NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4117 8.4345 117.1005 57.8995 63.9509 174.0335 *5 W 4.4606 8.1659 117.9974 55.3910 28.5815 170.9787 6 H 4.7941 8.6121 132.0833 54.0123 30.4390 174.0490 7 R 4.0563 8.1945 116.1457 55.2627 30.0957 176.3491 8 P 4.6284 0.0000 0.0000 63.4122 32.4602 175.9510 9 D 4.9963 8.2298 118.5626 50.9140 42.6713 176.1869 10 K 4.1467 8.7385 123.1784 56.1995 32.1921 177.2847 11 C 4.9499 8.5835 120.7910 55.2546 43.1031 173.7381 12 C 4.8106 8.4982 118.2872 55.6879 40.9314 173.8939 13 L 4.0610 8.4634 124.5619 55.0515 42.5466 176.0773 14 G 4.0763 7.4151 105.0026 43.5775 0.0000 171.1304 15 Y 5.1517 7.9927 115.2142 55.9188 41.6596 175.1296 16 Q 4.0738 9.3633 126.6233 56.2558 28.6994 175.8374 17 K 4.1268 8.1189 127.1446 59.3152 33.3717 176.9945 18 R 3.7624 7.8650 119.6270 54.2297 30.7823 175.3673 19 P 2.0000 0.0000 0.0000 61.9409 31.6553 175.9930 20 L 4.1881 7.6027 122.6625 53.6994 42.5538 175.1595 21 P 4.4659 0.0000 0.0000 61.9086 32.4880 177.0999 22 Q 3.9179 8.8051 123.1607 59.4960 29.0199 179.0853 23 V 3.7372 7.7374 108.5903 63.4317 31.9811 176.8094 24 L 4.3445 7.7751 119.3257 55.2714 42.1824 176.3447 25 L 5.0698 7.7750 118.6577 53.2131 43.4012 176.0741 26 S 4.6292 9.2639 115.7229 58.1885 64.2488 173.5664 27 S 5.1541 7.7048 112.6690 58.7989 65.5144 175.5837 28 W 5.4652 8.1574 115.1901 55.9859 31.5606 173.1764 29 Y 4.4169 9.0425 119.3906 54.5081 41.0288 173.0037 30 P 5.0485 0.0000 0.0000 62.8508 32.9720 175.4053 31 T 4.4901 8.4515 112.1469 60.0590 70.8719 174.4819 32 S 4.2811 8.4801 115.8273 58.4082 62.8452 174.8324 33 Q 4.1919 8.5844 123.6164 57.8811 28.6374 176.9666 34 L 4.4853 8.1264 117.1129 54.5272 42.1968 176.2956 35 C 4.4776 7.6508 116.5539 56.6879 40.8459 173.6617 36 S 4.2480 8.8428 117.0888 60.9894 61.8775 174.6927 37 K 4.7851 7.5657 116.2213 53.1199 35.5023 174.1704 38 P 4.3823 0.0000 0.0000 63.3412 31.7345 175.9421 39 G 4.3573 8.5703 108.0029 45.0433 0.0000 171.9557 40 V 4.8520 8.0927 116.2164 59.2741 35.1305 174.8305 41 I 4.6602 8.2463 124.1927 59.5024 39.8172 174.6974 42 F 5.2237 8.6814 126.8074 56.7288 40.6454 174.9503 43 L 4.9005 10.1550 125.3255 54.1006 42.9162 176.6169 44 T 4.7502 9.3710 115.3329 60.4556 70.8987 175.7558 45 K 4.1806 8.4215 119.0361 57.0108 31.8779 177.7149 46 R 4.5661 7.8057 117.9973 55.8571 31.1021 177.5796 47 G 4.0513 8.3706 108.5760 45.3998 0.0000 174.8754 48 R 4.0012 7.4712 118.4106 57.1497 31.0391 175.6101 49 Q 5.0903 8.7857 123.3100 54.4947 30.5822 175.2802 50 V 4.5449 8.5188 123.5735 61.0330 34.8443 174.0635 51 C 5.0726 8.9778 125.0326 57.1441 37.8021 172.4202 52 A 5.1251 8.8548 123.5882 50.2931 22.9053 175.3131 53 D 3.6960 8.3281 120.7616 52.3516 40.1809 177.1338 54 K 3.7956 8.0382 126.1383 58.4007 32.5619 177.5723 55 S 4.4963 7.8768 114.3587 58.2122 63.2766 174.3557 56 K 4.6268 7.1777 120.5296 54.5445 35.9884 176.5541 57 D 4.3740 8.6812 122.4521 57.5477 40.8177 179.4584 58 W 4.2873 8.1889 116.7816 59.1905 28.4043 178.8316 59 V 2.7459 6.4030 119.5424 64.2692 30.9806 178.3019 60 K 3.6983 7.6673 119.3126 58.7961 31.7751 179.0738 61 K 3.8149 7.7309 118.2323 59.8600 32.1864 179.2927 62 L 3.9836 7.6084 118.1902 57.9553 41.2005 179.5366 63 M 3.3454 7.5333 117.7756 57.7719 31.7533 178.3410 64 Q 4.2142 7.5556 117.7260 58.9732 29.1840 178.2194 65 Q 4.1384 8.2346 118.9394 57.1145 29.2247 176.6636 66 L 4.9019 7.2724 119.3874 52.0942 44.0805 174.3802 67 P 4.7779 0.0000 0.0000 62.5249 33.0309 175.4338 68 V 3.7966 8.0797 121.5109 60.9236 32.5093 175.6076 69 T 3.8174 9.2715 120.4381 64.1659 68.6721 174.9247 70 A 3.6533 9.0117 131.9641 54.6844 18.9054 177.8853 71 R 4.1394 7.1076 118.5740 56.1811 29.6394 181.3966 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 4 S 8.43 4.41 0.00 3.65 3.76 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 *5 W 8.17 4.46 0.00 2.54 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 0.00 0.00 0.00 0.00 6 H 8.61 4.79 0.00 3.05 3.20 0.00 5.76 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.19 4.06 0.00 1.86 1.75 0.00 3.31 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.24 0.00 8 P 0.00 4.63 0.00 2.18 2.08 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 9 D 8.23 5.00 0.00 2.68 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.74 4.15 0.00 1.85 1.87 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.51 7.81 11 C 8.58 4.95 0.00 2.92 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.50 4.81 0.00 3.00 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 13 L 8.46 4.06 0.00 1.53 1.62 0.89 0.83 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 14 G 7.42 4.08 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 0.00 0.00 0.00 15 Y 7.99 5.15 0.00 3.00 2.80 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 16 Q 9.36 4.07 0.00 2.17 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.01 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 17 K 8.12 4.13 0.00 1.88 1.83 