NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1367 8.2549 120.8440 55.0121 31.5620 175.1962 2 P 3.9926 0.0000 0.0000 60.9682 31.6374 175.4470 3 D 4.5576 8.3705 120.2930 54.4596 40.5122 176.2976 4 F 4.8095 7.1577 114.5813 57.3809 39.0101 178.1123 5 C 4.5682 7.6759 118.5097 59.1606 40.0883 174.2505 6 L 4.7442 7.8250 117.7467 54.3961 41.5928 176.1492 7 E 4.3799 7.7912 119.1199 54.7630 30.2565 174.9531 8 P 4.3353 0.0000 0.0000 61.6454 32.0488 174.4185 9 P 3.7057 0.0000 0.0000 62.5894 31.5119 175.4685 10 Y 4.5494 7.5676 119.4240 55.9654 40.2761 175.2272 11 T 4.1945 8.2688 125.6274 64.8603 68.8568 176.2913 12 G 3.8285 6.6986 108.2685 43.8994 0.0000 171.0642 13 P 4.3817 0.0000 0.0000 63.5032 31.9642 176.9821 14 G 4.0128 7.5703 108.1651 45.3097 0.0000 174.1118 15 K 4.2815 8.2291 118.2610 55.9061 32.9294 176.6775 16 A 4.1891 7.3999 121.7422 51.8985 20.0362 177.0726 17 R 4.9133 8.1387 117.2241 54.3120 30.8792 173.2958 18 I 4.2740 8.7243 122.9132 59.5773 39.4718 174.8335 19 I 4.3721 8.3643 128.5260 61.0050 37.5089 175.3394 20 R 4.7258 8.1668 126.5863 54.5336 33.7633 174.4903 21 Y 5.5921 9.3870 117.0890 56.5463 41.4311 175.3907 22 F 5.7859 9.5965 117.1656 55.2119 41.8105 173.1936 23 Y 4.4728 9.8780 122.4349 57.1906 39.9213 173.7771 24 N 4.7129 8.3521 126.9415 52.5695 39.4649 175.0526 25 A 3.9836 9.2454 132.4613 56.1746 18.6064 179.3458 26 K 4.1061 8.1293 114.8848 57.2603 32.0355 180.1169 27 A 4.1646 8.2637 121.1595 52.2399 18.9411 177.9614 28 G 3.7658 8.0680 103.5672 45.9439 0.0000 173.2415 29 L 4.8828 7.0075 117.4297 51.9947 45.7135 175.8292 30 A 4.6212 8.5065 123.4258 52.2719 19.2693 177.0013 31 Q 4.6879 8.8427 120.0143 54.1207 33.4124 175.0654 32 T 4.5823 8.4803 112.3285 61.8840 70.2577 173.2265 33 F 5.0268 9.0366 117.1584 55.8442 42.0929 172.9893 34 V 4.2925 8.4328 119.7761 62.1575 32.2116 174.1638 35 Y 4.8387 8.8016 130.0122 55.8997 41.0505 176.1012 36 G 3.9662 8.1567 112.8002 45.8444 0.0000 175.1737 37 G 3.7989 6.6576 108.3190 44.7579 0.0000 173.4480 38 A 4.7033 6.3842 120.1982 51.5562 22.1970 175.2288 39 R 3.9166 8.8384 116.1510 56.6515 27.3502 176.8998 40 A 4.1505 8.4864 119.0528 52.9382 18.7608 178.5037 41 K 4.2945 8.3128 120.5474 55.1431 33.8724 177.0230 42 R 3.6218 7.9295 117.3760 58.0242 30.4501 177.3143 43 N 4.9320 7.7240 118.4256 51.3796 36.7848 173.5479 44 N 5.0219 6.6118 116.6631 52.8980 41.5898 173.4710 45 F 5.0960 9.6747 125.4076 55.6614 43.0166 176.5903 46 K 4.3817 9.1175 119.5045 58.0905 32.8286 177.7164 47 S 4.2365 7.7189 112.7661 55.4322 67.0419 174.5445 48 A 3.6079 7.0031 124.9605 55.2700 18.0306 180.0390 49 E 3.8380 7.7771 115.4881 59.4553 29.7646 178.9851 50 D 4.2036 8.0697 119.7955 56.9618 40.8045 178.3940 51 A 2.0000 7.4561 121.0152 54.6044 18.2678 179.7684 52 L 3.8392 7.8229 117.4252 57.8125 41.4548 179.8314 53 R 3.8140 7.7701 117.3149 59.4240 30.0378 178.8647 54 T 4.1511 7.4494 114.2660 65.6950 68.9230 175.1103 55 C 4.4757 7.8263 114.8178 56.1653 41.7530 174.7123 56 G 3.6493 7.7205 109.3644 45.3707 0.0000 173.0917 57 G 4.0413 8.9507 115.6594 46.0743 0.0000 173.3394 58 A 4.2702 7.4335 126.9007 51.2480 18.6031 176.5432 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 R 8.25 4.14 0.00 1.70 1.80 0.00 3.14 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.45 0.00 2 P 0.00 3.99 0.00 1.00 1.62 0.00 3.35 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 1.89 2.00 0.00 3 D 8.37 4.56 0.00 2.79 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 4 F 7.16 4.81 0.00 3.22 3.30 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 5 C 7.68 4.57 0.00 2.95 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 6 L 7.82 4.74 0.00 1.64 1.72 1.09 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.79 4.38 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 8 P 0.00 4.34 0.00 2.07 1.97 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 9 P 0.00 3.71 0.00 0.91 0.49 0.00 3.22 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.58 0.00 10 Y 7.57 4.55 0.00 2.78 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 11 T 8.27 4.19 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 12 G 6.70 