NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1622 8.3101 121.7896 56.2502 34.0774 175.3176 20 A 4.3378 7.3146 115.3264 50.7026 19.5996 172.6144 21 K 4.1799 8.0063 120.5840 56.8227 33.5405 176.6166 22 V 3.9086 8.0324 122.4490 63.5585 31.4102 176.5197 23 K 4.2945 8.0842 120.0924 59.1612 32.3716 177.7986 24 A 5.3970 7.8500 119.4461 52.5857 19.3573 177.2998 25 T 4.4498 7.9283 116.1448 65.0597 70.2232 174.7520 26 L 5.1293 7.1712 121.8726 53.4573 44.9387 175.0000 27 G 4.1249 8.1296 112.9698 46.3014 0.0000 175.8707 28 E 4.3353 8.9933 126.6391 54.7686 28.0662 174.6471 29 F 4.8752 8.0591 117.5852 54.4787 40.2013 174.7331 30 D 4.4028 8.7231 124.4481 53.4593 41.3881 176.5038 31 L 4.5882 8.0666 131.4964 55.9685 40.4740 176.7986 32 R 4.5259 8.0240 116.0591 56.4451 32.0343 173.9210 33 D 4.7046 7.8411 117.0230 53.8394 41.8787 175.6926 34 Y 4.9381 7.8037 125.7269 57.0702 38.7260 176.6726 35 R 4.5406 7.9673 119.2743 56.8255 33.4019 177.2597 36 N 4.7411 7.7540 116.1638 52.2749 33.4376 175.7228 37 V 3.6620 7.7325 120.7765 65.4715 31.9660 177.7492 38 E 3.7639 8.0435 116.9541 59.0977 29.1433 179.1837 39 V 3.4953 7.6189 117.8548 65.8600 31.7056 177.8419 40 L 4.3044 7.9372 118.5225 58.0095 41.4060 179.3967 41 K 3.7774 8.4722 118.6544 59.4442 31.9790 176.8831 42 R 4.0755 6.9830 115.2909 56.6747 29.9855 176.1304 43 F 5.1791 8.6183 115.0464 57.4602 39.9665 176.0679 44 L 5.9520 7.7727 118.9620 55.2327 42.8734 176.2825 45 S 3.3279 7.8062 113.3786 59.8866 64.0993 172.5472 46 E 4.6794 8.7789 122.9136 56.6631 30.1795 176.2267 47 T 4.4988 8.4010 110.0441 61.0628 70.4467 175.7338 48 G 4.0254 7.8312 108.6763 44.9544 0.0000 173.8663 49 K 4.2590 7.6915 119.0954 55.4620 32.9939 176.4291 50 I 4.0528 8.0738 122.8872 61.3733 37.5886 176.0137 51 L 4.3099 8.1601 125.5629 53.2424 42.4894 176.0382 52 P 4.5128 0.0000 0.0000 63.0361 33.2045 177.2000 53 R 4.0783 8.4561 115.2867 59.0952 29.8947 178.9407 54 R 3.9494 7.9528 116.7791 58.9137 29.8193 175.9241 55 R 4.5393 7.7059 114.2466 57.8130 33.1083 177.8988 56 T 3.8965 8.5804 108.8849 63.1518 69.1729 174.3596 57 G 3.9266 7.8211 109.3266 45.7394 0.0000 171.3259 58 L 4.9290 7.3267 120.7771 51.7278 45.5728 176.5254 59 S 4.3278 8.4821 113.5204 58.0237 64.2487 174.7963 60 A 3.9547 8.3989 125.7895 55.2470 18.0050 179.8139 61 K 3.8852 7.9901 117.5361 59.5403 31.9754 178.5754 62 E 3.8818 7.9938 118.3317 59.5641 29.5405 178.6176 63 Q 3.9593 8.0228 119.3871 60.1366 29.0706 178.2130 64 R 3.8626 8.0032 118.1265 59.7796 30.0550 178.6903 65 I 3.7674 7.9927 113.5206 63.7572 37.5347 178.1047 66 L 3.7951 8.1611 122.7885 57.9540 41.9005 178.3083 67 A 3.9181 8.0147 120.5437 55.2554 18.4083 179.6313 68 K 3.8437 7.8355 116.3872 59.9027 32.1845 179.6036 69 T 3.8980 7.6972 109.4239 65.0173 68.5897 176.3274 70 I 3.7180 8.0445 122.9324 63.9059 37.0559 178.5506 71 K 3.8009 8.1403 119.3370 59.4568 31.9405 179.1880 72 R 3.7952 7.7475 117.8495 59.4783 30.1416 178.5043 73 A 4.1001 8.0831 120.0874 55.7506 18.3861 179.9884 74 R 3.8493 7.8394 116.1430 59.1627 29.7293 179.3724 75 I 3.9411 7.4838 118.9314 64.4818 37.3453 178.0837 76 L 4.2998 7.7467 116.2128 55.3292 41.4002 178.1735 77 G 3.9955 7.8173 106.9532 45.8741 0.0000 173.9733 78 L 4.5292 7.6956 117.7314 54.0783 41.6347 176.4515 79 L 4.4375 7.1771 115.4597 53.2556 45.2650 172.9327 80 P 4.5419 0.0000 0.0000 62.8034 31.9092 176.6438 81 F 4.2344 8.6391 119.3119 59.0101 39.7749 176.3203 82 T 4.5849 7.2416 113.9187 63.0905 71.5072 172.1343 83 E 4.8324 9.3488 122.4689 54.7736 33.2058 174.6211 84 K 4.5216 8.4702 119.7935 54.7503 33.5580 176.7481 85 L 3.9550 8.5763 125.9496 55.1493 42.6281 176.8193 86 V 4.0327 8.0228 124.1962 61.6848 31.9012 171.0992 87 R 4.0777 8.7016 133.6230 55.7112 30.8389 175.8950 88 K 4.1613 8.4898 124.5533 56.5644 32.4948 175.3126 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 4.16 0.00 1.72 1.91 0.00 1.69 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 1.32 1.51 7.81 20 A 7.31 4.34 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 21 K 8.01 4.18 0.00 1.82 1.80 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.40 7.81 22 V 8.03 3.91 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 0.61 0.00 0.00 1.00 0.00 0.00 23 K 8.08 4.29 0.00 2.14 1.86 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.53 7.81 24 A 7.85 5.40 1.29 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 0.00 0.00 0.00 25 T 7.93 4.45 4.16 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 0.00 0.00 0.00 1.14 0.00 0.00 26 L 7.17 5.13 0.00 1.41 1.39 0.06 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.13 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.99 4.34 0.00 2.01 1.95 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 2.30 2.32 0.00 29 F 8.06 4.88 0.00 3.15 3.01 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 30 D 8.72 4.40 0.00 2.75 2.61 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 0.00 31 L 8.07 4.59 0.00 1.88 2.00 0.90 0.33 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 32 R 8.02 4.53 0.00 1.78 2.28 0.00 3.32 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 33 D 7.84 4.70 0.00 2.67 2.57 