NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6129 8.4444 120.3975 56.1945 31.8843 172.6455 *2 H 4.4719 8.0653 116.0438 55.9651 32.1699 172.1301 3 V 4.9367 7.8724 123.3107 60.9783 33.6050 174.4329 4 W 4.7299 9.5204 128.3412 54.0343 31.4592 174.1140 5 P 4.9312 0.0000 0.0000 61.7765 31.8737 177.4941 6 V 3.5722 8.4786 122.1241 65.4082 31.0350 178.9067 7 Q 4.0399 8.0432 117.4694 58.6598 28.4685 177.9316 8 D 4.4674 7.9873 120.3448 56.9594 41.2356 178.2621 9 A 3.3885 8.2613 121.4927 54.6104 17.9182 179.7361 10 K 3.8181 7.9027 117.1352 59.7839 32.4928 178.8091 11 A 4.2232 8.0090 119.4870 53.9671 18.7589 177.8820 12 R 4.7418 8.2262 117.0051 55.4824 31.3708 178.0456 13 F 4.6019 8.3767 122.7884 61.1787 39.5160 175.7841 14 S 4.0782 8.1817 114.2275 61.4012 62.5805 176.1808 15 E 3.9182 8.0918 121.7125 59.0763 29.5384 178.3574 16 F 3.3198 7.9952 120.9825 60.8900 39.3669 176.8707 17 L 3.3985 7.5619 120.1495 58.1613 41.7711 178.7346 18 D 4.3021 8.1895 118.7419 57.0688 40.6087 178.6258 19 A 3.9934 8.3479 122.0036 55.1044 18.2570 178.9881 20 C 4.6444 7.7107 118.5214 62.3134 31.3191 176.0062 21 I 3.8032 7.2510 119.4754 63.7115 36.8938 177.6637 22 T 4.3018 8.1030 109.3336 62.3945 69.2968 175.2553 23 E 4.3505 9.5901 120.1081 57.2807 31.9165 175.9974 24 G 4.3258 7.4873 104.1312 41.9716 0.0000 170.0379 25 P 4.7319 0.0000 0.0000 63.4566 31.9636 176.1294 26 Q 4.8067 8.6958 122.3268 54.2064 31.6722 174.9260 27 I 4.8768 9.0216 125.4401 60.5112 39.2165 175.1061 28 V 5.1746 9.0403 125.6986 60.0154 34.0533 174.7673 29 S 5.3340 9.0658 117.8047 56.7269 66.5909 172.9249 30 R 4.5844 8.3069 118.8976 55.1490 33.9488 175.8933 31 R 3.8732 9.6825 119.8519 57.1087 27.8018 176.4243 32 G 3.8765 8.4375 102.3390 46.4518 0.0000 173.9558 33 A 4.7212 7.8761 121.4822 49.3808 21.8407 176.6424 34 E 4.4245 8.8538 122.0237 56.8399 30.2327 176.3340 35 E 4.6727 8.9390 121.6941 57.7163 32.3700 175.6739 36 A 4.7261 7.6130 118.4551 51.1401 23.0143 175.3644 37 V 4.8607 8.0533 117.7751 60.0974 34.7060 174.5921 38 L 4.3471 9.0801 126.9380 53.8079 43.2640 175.1537 39 V 4.7371 7.9681 125.7477 60.0772 34.3637 173.4599 40 P 4.3160 0.0000 0.0000 62.6103 32.0893 177.2799 41 I 3.8841 8.5662 122.1111 64.2251 37.8780 178.5577 42 G 3.6104 8.0840 106.2015 47.6398 0.0000 175.0328 43 E 3.9459 8.2161 121.2718 58.7743 29.6219 178.5523 44 W 4.2490 8.2756 128.2723 60.6968 30.7889 178.0243 45 R 3.7206 8.4068 118.2876 59.4493 29.4922 179.3648 46 R 3.8794 8.2147 117.9058 59.1357 29.9145 179.1242 47 L 3.9488 8.0346 118.9831 57.7017 41.3141 179.5709 48 Q 3.6328 7.5910 117.3547 58.6901 28.6222 178.2585 49 A 4.0181 7.8286 120.7854 54.9650 18.4494 179.1965 50 A 4.0471 7.7742 118.1621 54.4366 18.6108 177.9146 51 A 4.2008 7.3652 123.3095 52.4955 18.7517 177.0599 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 0 H 8.44 4.61 0.00 3.11 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 H 8.07 4.47 0.00 3.13 3.54 0.00 5.87 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 7.87 4.94 2.01 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 0.92 0.00 0.00 0.98 0.00 0.00 4 W 9.52 4.73 0.00 3.18 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.93 0.00 2.20 1.99 0.00 4.06 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 2.18 2.04 0.00 6 V 8.48 3.57 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 0.86 0.00 0.00 0.90 0.00 0.00 7 Q 8.04 4.04 0.00 2.27 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 8 D 7.99 4.47 0.00 3.02 2.96 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 9 A 8.26 3.39 0.37 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 10 K 7.90 3.82 0.00 1.73 1.98 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.39 