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.38 0.00 2.18 2.18 0.00 4.00 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 14 G 7.57 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 0.00 0.00 0.00 15 K 8.23 4.28 0.00 1.69 1.80 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.36 7.81 16 A 7.40 4.19 1.17 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 0.00 0.00 0.00 0.00 0.00 17 R 8.14 4.91 0.00 1.60 1.78 0.00 3.16 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 18 I 8.72 4.27 2.02 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 1.22 0.54 0.97 0.00 0.00 19 I 8.36 4.37 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.70 0.72 0.00 0.00 20 R 8.17 4.73 0.00 0.83 1.96 0.00 3.42 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 21 Y 9.39 5.59 0.00 3.16 3.04 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 22 F 9.60 5.79 0.00 3.32 2.95 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 0.00 0.00 0.00 0.00 23 Y 9.88 4.47 0.00 3.05 3.21 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 0.00 0.00 0.00 24 N 8.35 4.71 0.00 2.24 2.44 0.00 0.00 6.61 8.75 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 25 A 9.25 3.98 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 26 K 8.13 4.11 0.00 1.79 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.00 7.81 27 A 8.26 4.16 1.24 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 0.00 0.00 0.00 28 G 8.07 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 0.00 0.00 0.00 29 L 7.01 4.88 0.00 1.41 1.44 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.51 4.62 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 31 Q 8.84 4.69 0.00 1.04 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.89 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 32 T 8.48 4.58 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 0.55 0.00 0.00 33 F 9.04 5.03 0.00 3.11 3.25 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 0.00 34 V 8.43 4.29 2.09 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 0.72 0.00 0.00 0.92 0.00 0.00 35 Y 8.80 4.84 0.00 2.49 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 36 G 8.16 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.66 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 0.00 0.00 0.00 38 A 6.38 4.70 1.17 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 0.00 0.00 0.00 0.00 0.00 39 R 8.84 3.92 0.00 2.19 2.22 0.00 3.32 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 40 A 8.49 4.15 1.09 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 41 K 8.31 4.29 0.00 1.68 1.64 0.00 1.48 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.03 1.03 7.81 42 R 7.93 3.62 0.00 0.67 0.66 0.00 2.67 0.00 0.00 2.89 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.23 0.00 43 N 7.72 4.93 0.00 3.25 2.87 0.00 0.00 6.73 7.79 0.00 0.00 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 N 6.61 5.02 0.00 2.72 2.56 0.00 0.00 7.08 7.02 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 45 F 9.67 5.10 0.00 3.22 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.12 4.38 0.00 1.83 1.94 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.48 7.81 47 S 7.72 4.24 0.00 3.79 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.00 3.61 1.03 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 49 E 7.78 3.84 0.00 2.13 2.13 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 2.25 2.32 0.00 50 D 8.07 4.20 0.00 2.93 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 51 A 7.46 2.00 1.24 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 0.00 0.00 0.00 52 L 7.82 3.84 0.00 1.61 1.66 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.77 3.81 0.00 1.88 1.94 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 54 T 7.45 4.15 4.11 0.00 0.00 0.00 0.00 0.00 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 55 C 7.83 4.48 0.00 2.61 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 0.00 0.00 0.00 0.00 56 G 7.72 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 0.00 0.00 0.00 57 G 8.95 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 A 7.43 4.27 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00