0.00 1.55 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.43 1.58 7.81 18 R 7.86 3.76 0.00 1.62 1.79 0.00 3.15 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 19 P 0.00 2.00 0.00 1.42 0.62 0.00 3.28 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.03 0.00 20 L 7.60 4.19 0.00 1.85 1.60 1.00 1.08 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 21 P 0.00 4.47 0.00 2.15 1.91 0.00 3.58 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 22 Q 8.81 3.92 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 23 V 7.74 3.74 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 0.77 0.00 0.00 0.92 0.00 0.00 24 L 7.78 4.34 0.00 1.87 1.72 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.77 5.07 0.00 1.74 1.66 0.95 0.59 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 26 S 9.26 4.63 0.00 3.79 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 27 S 7.70 5.15 0.00 4.15 4.06 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 28 W 8.16 5.47 0.00 3.32 3.42 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 29 Y 9.04 4.42 0.00 2.83 2.79 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 30 P 0.00 5.05 0.00 2.17 2.31 0.00 3.67 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.88 0.00 31 T 8.45 4.49 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 1.15 0.00 0.00 32 S 8.48 4.28 0.00 3.90 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 33 Q 8.58 4.19 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 34 L 8.13 4.49 0.00 1.59 1.70 0.93 0.94 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 35 C 7.65 4.48 0.00 3.10 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 36 S 8.84 4.25 0.00 3.81 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 37 K 7.57 4.79 0.00 1.88 1.77 0.00 1.90 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.36 7.81 38 P 0.00 4.38 0.00 2.15 2.07 0.00 3.83 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 2.00 1.98 0.00 39 G 8.57 4.36 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 0.00 40 V 8.09 4.85 1.93 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 0.48 0.00 0.00 -0.13 0.00 0.00 41 I 8.25 4.66 0.56 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.52 0.88 0.00 0.00 42 F 8.68 5.22 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 10.15 4.90 0.00 1.90 1.73 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 44 T 9.37 4.75 4.43 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 1.38 0.00 0.00 45 K 8.42 4.18 0.00 1.73 1.91 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.47 7.81 46 R 7.81 4.57 0.00 1.96 1.88 0.00 3.22 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 47 G 8.37 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.47 4.00 0.00 1.93 1.97 0.00 3.27 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 49 Q 8.79 5.09 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.68 0.00 0.00 0.00 0.00 0.00 2.51 2.68 0.00 50 V 8.52 4.54 2.28 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 1.13 0.00 0.00 1.04 0.00 0.00 51 C 8.98 5.07 0.00 2.98 3.26 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 52 A 8.85 5.13 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.33 3.70 0.00 1.58 2.18 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 54 K 8.04 3.80 0.00 1.65 1.66 0.00 1.50 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.30 7.81 55 S 7.88 4.50 0.00 3.94 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 56 K 7.18 4.63 0.00 1.73 1.72 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.40 7.81 57 D 8.68 4.37 0.00 2.78 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 58 W 8.19 4.29 0.00 3.58 3.28 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 59 V 6.40 2.75 0.87 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 0.45 0.00 0.00 0.58 0.00 0.00 60 K 7.67 3.70 0.00 1.72 1.80 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.51 7.81 61 K 7.73 3.81 0.00 2.06 1.87 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.66 7.81 62 L 7.61 3.98 0.00 1.49 1.32 0.50 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 63 M 7.53 3.35 0.00 1.41 1.98 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 1.12 0.00 64 Q 7.56 4.21 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 65 Q 8.23 4.14 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 66 L 7.27 4.90 0.00 2.21 1.97 0.98 1.07 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 67 P 0.00 4.78 0.00 2.14 2.21 0.00 3.84 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 68 V 8.08 3.80 1.66 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 0.43 0.00 0.00 -0.63 0.00 0.00 69 T 9.27 3.82 4.15 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 1.01 0.00 0.00 70 A 9.01 3.65 1.23 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 0.00 0.00 71 R 7.11 4.14 0.00 1.66 1.69 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 * Residues marked with a * may have inaccurate shift predictions.