NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.3305 8.3545 119.0730 55.9029 30.7482 175.7840 7 I 3.6957 8.6704 122.4105 61.7350 35.7202 172.3208 8 K 4.3284 7.9186 123.2678 55.8279 33.3160 177.0728 9 L 4.5444 8.4543 120.5580 54.4316 45.9971 174.3361 10 L 4.8140 8.5706 126.5038 54.5382 42.6063 176.0831 11 L 4.8409 8.6626 122.1498 54.4966 44.2353 174.1314 12 E 5.2340 8.8241 117.2155 54.8328 33.8328 174.0283 13 C 5.8928 8.4221 115.8083 57.4404 32.0253 173.9317 14 T 4.9811 8.5927 117.7270 59.4841 69.1738 173.7698 15 E 3.9683 7.7585 122.3478 58.1250 29.9032 177.6033 16 C 3.9935 8.1160 111.0597 58.4157 28.4505 172.0331 17 K 4.0610 7.3493 125.8246 55.1998 30.9508 176.8706 18 R 4.3967 7.1351 116.3795 56.2915 32.9406 174.8464 19 R 4.2957 8.2497 114.9927 53.0927 29.2255 177.2187 20 N 3.8792 9.0459 113.5587 54.4871 38.5025 171.9528 21 Y 5.7703 8.2889 117.3919 57.7752 42.0971 174.2936 22 A 4.3503 8.3315 122.3032 51.6387 21.3480 173.7682 23 T 3.5192 8.4698 113.0465 62.5449 69.2246 171.2726 24 E 4.8789 8.9722 131.4239 56.4404 34.1581 173.7020 25 K 5.6719 8.6585 123.8278 57.2789 35.7886 173.3927 26 N 5.1375 9.0459 125.3595 50.3258 42.5371 172.4033 27 K 4.2592 8.1878 118.8225 59.8006 34.4613 182.8018 28 R 3.0924 9.3958 118.1805 58.3968 30.1778 182.3218 29 N 4.1118 8.5868 117.6501 56.6896 40.7495 179.9574 30 T 4.6172 7.4599 113.3603 59.4284 67.7286 179.2624 31 P 4.5675 0.0000 0.0000 64.5632 29.2750 176.7742 32 N 4.6806 8.1006 123.7999 52.0138 39.7785 170.7377 33 K 3.9021 7.8525 125.6258 56.8980 31.9662 171.7812 34 L 3.6834 7.0774 124.2394 48.0320 43.2769 174.3958 35 E 5.0327 8.4732 119.5211 55.6393 33.3863 176.3603 36 L 5.2376 7.9453 124.1147 54.7857 45.2308 176.3663 37 R 4.3255 8.6397 119.7890 56.0004 33.7168 174.5052 38 K 4.6030 8.9334 130.7028 55.7104 32.2689 172.7522 *39 Y 4.5903 7.8766 121.3679 56.0131 41.0969 171.5974 40 C 4.9441 8.5999 120.2888 58.7332 33.0096 172.6131 41 P 4.8690 0.0000 0.0000 62.3806 30.6415 173.9918 42 W 5.5467 9.1029 113.8419 57.9467 36.7115 174.3718 43 C 4.4512 8.1871 122.0291 57.2137 30.3391 173.7310 44 R 4.3732 9.2438 123.2992 53.8724 26.3037 180.4309 45 K 4.3955 8.7045 114.0061 58.1497 33.6679 171.3271 46 H 4.6976 9.1151 118.6892 54.7626 29.7691 174.5679 47 T 4.4733 8.0397 117.0056 61.3329 70.5533 175.4286 48 V 3.6973 8.4677 114.9869 64.4529 32.3854 168.6971 49 H 5.4289 8.4228 126.8533 56.6040 28.4259 175.1916 50 R 5.1757 8.1215 123.6649 54.4372 34.1927 175.4315 51 E 4.4000 8.8920 116.2099 55.9466 28.3161 181.6642 52 V 3.7994 9.1268 110.3613 63.0719 31.9984 169.8013 53 K 4.1952 8.2508 119.8672 56.7039 31.9635 177.3160 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 6 R 8.35 4.33 0.00 1.85 1.83 0.00 3.24 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 7 I 8.67 3.70 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 1.01 0.91 0.00 0.00 8 K 7.92 4.33 0.00 1.53 1.67 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.37 1.05 7.81 9 L 8.45 4.54 0.00 1.70 1.63 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.57 4.81 0.00 1.55 1.58 0.92 0.92 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 11 L 8.66 4.84 0.00 1.85 1.72 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.82 5.23 0.00 2.25 2.13 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 2.54 2.27 0.00 13 C 8.42 5.89 0.00 2.92 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 14 T 8.59 4.98 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 1.18 0.00 0.00 15 E 7.76 3.97 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 2.17 2.15 0.00 16 C 8.12 3.99 0.00 3.14 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 