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 0.00 34 Y 7.80 4.94 0.00 3.11 3.01 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 35 R 7.97 4.54 0.00 1.72 1.86 0.00 3.06 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.94 0.00 36 N 7.75 4.74 0.00 2.98 3.00 0.00 0.00 6.82 7.55 0.00 0.00 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 7.73 3.66 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 1.06 0.00 0.00 0.93 0.00 0.00 38 E 8.04 3.76 0.00 1.90 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 2.28 2.34 0.00 39 V 7.62 3.50 2.25 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 0.89 0.00 0.00 0.92 0.00 0.00 40 L 7.94 4.30 0.00 1.81 1.83 1.07 1.14 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 41 K 8.47 3.78 0.00 1.74 1.84 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.49 7.81 42 R 6.98 4.08 0.00 1.55 1.27 0.00 3.01 0.00 0.00 3.07 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.41 0.00 43 F 8.62 5.18 0.00 3.24 2.87 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 0.00 0.00 0.00 44 L 7.77 5.95 0.00 1.84 1.57 1.02 1.18 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 45 S 7.81 3.33 0.00 4.05 3.88 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 46 E 8.78 4.68 0.00 1.94 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 2.19 2.19 0.00 47 T 8.40 4.50 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 1.22 0.00 0.00 48 G 7.83 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 49 K 7.69 4.26 0.00 1.84 1.74 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.47 7.81 50 I 8.07 4.05 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.88 0.00 0.00 51 L 8.16 4.31 0.00 1.86 1.66 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.51 0.00 2.34 2.23 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 53 R 8.46 4.08 0.00 1.88 2.01 0.00 3.16 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.70 0.00 54 R 7.95 3.95 0.00 1.78 2.06 0.00 3.15 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 55 R 7.71 4.54 0.00 1.83 1.89 0.00 3.31 0.00 0.00 3.40 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 56 T 8.58 3.90 4.35 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 1.40 0.00 0.00 57 G 7.82 3.93 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 0.00 0.00 0.00 58 L 7.33 4.93 0.00 1.57 1.66 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.48 4.33 0.00 3.95 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.40 3.95 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 61 K 7.99 3.89 0.00 1.82 1.80 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.51 7.81 62 E 7.99 3.88 0.00 2.21 1.95 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 2.36 2.34 0.00 63 Q 8.02 3.96 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 64 R 8.00 3.86 0.00 2.12 1.87 0.00 3.17 0.00 0.00 3.20 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 65 I 7.99 3.77 1.85 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 1.38 0.72 0.90 0.00 0.00 66 L 8.16 3.80 0.00 1.60 1.72 0.67 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.01 3.92 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 68 K 7.84 3.84 0.00 1.86 1.85 0.00 1.54 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 69 T 7.70 3.90 4.35 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 1.39 0.00 0.00 70 I 8.04 3.72 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.60 0.89 0.00 0.00 71 K 8.14 3.80 0.00 1.94 1.81 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.54 7.81 72 R 7.75 3.80 0.00 1.93 1.72 0.00 2.82 0.00 0.00 2.58 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 73 A 8.08 4.10 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.84 3.85 0.00 1.65 0.91 0.00 2.88 0.00 0.00 2.67 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.41 0.00 75 I 7.48 3.94 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.75 0.96 0.00 0.00 76 L 7.75 4.30 0.00 1.87 1.80 1.00 0.97 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 77 G 7.82 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 4.53 0.00 1.74 1.73 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.18 4.44 0.00 1.57 1.45 0.95 1.06 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 80 P 0.00 4.54 0.00 2.06 2.02 0.00 3.66 0.00 0.00 3.67 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 81 F 8.64 4.23 0.00 3.00 3.13 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 0.00 0.00 0.00 82 T 7.24 4.58 4.33 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 1.25 0.00 0.00 83 E 9.35 4.83 0.00 1.89 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 2.33 2.28 0.00 84 K 8.47 4.52 0.00 1.67 1.77 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.69 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.38 7.81 85 L 8.58 3.96 0.00 1.59 1.57 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.02 4.03 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 0.86 0.00 0.00 0.99 0.00 0.00 87 R 8.70 4.08 0.00 2.00 1.99 0.00 3.23 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 88 K 8.49 4.16 0.00 1.70 1.60 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.39 7.81