NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1557 7.9829 118.5496 60.1619 38.0882 178.3697 3 D 4.1820 8.2855 118.7049 56.0334 39.8803 179.1546 4 T 4.5896 8.0450 112.0735 60.7332 70.1739 176.5971 5 A 4.5462 7.8491 124.0493 53.8339 21.2662 179.1739 6 A 4.2525 8.0676 118.5318 54.7261 17.9648 180.1304 7 K 4.1416 8.1127 124.3036 59.5872 31.7665 185.0000 *8 F 4.5649 8.0185 120.9595 61.7890 38.1384 182.3406 9 I 4.5944 7.6658 115.6902 62.5177 35.7746 180.9259 10 G 4.0904 7.6872 105.9280 46.7012 0.0000 175.5779 11 A 4.4199 7.5789 120.4766 53.8179 19.2478 179.3663 12 G 3.6523 7.9806 104.2468 47.6076 0.0000 175.7067 13 A 4.1614 7.9535 123.1590 54.2350 19.2829 178.9546 14 A 4.1474 7.8866 119.8008 55.2555 19.0060 179.4603 15 T 4.4553 7.6551 111.7238 64.2217 68.2666 182.3663 16 V 4.2570 7.5296 120.0452 65.3230 31.8770 182.8860 17 G 4.1415 7.8561 104.7786 47.5022 0.0000 175.4645 18 V 4.2954 7.2684 120.9501 63.0805 31.5564 182.4252 19 A 4.8094 7.7533 120.3218 53.5100 19.1896 179.4491 20 G 3.5849 7.7089 105.9031 46.5543 0.0000 176.6303 21 S 4.6749 7.5549 120.3051 61.3416 62.0709 179.2687 22 G 4.0294 7.6065 103.1684 46.8222 0.0000 175.0817 23 A 4.3468 7.5909 120.8209 52.6142 19.3626 178.9864 24 G 3.6131 7.9890 106.8771 47.5106 0.0000 176.9906 25 I 3.9797 7.7454 122.1066 64.7948 35.3731 182.1280 26 G 3.8995 7.6025 108.8306 48.6213 0.0000 176.3985 27 T 4.2222 7.7152 118.8329 66.1470 68.5301 181.1165 28 V 4.0608 7.8783 123.9682 66.4429 31.8585 182.3421 *29 F 4.9837 8.3320 120.6320 59.1807 39.1706 178.8235 30 G 4.1298 8.3119 111.5007 47.8904 0.0000 176.6213 31 S 4.4082 7.9482 120.2506 62.3603 62.0769 177.8647 32 L 4.8890 7.8075 123.6615 57.9465 40.3212 183.1935 33 I 4.6512 7.5583 122.9859 64.2853 37.6046 182.3201 34 I 4.3439 7.8711 118.4371 63.5865 35.5749 181.3063 35 G 4.0858 7.9637 107.0915 48.4266 0.0000 176.0495 *36 Y 4.1379 7.7938 121.3339 60.8344 36.8567 180.4834 37 A 4.3420 7.4614 122.3540 56.2250 18.4841 180.1871 38 R 4.0289 7.6672 121.0756 59.1843 29.7105 181.5964 39 N 4.5419 7.4159 118.6490 51.8441 37.7349 175.4319 40 P 5.0224 0.0000 0.0000 63.6446 32.0113 176.8256 41 S 4.7146 7.7931 118.3472 58.1532 61.1617 177.2975 42 L 4.0883 7.3648 129.9518 57.5016 41.9784 180.2635 43 K 4.2292 7.7931 122.0054 55.1497 33.0068 181.1749 44 Q 3.8728 8.8926 120.0688 57.2211 26.8980 175.1327 45 Q 4.6619 7.5512 118.0202 59.3065 30.5391 182.2182 46 L 4.3083 8.1034 123.7252 60.0503 41.2081 182.1373 *47 F 4.4822 7.9588 122.9597 61.6104 37.8642 180.4862 48 S 4.5311 8.1073 119.1769 64.5293 62.0873 181.2827 *49 Y 4.2033 7.9634 122.8625 60.9158 36.6985 179.8383 50 A 4.3490 7.7788 122.1596 55.9128 17.1005 180.2933 51 I 3.8926 7.6506 120.3476 65.1288 35.3793 182.6584 52 L 4.7337 7.3025 119.9571 56.9634 41.0963 181.0431 53 G 4.1760 7.8223 108.2404 47.6332 0.0000 175.9122 *54 F 4.5575 7.8334 116.5669 56.4081 38.1521 178.5331 55 A 4.4308 7.5306 125.3262 54.8145 19.6376 179.3175 56 L 4.6169 8.0021 115.6859 54.8623 41.1885 180.5737 57 S 4.6007 7.7696 119.8802 61.3866 63.9133 180.0982 58 E 4.5500 7.9749 114.8465 55.5480 29.4916 179.4407 59 A 4.1112 7.9401 126.0960 56.5750 18.6151 180.3230 60 M 4.3349 8.0935 112.8143 55.9573 32.2350 181.8494 61 G 3.7538 7.9209 105.7716 48.0774 0.0000 176.5999 62 L 4.1758 8.2148 126.9869 59.6833 39.3835 182.6031 *63 F 4.5251 8.0489 120.6651 61.6116 37.5526 180.6451 64 C 4.6920 7.6535 118.1841 61.8470 28.0940 181.1730 65 L 4.2594 8.0974 123.9315 59.2901 40.7248 184.1105 66 M 4.6003 7.9971 119.8185 59.4807 31.4324 184.6309 67 V 3.9210 7.1407 116.0420 66.2214 32.0250 183.1315 68 A 4.4607 7.7710 122.5877 55.4429 18.5051 180.2870 *69 F 4.1388 7.9616 120.3855 62.1110 37.8540 181.6068 70 L 4.5297 7.7686 122.1229 58.9463 40.9310 183.0063 71 I 4.8383 7.2535 120.4640 62.4714 37.0579 181.8614 72 L 4.8812 7.8693 122.1488 56.7789 47.1310 178.9940 *73 F 4.4390 7.7858 120.8059 56.3738 38.1703 177.4086 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 I 7.98 4.16 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 1.27 0.64 0.91 0.00 0.00 3 D 8.29 4.18 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.05 4.59 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 5 A 7.85 4.55 1.26 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 0.00 0.00 0.00 6 A 8.07 4.25 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 7 K 8.11 4.14 0.00 1.78 1.83 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.07 7.81 *8 F 8.02 4.56 0.00 2.39 2.23 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 9 I 7.67 4.59 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 1.57 1.17 0.91 0.00 0.00 10 G 7.69 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 11 A 7.58 4.42 1.42 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 12 G 7.98 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 13 A 7.95 4.16 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 14 A 7.89 4.15 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 15 T 7.66 4.46 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 