17 K 7.35 4.06 0.00 1.88 2.02 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.16 0.78 7.81 18 R 7.14 4.40 0.00 1.84 1.73 0.00 3.16 0.00 0.00 3.25 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.65 0.00 19 R 8.25 4.30 0.00 2.11 1.57 0.00 3.27 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 20 N 9.05 3.88 0.00 2.85 2.55 0.00 0.00 6.70 7.56 0.00 0.00 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 Y 8.29 5.77 0.00 2.92 2.82 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 22 A 8.33 4.35 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 23 T 8.47 3.52 4.26 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 1.26 0.00 0.00 24 E 8.97 4.88 0.00 1.58 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 25 K 8.66 5.67 0.00 1.49 1.55 0.00 1.61 0.00 0.00 2.40 0.00 0.00 2.83 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 0.85 7.81 26 N 9.05 5.14 0.00 2.36 2.67 0.00 0.00 6.87 6.89 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 27 K 8.19 4.26 0.00 1.65 1.77 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 0.96 7.81 28 R 9.40 3.09 0.00 1.81 2.04 0.00 3.24 0.00 0.00 3.37 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.20 0.00 29 N 8.59 4.11 0.00 2.76 2.69 0.00 0.00 6.47 7.71 0.00 0.00 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 T 7.46 4.62 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 31 P 0.00 4.57 0.00 2.03 2.06 0.00 3.64 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 2.02 2.07 0.00 32 N 8.10 4.68 0.00 2.74 2.64 0.00 0.00 6.93 7.44 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 33 K 7.85 3.90 0.00 1.93 1.71 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 0.99 7.81 34 L 7.08 3.68 0.00 1.69 1.51 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.47 5.03 0.00 1.70 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.84 0.00 36 L 7.95 5.24 0.00 1.37 1.39 0.92 0.85 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 37 R 8.64 4.33 0.00 1.56 1.69 0.00 3.27 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.32 0.00 38 K 8.93 4.60 0.00 1.53 1.66 0.00 1.71 0.00 0.00 2.40 0.00 0.00 2.73 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.37 0.89 7.81 *39 Y 7.88 4.59 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.60 4.94 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.87 0.00 2.24 1.28 0.00 3.87 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 42 W 9.10 5.55 0.00 3.24 3.02 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 0.00 0.00 0.00 0.00 43 C 8.19 4.45 0.00 3.01 3.10 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 0.00 0.00 0.00 0.00 44 R 9.24 4.37 0.00 1.92 1.63 0.00 3.36 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.14 0.00 45 K 8.70 4.40 0.00 1.75 1.79 0.00 1.98 0.00 0.00 1.92 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.40 7.81 46 H 9.12 4.70 0.00 3.61 3.27 0.00 5.08 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.04 4.47 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 1.20 0.00 0.00 48 V 8.47 3.70 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 0.93 0.00 0.00 49 H 8.42 5.43 0.00 3.56 3.42 0.00 6.01 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.12 5.18 0.00 1.70 1.76 0.00 3.25 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.15 0.00 51 E 8.89 4.40 0.00 1.98 1.45 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 2.23 1.83 0.00 52 V 9.13 3.80 2.29 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 0.96 0.00 0.00 0.96 0.00 0.00 53 K 8.25 4.20 0.00 1.80 1.71 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.