7.81 11 A 8.01 4.22 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 12 R 8.23 4.74 0.00 2.33 2.26 0.00 3.25 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 13 F 8.38 4.60 0.00 3.31 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 14 S 8.18 4.08 0.00 3.94 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 3.92 0.00 2.14 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 0.00 2.72 2.51 0.00 16 F 8.00 3.32 0.00 1.67 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.56 3.40 0.00 1.01 1.47 0.72 1.12 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 18 D 8.19 4.30 0.00 2.76 2.67 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 19 A 8.35 3.99 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 0.00 0.00 0.00 0.00 0.00 20 C 7.71 4.64 0.00 2.56 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 21 I 7.25 3.80 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 1.52 0.62 0.88 0.00 0.00 22 T 8.10 4.30 4.23 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 1.24 0.00 0.00 23 E 9.59 4.35 0.00 2.11 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 0.00 2.17 2.20 0.00 24 G 7.49 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 0.00 0.00 0.00 0.00 25 P 0.00 4.73 0.00 1.96 2.04 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 2.07 2.17 0.00 26 Q 8.70 4.81 0.00 1.35 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 27 I 9.02 4.88 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.63 0.99 0.00 0.00 28 V 9.04 5.17 2.10 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 0.85 0.00 0.00 0.97 0.00 0.00 29 S 9.07 5.33 0.00 4.05 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 30 R 8.31 4.58 0.00 1.76 1.80 0.00 3.28 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 31 R 9.68 3.87 0.00 1.93 1.99 0.00 3.32 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 32 G 8.44 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 0.00 0.00 0.00 33 A 7.88 4.72 1.28 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 0.00 0.00 34 E 8.85 4.42 0.00 1.99 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 2.35 2.35 0.00 35 E 8.94 4.67 0.00 1.97 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 2.44 2.43 0.00 36 A 7.61 4.73 1.22 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 0.00 0.00 37 V 8.05 4.86 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 0.73 0.00 0.00 0.98 0.00 0.00 38 L 9.08 4.35 0.00 1.35 0.90 0.84 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.97 4.74 2.02 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 1.03 0.00 0.00 0.91 0.00 0.00 40 P 0.00 4.32 0.00 2.23 1.94 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 41 I 8.57 3.88 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.94 0.00 0.00 42 G 8.08 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 43 E 8.22 3.95 0.00 2.08 2.21 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 2.46 2.41 0.00 44 W 8.28 4.25 0.00 3.44 3.29 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 45 R 8.41 3.72 0.00 1.98 1.94 0.00 3.37 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.87 0.00 46 R 8.21 3.88 0.00 1.82 1.94 0.00 3.11 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 47 L 8.03 3.95 0.00 1.64 1.57 1.01 0.67 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 48 Q 7.59 3.63 0.00 1.77 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 1.16 1.44 0.00 49 A 7.83 4.02 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 50 A 7.77 4.05 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 51 A 7.37 4.20 1.18 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 * Residues marked with a * may have inaccurate shift predictions.