970 176.6494 53 R 4.2373 8.6143 116.9610 58.7216 30.6212 179.1264 54 R 4.3640 7.9161 113.2324 56.5288 29.7987 176.2348 55 R 4.8416 8.5429 118.5878 57.9161 37.7400 177.7530 56 T 3.9524 8.2951 108.5805 62.7996 69.0240 176.2912 57 G 4.0368 8.3088 107.7565 45.6033 0.0000 173.2834 58 L 4.4903 7.6413 119.1430 53.7979 42.5566 177.0105 59 S 4.3773 8.6227 116.2703 57.1668 63.4830 173.9249 60 A 3.7520 8.0378 121.6299 55.5800 17.9449 179.5886 61 K 3.4327 7.4812 111.0906 59.7475 32.2215 178.2337 62 E 3.9978 8.3478 117.1093 60.0749 29.6439 179.2546 63 Q 3.9622 8.3111 119.9554 58.8260 28.8517 178.7406 64 R 4.0401 8.4458 119.4238 59.1945 30.6215 178.6075 65 I 3.6292 7.8593 119.0118 65.1872 36.9655 177.0296 66 L 4.0128 8.2543 121.4578 56.7117 41.8445 178.2650 67 A 3.9272 7.9008 118.7723 55.3886 18.6671 179.4430 68 K 3.8180 8.2609 118.1165 60.0239 32.2845 178.9074 69 T 4.1986 7.5678 108.1499 63.9585 69.0776 177.0675 70 I 3.6445 7.7235 123.2271 64.3952 36.9536 178.1926 71 K 3.8299 7.8378 117.8228 59.5410 32.1356 179.1771 72 R 3.9689 7.4951 116.9020 59.4184 30.0238 178.8097 73 A 4.0522 7.8364 119.7954 55.4674 18.4363 179.8619 74 R 4.4349 7.6273 117.3386 58.9500 29.6750 179.3777 75 I 4.0503 7.5117 119.0165 64.1567 37.1925 177.6753 76 L 4.4034 7.6735 115.9972 54.3588 41.3703 177.1518 77 G 4.0238 7.5238 105.8627 46.5283 0.0000 175.0600 78 L 4.2908 8.3196 121.8024 55.3135 42.5123 177.2752 79 L 4.6704 7.4243 118.6375 51.6187 43.8452 174.3801 80 P 4.6553 0.0000 0.0000 63.0411 31.7696 176.2293 81 F 4.2537 8.4932 117.0605 58.8426 39.5643 175.1599 82 T 4.4311 7.1889 113.2742 61.8963 70.0296 171.3723 83 E 4.8836 8.3395 118.0070 55.5110 32.4152 176.0532 84 K 4.3695 8.7833 121.8993 55.4848 33.2789 176.9693 85 L 4.0137 8.5612 124.6827 55.0220 42.1834 176.8717 86 V 4.1000 8.1490 122.5831 62.4324 33.2360 174.4686 87 R 3.6878 8.2511 125.1682 56.7477 27.3237 175.9241 88 K 4.1503 7.9089 121.5027 56.0413 32.2206 175.8928 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 19 K 8.31 4.17 0.00 1.71 1.89 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.50 7.81 20 A 6.95 4.87 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 21 K 8.01 4.69 0.00 1.77 1.74 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.34 7.81 22 V 7.86 3.49 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 0.73 0.00 0.00 23 K 7.89 4.36 0.00 2.10 1.92 0.00 2.04 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.50 7.81 24 A 8.13 4.23 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 25 T 7.52 4.39 4.18 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 1.17 0.00 0.00 26 L 8.24 4.58 0.00 1.93 1.89 0.52 0.79 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 27 G 8.63 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.65 4.18 0.00 1.97 1.88 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 2.25 2.28 0.00 29 F 7.58 4.83 0.00 3.11 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 30 D 8.50 4.75 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.38 4.81 0.00 1.77 1.91 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.53 4.39 0.00 2.01 2.04 0.00 3.27 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 33 D 7.81 4.25 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.78 4.40 0.00 3.10 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.71 0.00 1.72 1.86 0.00 3.11 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 36 N 7.56 5.05 0.00 2.68 2.66 0.00 0.00 6.97 7.68 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 37 V 7.50 2.