NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3581 8.2027 121.9780 55.4811 31.9147 173.8252 4 V 4.6391 7.7656 117.6870 59.9930 33.9245 172.8388 5 T 4.7504 9.1592 118.6860 60.0236 71.9558 172.7968 6 Q 4.5604 8.5152 122.0100 54.6978 30.9715 174.6170 7 S 4.2999 8.6240 117.7122 59.8367 62.0468 172.1406 8 P 4.3019 0.0000 0.0000 62.4419 30.9106 176.1647 9 E 3.9211 8.6446 124.4738 58.6431 29.9685 176.6906 10 A 4.5553 7.5485 121.6431 51.0353 20.3760 176.3630 11 L 4.5190 8.1060 121.1634 53.5454 44.8688 175.8131 12 R 4.4362 8.5489 125.3295 54.5344 31.2446 173.5156 13 L 4.9376 8.1263 124.2219 52.5248 44.6010 176.8165 14 Q 4.1269 8.5735 122.0395 55.2273 29.3637 175.2169 15 E 3.8008 8.5867 121.7849 57.9393 29.8018 177.1926 16 G 3.8574 9.1279 114.7742 45.0412 0.0000 172.7235 17 E 4.2634 7.8511 120.6182 54.4262 28.7591 175.8223 18 S 4.2992 8.4268 122.2129 58.4982 63.6418 174.0953 19 S 4.6448 7.6000 114.7956 58.0925 64.3956 176.1619 20 S 4.5942 8.5849 121.2290 56.2851 64.2211 173.5505 21 L 4.2501 8.2601 126.0083 54.1058 42.0020 176.6109 22 N 4.9053 8.6407 121.1324 53.4994 40.6139 174.9996 23 C 4.8664 8.5796 119.1833 56.3279 44.5034 173.0941 24 S 4.9132 9.1745 122.4330 57.3857 64.5590 172.1918 25 Y 5.2915 7.7208 120.5757 55.8932 40.6736 173.8447 26 T 4.9374 8.6647 113.4086 59.9615 70.7016 173.9738 27 V 4.5900 8.3488 123.8321 60.0361 34.6343 175.1371 28 S 4.2873 8.8747 118.4229 61.2033 62.9660 174.9810 29 G 4.1326 7.5718 106.2579 43.8087 0.0000 171.5756 30 L 4.2960 8.3138 124.4256 53.4231 42.7261 176.3060 31 R 4.1260 8.7830 127.0273 58.6603 30.7934 176.2839 32 G 3.8023 7.4707 104.0910 44.2132 0.0000 171.2340 *39 L 4.5417 8.0902 121.3835 54.7401 43.4269 175.3216 40 F 5.4263 8.7215 123.8595 55.5078 42.3411 174.3845 41 W 4.9082 8.9515 122.7707 55.3521 31.0757 174.8068 42 Y 5.0939 9.0748 121.6428 56.0899 41.1363 174.8513 43 R 4.7277 8.8165 121.4526 54.6407 32.9022 174.0370 44 Q 4.9433 8.8188 126.9084 54.5107 31.5310 174.6711 45 D 4.8158 8.6621 125.7441 52.0982 42.7547 174.2226 46 P 4.2722 0.0000 0.0000 63.8567 31.3606 175.9661 47 G 4.3485 8.7098 120.3531 45.6521 0.0000 174.3137 48 K 4.1121 7.6466 119.2109 55.7303 32.9147 176.4482 49 G 4.1896 8.1111 108.4525 42.8106 0.0000 171.6590 50 P 4.4804 0.0000 0.0000 63.3986 31.8615 175.5579 51 E 4.7430 9.5044 125.3154 54.8042 32.1520 174.2162 52 F 4.0306 8.6394 126.3757 57.6217 39.9916 173.9495 53 L 3.9045 7.1803 124.5166 55.5436 43.2719 176.6289 54 F 4.8754 6.6043 115.1616 56.0935 43.7670 172.8460 55 T 4.7963 8.9095 115.0564 60.2570 69.8687 173.0358 56 L 4.6207 8.3168 127.1879 53.3410 44.4710 175.8708 57 Y 4.6385 9.1400 119.8130 58.4307 40.3891 176.6194 58 S 4.5680 7.9635 112.6832 55.6098 65.7431 171.7778 59 A 4.1031 8.7848 126.9228 56.5864 17.5786 176.4451 60 G 3.7785 8.1530 109.3908 46.0592 0.0000 172.8567 61 E 4.0344 8.5053 123.3744 56.1707 30.6851 175.5901 *66 E 4.9085 8.4896 124.5620 56.5316 31.0620 175.2263 67 K 4.4860 7.5870 119.7290 55.5192 36.7215 175.9988 68 E 3.4170 8.0736 114.8804 54.8164 31.4698 179.7971 69 K 4.5545 8.5044 135.0000 57.5117 34.4143 175.1344 70 E 3.7761 8.2473 130.1859 57.6376 26.7460 178.6135 *78 R 4.5029 8.4497 124.8525 56.5333 31.8620 174.7318 79 L 4.6375 7.6333 118.5045 52.8593 43.7147 175.1852 80 K 5.1871 8.8010 124.2646 53.5419 34.6893 174.7171 81 A 4.5128 7.6813 128.2777 50.2939 21.8401 175.2044 82 T 5.0370 8.2941 116.6642 61.6749 72.9633 173.0439 83 L 4.9851 8.4799 126.9306 53.3282 45.2813 176.5527 84 T 4.2394 8.5388 114.5921 61.8595 68.8923 173.6143 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 3 Q 8.20 4.36 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 4 V 7.77 4.64 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 0.82 0.00 0.00 0.95 0.00 0.00 5 T 9.16 4.75 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 1.22 0.00 0.00 6 Q 8.52 4.56 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.14 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 7 S 8.62 4.30 0.00 3.97 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 8 P 0.00 4.30 0.00 2.11 2.04 0.00 3.81 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 2.05 2.09 0.00 9 E 8.64 3.92 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 2.31 2.34 0.00 10 A 7.55 4.56 1.25 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 0.00 0.00 11 L 8.11 4.52 0.00 1.57 1.51 0.92 0.83 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 12 R 8.55 4.44 0.00 1.73 1.79 0.00 3.29 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 13 L 8.13 4.94 0.00 1.61 1.52 0.92 0.99 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 14 Q 8.57 4.13 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 