NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 D 4.5544 8.2233 120.1877 53.7645 41.2008 175.8340 31 L 3.9555 8.4568 126.7832 55.9301 41.7369 176.8540 32 R 4.2886 7.9750 117.0048 56.5886 32.1331 175.5026 33 D 4.0892 7.6820 117.8606 54.5922 39.5548 175.7041 34 Y 4.3038 7.2552 123.7577 57.1661 37.6946 176.8494 35 R 4.6224 7.9130 116.5576 55.9667 32.9256 176.3057 36 N 4.6451 7.6310 119.0374 51.7269 35.3283 174.8538 37 V 3.5951 7.6661 124.8233 66.8986 31.8146 176.0259 38 E 3.9986 8.3740 115.2790 60.3954 29.6689 179.6313 39 V 3.8210 7.5920 117.5912 65.1535 32.0866 178.0769 40 L 4.0764 8.5012 120.8960 57.2966 41.3774 179.3493 41 K 3.9383 8.9205 120.4389 60.0349 31.8869 178.3991 42 R 3.8549 7.6112 116.5122 59.3865 30.3225 177.6266 43 F 4.5129 8.5552 114.6050 57.8364 38.9514 174.6503 44 L 4.7236 8.0017 122.1197 53.0792 42.8828 176.1151 *50 I 3.9815 8.1232 122.9388 60.7880 38.1322 175.5522 51 L 4.2615 8.5361 128.5086 54.0914 41.9382 175.8863 52 P 4.3844 0.0000 0.0000 62.4574 32.3762 176.2797 53 R 3.9308 8.6625 121.4382 57.0034 29.0898 175.5148 *56 T 3.9704 8.1734 116.2991 61.3987 67.3897 174.5972 57 G 3.8183 8.7553 115.6615 46.6180 0.0000 172.4276 58 L 4.3255 8.2341 120.3981 54.6469 42.2018 177.7152 59 S 4.7136 9.2663 117.8666 57.1073 65.7149 175.6313 60 G 3.6194 8.4759 108.1574 47.9557 0.0000 175.2798 61 K 4.1522 7.9515 121.3593 58.7394 32.3490 178.6493 62 E 3.9028 8.3841 119.1898 59.7657 29.5469 177.4034 63 Q 4.0487 7.9334 117.2846 57.0231 29.1206 174.7700 64 R 4.0269 8.5762 118.8456 58.1130 29.7308 178.2973 65 I 3.6590 7.2438 116.0802 65.1440 37.4691 177.3880 66 L 3.4935 8.2345 119.0876 57.9632 41.4324 179.3826 67 A 3.7863 7.4081 118.8423 54.8997 19.1666 179.5063 68 K 3.8688 8.1071 117.6699 59.9364 32.0150 178.7262 69 T 3.9831 8.5212 116.4336 66.7473 68.3825 176.1607 70 I 3.6489 7.7335 120.7538 64.8468 37.0106 178.0902 71 K 4.0143 8.0443 117.3280 58.1663 32.0505 179.0470 72 R 4.0950 8.4911 119.1994 58.3489 30.4062 178.2595 73 A 4.0756 7.8983 120.0160 55.3981 18.4078 179.3275 74 R 4.3654 7.5653 117.6928 59.0208 29.8707 179.1958 75 I 3.9668 7.0481 116.2159 64.4170 36.9892 178.0904 76 L 4.1915 7.8542 118.6225 55.5039 41.1831 178.8536 77 G 4.0468 8.4827 107.4785 45.4863 0.0000 174.9003 78 L 4.0795 7.5456 119.5453 57.3856 42.0060 177.4949 79 L 4.6910 7.5125 117.2999 52.3176 43.9997 173.4679 80 P 5.1218 0.0000 0.0000 61.6398 33.0266 176.0855 81 F 4.1463 9.2507 120.2449 60.3957 39.3247 175.5526 82 T 4.2315 7.7706 117.5950 62.3053 67.4064 172.9912 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 30 D 8.22 4.55 0.00 2.73 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 8.46 3.96 0.00 1.70 1.62 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.98 4.29 0.00 1.93 1.95 0.00 3.12 0.00 0.00 3.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 33 D 7.68 4.09 0.00 2.54 2.62 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 0.00 0.00 0.00 0.00 34 Y 7.26 4.30 0.00 3.07 3.07 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 0.00 0.00 0.00 0.00 35 R 7.91 4.62 0.00 1.85 1.96 0.00 3.22 0.00 0.00 3.35 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 36 N 7.63 4.65 0.00 3.08 2.65 0.00 0.00 6.72 7.59 0.00 0.00 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 7.67 3.60 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 1.03 0.00 0.00 1.02 0.00 0.00 38 E 8.37 4.00 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 39 V 7.59 3.82 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 0.96 0.00 0.00 1.12 0.00 0.00 40 L 8.50 4.08 0.00 1.73 1.80 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.92 3.94 0.00 2.03 1.97 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.55 7.81 42 R 7.61 3.85 0.00 2.10 1.57 0.00 3.23 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 43 F 8.56 4.51 0.00 3.08 3.09 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 44 L 8.00 4.72 0.00 1.79 1.61 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 *50 I 8.12 3.98 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.46 0.92 0.00 0.00 51 L 8.54 4.26 0.00 1.64 1.66 0.92 1.12 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 52 P 0.00 4.38 0.00 2.09 2.07 0.00 3.80 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 2.00 2.01 0.00 53 R 8.66 3.93 0.00 1.84 2.18 0.00 3.47 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.65 0.00 *56 T 8.17 3.97 4.52 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 1.41 0.00 0.00 57 G 8.76 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.23 4.33 0.00 1.81 1.72 0.80 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 59 S 9.27 4.71 0.00 4.00 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 60 G 8.48 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.95 4.15 0.00 1.83 1.80 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.51 7.81 62 E 8.38 3.90 0.00 2.12 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 2.33 2.32 0.00 63 Q 7.93 4.05 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.13 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 64 R 8.58 4.03 0.00 1.99 1.91 0.00 3.40 0.00 0.00 3.32 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 65 I 7.24 3.66 2.15 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 1.39 0.63 0.86 0.00 0.00 66 L 8.23 3.49 0.00 1.54 1.40 0.07 0.85 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 67 A 7.41 3.79 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 68 K 8.11 3.87 0.00 1.86 1.83 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.46 7.81 69 T 8.52 3.98 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 1.23 0.00 0.00 70 I 7.73 3.65 1.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.41 0.83 0.00 0.00 71 K 8.04 4.01 0.00 1.80 1.80 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.68 7.81 72 R 8.49 4.09 0.00 2.00 1.69 0.00 3.17 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.74 0.00 73 A 7.90 4.08 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 4.37 0.00 1.39 0.72 0.00 2.57 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.54 0.00 75 I 7.05 3.97 1.98 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 1.65 0.66 0.95 0.00 0.00 76 L 7.85 4.19 0.00 1.92 1.72 0.88 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.48 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 78 L 7.55 4.08 0.00 1.74 1.77 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.51 4.69 0.00 1.60 1.51 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 5.12 0.00 2.23 2.08 0.00 3.75 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 1.94 1.99 0.00 81 F 9.25 4.15 0.00 2.98 3.19 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 82 T 7.77 4.23 4.32 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 1.25 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.