16 V 7.53 4.26 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 0.74 0.00 0.00 0.93 0.00 0.00 17 G 7.86 4.14 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 0.00 0.00 0.00 18 V 7.27 4.30 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 0.80 0.00 0.00 0.93 0.00 0.00 19 A 7.75 4.81 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 20 G 7.71 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.55 4.67 0.00 3.73 3.79 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 0.00 0.00 0.00 0.00 22 G 7.61 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 23 A 7.59 4.35 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 24 G 7.99 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 0.00 0.00 0.00 0.00 25 I 7.75 3.98 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 1.57 0.70 0.91 0.00 0.00 26 G 7.60 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.72 4.22 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 28 V 7.88 4.06 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 0.71 0.00 0.00 0.93 0.00 0.00 *29 F 8.33 4.98 0.00 2.35 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 0.00 0.00 0.00 0.00 30 G 8.31 4.13 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 0.00 0.00 0.00 31 S 7.95 4.41 0.00 3.81 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 32 L 7.81 4.89 0.00 1.73 1.57 0.92 0.74 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 33 I 7.56 4.65 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 1.50 0.66 0.91 0.00 0.00 34 I 7.87 4.34 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 1.45 1.13 0.91 0.00 0.00 35 G 7.96 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 *36 Y 7.79 4.14 0.00 2.33 2.31 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 37 A 7.46 4.34 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.67 4.03 0.00 1.92 1.86 0.00 3.40 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 39 N 7.42 4.54 0.00 2.93 2.73 0.00 0.00 6.70 7.62 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 40 P 0.00 5.02 0.00 2.03 1.87 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.53 0.00 41 S 7.79 4.71 0.00 3.63 3.79 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 0.00 0.00 0.00 0.00 42 L 7.36 4.09 0.00 1.56 1.65 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.79 4.23 0.00 1.67 1.71 0.00 1.86 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.00 7.81 44 Q 8.89 3.87 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.85 0.00 0.00 0.00 0.00 0.00 2.16 1.91 0.00 45 Q 7.55 4.66 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.80 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 46 L 8.10 4.31 0.00 1.68 1.70 0.92 1.16 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 *47 F 7.96 4.48 0.00 2.30 2.32 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 48 S 8.11 4.53 0.00 3.73 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *49 Y 7.96 4.20 0.00 2.35 2.33 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 50 A 7.78 4.35 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 51 I 7.65 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 1.38 0.70 0.91 0.00 0.00 52 L 7.30 4.73 0.00 1.85 1.58 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.82 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 0.00 0.00 0.00 0.00 *54 F 7.83 4.56 0.00 2.33 2.17 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 55 A 7.53 4.43 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 56 L 8.00 4.62 0.00 1.66 1.53 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.77 4.60 0.00 3.66 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 58 E 7.97 4.55 0.00 1.88 1.94 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 2.27 1.86 0.00 59 A 7.94 4.11 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 60 M 8.09 4.33 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.10 0.00 61 G 7.92 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 62 L 8.21 4.18 0.00 1.67 1.69 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *63 F 8.05 4.53 0.00 2.33 2.32 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 64 C 7.65 4.69 0.00 2.64 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 65 L 8.10 4.26 0.00 1.65 1.69 0.92 0.77 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 66 M 8.00 4.60 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 67 V 7.14 3.92 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 0.92 0.00 0.00 0.93 0.00 0.00 68 A 7.77 4.46 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 *69 F 7.96 4.14 0.00 2.34 2.31 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 70 L 7.77 4.53 0.00 1.69 1.61 0.92 0.87 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 71 I 7.25 4.84 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 1.38 1.18 0.91 0.00 0.00 72 L 7.87 4.88 0.00 1.60 1.51 0.92 0.74 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 *73 F 7.79 4.44 0.00 2.31 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.