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.92 0.00 0.00 38 E 8.90 3.88 0.00 1.90 2.02 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 2.31 2.40 0.00 39 V 7.71 3.60 2.19 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 0.85 0.00 0.00 0.89 0.00 0.00 40 L 8.47 4.22 0.00 1.82 1.73 0.98 1.01 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 41 K 9.96 3.41 0.00 1.86 1.90 0.00 1.50 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.49 7.81 42 R 7.44 4.13 0.00 1.84 1.50 0.00 3.02 0.00 0.00 3.06 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.50 0.00 43 F 8.89 4.31 0.00 3.28 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 5.34 0.00 1.68 1.61 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.92 5.01 0.00 3.97 4.01 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 0.00 0.00 0.00 46 E 8.78 4.05 0.00 1.98 2.06 0.00 0.00 0.00 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 2.27 0.00 47 T 7.80 4.37 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 48 G 7.82 4.09 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 0.00 0.00 0.00 49 K 7.72 4.25 0.00 1.85 1.76 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.48 7.81 50 I 8.01 4.44 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.74 0.93 0.00 0.00 51 L 8.23 4.42 0.00 1.73 1.64 0.99 1.49 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 52 P 0.00 4.45 0.00 2.09 2.06 0.00 3.61 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 2.14 2.16 0.00 53 R 8.61 4.24 0.00 1.89 1.99 0.00 3.14 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 54 R 7.92 4.36 0.00 1.82 1.96 0.00 3.24 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 55 R 8.54 4.84 0.00 1.79 1.90 0.00 3.29 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 1.57 1.72 0.00 56 T 8.30 3.95 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 57 G 8.31 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.64 4.49 0.00 1.72 1.63 1.20 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.62 4.38 0.00 4.03 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 60 A 8.04 3.75 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 61 K 7.48 3.43 0.00 1.82 1.68 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.53 7.81 62 E 8.35 4.00 0.00 2.20 2.21 0.00 0.00 0.00 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 2.54 0.00 63 Q 8.31 3.96 0.00 2.30 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 64 R 8.45 4.04 0.00 1.95 1.94 0.00 3.21 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 1.66 0.00 65 I 7.86 3.63 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.01 0.91 0.00 0.00 66 L 8.25 4.01 0.00 1.57 1.62 0.42 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.90 3.93 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 68 K 8.26 3.82 0.00 2.04 1.83 0.00 1.51 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.50 7.81 69 T 7.57 4.20 4.32 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 1.33 0.00 0.00 70 I 7.72 3.64 1.94 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 1.46 1.18 0.87 0.00 0.00 71 K 7.84 3.83 0.00 1.88 1.90 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.58 7.81 72 R 7.50 3.97 0.00 2.14 1.78 0.00 3.11 0.00 0.00 2.81 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.87 0.00 73 A 7.84 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.63 4.43 0.00 1.13 0.66 0.00 2.95 0.00 0.00 2.84 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.50 0.00 75 I 7.51 4.05 2.07 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 1.72 0.78 0.95 0.00 0.00 76 L 7.67 4.40 0.00 1.81 1.73 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.52 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 78 L 8.32 4.29 0.00 1.61 1.73 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.42 4.67 0.00 1.51 1.43 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.66 0.00 2.38 2.07 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 81 F 8.49 4.25 0.00 3.05 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 82 T 7.19 4.43 4.32 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 1.28 0.00 0.00 83 E 8.34 4.88 0.00 1.93 1.86 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 2.18 2.29 0.00 84 K 8.78 4.37 0.00 1.67 1.78 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.42 7.81 85 L 8.56 4.01 0.00 1.62 1.62 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.15 4.10 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 0.78 0.00 0.00 0.99 0.00 0.00 87 R 8.25 3.69 0.00 1.97 1.93 0.00 3.27 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 88 K 7.91 4.15 0.00 1.75 1.66 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.36 7.81