15 E 8.59 3.80 0.00 1.92 1.89 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 2.30 2.36 0.00 16 G 9.13 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 17 E 7.85 4.26 0.00 1.96 1.97 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 2.26 2.26 0.00 18 S 8.43 4.30 0.00 3.88 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 19 S 7.60 4.64 0.00 3.78 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.58 4.59 0.00 3.93 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 21 L 8.26 4.25 0.00 1.53 1.74 0.84 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.64 4.91 0.00 2.80 2.80 0.00 0.00 6.54 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 23 C 8.58 4.87 0.00 2.95 3.12 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 24 S 9.17 4.91 0.00 3.90 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.72 5.29 0.00 2.86 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.66 4.94 4.29 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 1.22 0.00 0.00 27 V 8.35 4.59 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 0.79 0.00 0.00 0.95 0.00 0.00 28 S 8.87 4.29 0.00 3.89 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 29 G 7.57 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 30 L 8.31 4.30 0.00 1.45 1.52 0.11 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.78 4.13 0.00 1.84 1.99 0.00 3.42 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 32 G 7.47 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 *39 L 8.09 4.54 0.00 1.47 1.37 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.72 5.43 0.00 3.18 3.17 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 41 W 8.95 4.91 0.00 3.42 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.07 5.09 0.00 2.85 2.93 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 43 R 8.82 4.73 0.00 1.89 1.75 0.00 3.03 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 44 Q 8.82 4.94 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 45 D 8.66 4.82 0.00 2.70 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 46 P 0.00 4.27 0.00 2.05 2.00 0.00 3.65 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 2.09 0.00 47 G 8.71 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 0.00 0.00 0.00 0.00 48 K 7.65 4.11 0.00 1.75 1.80 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.52 7.81 49 G 8.11 4.19 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 0.00 0.00 0.00 50 P 0.00 4.48 0.00 1.78 2.01 0.00 3.63 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.06 0.00 51 E 9.50 4.74 0.00 2.07 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 2.24 2.29 0.00 52 F 8.64 4.03 0.00 2.86 2.84 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 53 L 7.18 3.90 0.00 1.21 0.73 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 54 F 6.60 4.88 0.00 2.93 2.76 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 55 T 8.91 4.80 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 1.50 0.00 0.00 56 L 8.32 4.62 0.00 1.35 1.43 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 9.14 4.64 0.00 3.11 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 58 S 7.96 4.57 0.00 3.98 3.96 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 59 A 8.78 4.10 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 60 G 8.15 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.51 4.03 0.00 2.22 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 2.33 2.31 0.00 *66 E 8.49 4.91 0.00 1.86 1.80 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 2.20 2.30 0.00 67 K 7.59 4.49 0.00 1.22 1.69 0.00 1.92 0.00 0.00 1.97 0.00 0.00 3.02 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.42 1.39 7.81 68 E 8.07 3.42 0.00 2.22 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 2.42 2.43 0.00 69 K 8.50 4.55 0.00 1.82 2.10 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.47 7.81 70 E 8.25 3.78 0.00 2.20 1.52 0.00 0.00 0.00 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 2.25 0.00 *78 R 8.45 4.50 0.00 1.81 2.01 0.00 3.22 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 79 L 7.63 4.64 0.00 1.77 1.61 0.96 0.75 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 80 K 8.80 5.19 0.00 1.61 1.53 0.00 1.52 0.00 0.00 0.61 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.19 1.12 7.81 81 A 7.68 4.51 0.45 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 82 T 8.29 5.04 4.19 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 1.21 0.00 0.00 83 L 8.48 4.99 0.00 1.70 1.51 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.54 4.24 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 * Residues marked with a * may have inaccurate shift predictions.