NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4674 8.2893 120.3260 54.2747 33.0038 175.0903 2 P 4.2071 0.0000 0.0000 62.0599 32.1928 174.9079 3 R 4.3302 9.3054 121.4700 56.3981 32.5699 176.4931 4 L 5.1298 9.0440 121.7194 52.9810 45.1049 175.3336 5 K 5.0169 8.5798 123.3613 54.9037 34.4173 175.2908 6 V 4.9444 8.5567 120.4903 59.5160 35.3718 174.7206 7 K 5.6294 8.3441 122.9376 53.6459 36.0706 174.8412 8 L 4.5982 8.5188 129.1126 55.1127 42.7699 177.0396 9 V 4.6554 8.7357 117.3296 60.2478 34.2145 175.5700 10 K 4.4644 7.9213 121.0248 53.7904 34.2716 175.3058 11 S 4.1862 8.8980 121.3511 58.0090 62.7423 172.3830 12 P 4.6414 0.0000 0.0000 64.7916 31.4858 176.1615 13 I 3.7792 7.0160 119.5641 63.6959 37.1504 175.9567 14 G 3.8148 9.2305 113.2218 45.2425 0.0000 172.1093 15 Y 4.7422 7.4277 116.1086 54.7831 41.0114 174.2005 16 P 4.3153 0.0000 0.0000 62.7157 33.5706 177.5384 17 K 3.9695 8.7998 120.2049 59.6842 31.9913 179.3466 18 D 4.3164 8.0330 118.7408 56.8314 39.4072 178.5195 19 Q 4.1135 8.1474 119.5065 58.4163 28.2039 178.9907 20 K 4.0748 8.1404 118.9903 59.0821 31.9501 179.3455 21 A 3.9942 7.9584 121.1522 54.8433 18.3274 179.2424 22 A 3.9106 8.5367 119.6273 55.6509 18.5252 179.7693 23 L 4.1199 7.7211 116.6955 57.9063 41.7489 179.9564 24 K 3.9811 7.7288 118.7884 59.1180 31.9040 178.7876 25 A 3.9725 7.9471 120.4309 55.2665 18.5471 179.4846 26 L 4.1352 8.1836 115.6053 55.7995 41.5905 178.3732 27 G 3.7556 7.6112 106.3355 45.8208 0.0000 173.6333 28 L 4.5281 8.2674 120.5298 53.4591 40.3844 176.6615 29 R 4.0805 8.5152 125.8180 56.5710 30.6598 180.2511 30 R 4.4278 7.4287 119.1346 54.9599 32.0891 176.0306 31 L 4.3308 8.1375 117.1181 54.8314 42.6397 176.5629 32 Q 4.1175 8.7742 116.2637 57.0200 27.0471 173.2429 33 Q 4.6170 7.4869 118.6922 54.6019 30.8693 174.1631 34 E 5.8123 8.6292 125.1941 54.6095 32.2239 175.6742 35 R 4.6259 8.2096 120.2196 54.9460 34.8389 174.1498 36 V 5.3830 8.3719 117.1329 59.3733 33.0798 175.3139 37 L 4.9267 8.2428 124.1407 52.4462 46.6334 175.9573 38 E 4.2365 8.7387 120.0950 56.6267 30.6760 177.0386 39 D 4.6423 8.5955 120.4009 54.5962 41.5557 176.6194 40 T 3.8903 7.3194 110.8707 62.1750 69.1881 172.6636 41 P 4.4070 0.0000 0.0000 64.5867 31.5243 178.7559 42 A 4.0542 7.9456 120.6369 54.8690 18.4785 179.7484 43 I 3.7444 7.5951 118.0607 64.5742 37.4306 178.7957 44 R 4.1112 8.0578 116.7461 58.8419 29.0445 178.7725 45 G 3.7262 7.8220 106.4497 47.7910 0.0000 175.3546 46 N 4.2982 7.7610 117.3554 56.0585 38.6675 177.6305 47 V 3.6161 7.3564 117.6542 66.0298 31.6298 177.6902 48 E 4.0351 8.2753 118.5101 59.2101 29.1911 178.6613 49 K 3.9473 7.3192 118.5358 58.9692 32.3280 177.6199 50 V 4.0113 7.4714 110.2305 60.8120 32.2224 177.2522 51 A 3.9515 8.2710 125.8389 55.8362 18.0096 180.5542 52 H 4.2311 8.0931 108.3489 57.5498 28.6525 175.3818 53 L 4.6099 8.0176 119.3331 54.3183 44.0007 176.1719 54 V 4.7695 7.7898 118.4040 61.0021 34.4786 175.3101 55 R 4.4520 8.5428 123.7515 54.6583 32.2826 175.2129 56 V 4.8871 8.1684 119.6111 60.3112 33.7008 174.2504 57 E 4.7034 7.9243 120.9408 56.1837 32.8717 173.7760 58 V 4.7533 8.3462 120.5307 61.7016 34.1467 174.0906 59 V 4.3945 9.4063 127.2810 64.8053 36.6071 175.1073 *60 E 4.1603 8.0631 119.2834 56.0696 30.3181 177.4543 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 1 M 8.29 4.47 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 P 0.00 4.21 0.00 2.25 2.05 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 1.98 2.04 0.00 3 R 9.31 4.33 0.00 1.85 1.96 0.00 3.08 0.00 0.00 3.66 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.66 0.00 4 L 9.04 5.13 0.00 1.56 1.65 0.99 0.87 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 5 K 8.58 5.02 0.00 1.83 1.63 0.00 1.57 0.00 0.00 1.86 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.37 7.81 6 V 8.56 4.94 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 0.61 0.00 0.00 0.98 0.00 0.00 7 K 8.34 5.63 0.00 1.74 1.56 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.20 7.81 8 L 8.52 4.60 0.00 1.76 1.51 0.99 0.93 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 9 V 8.74 4.66 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 0.70 0.00 0.00 0.99 0.00 0.00 10 K 7.92 4.46 0.00 1.67 1.67 0.00 2.07 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.39 7.81 11 S 8.90 4.19 0.00 3.90 3.83 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 0.00 0.00 0.00 12 P 0.00 4.64 0.00 2.34 2.33 0.00 3.83 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 13 I 7.02 3.78 1.88 0.00 0.00 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 1.25 0.56 0.90 0.00 0.00 14 G 9.23 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.43 4.74 0.00 3.18 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 16 P 0.00 4.32 0.00 2.22 2.14 0.00 4.01 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 2.22 2.28 0.00 17 K 8.80 3.97 0.00 1.78 1.89 0.00 1.70 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.47 7.81 18 D 8.03 4.32 0.00 2.88 2.94 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 0.00 0.00 0.00 19 Q 8.15 4.11 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 20 K 8.14 4.07 0.00 2.01 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.77 7.81 21 A 7.96 3.99 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 22 A 8.54 3.91 1.33 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 23 L 7.72 4.12 0.00 1.81 1.74 0.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.73 3.98 0.00 1.84 1.96 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 A 7.95 3.97 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 26 L 8.18 4.14 0.00 1.56 1.73 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.61 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 0.00 0.00 0.00 28 L 8.27 4.53 0.00 1.69 1.64 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.52 4.08 0.00 1.77 1.83 0.00 3.31 0.00 0.00 3.28 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 30 R 7.43 4.43 0.00 1.91 1.97 0.00 3.19 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 31 L 8.14 4.33 0.00 1.74 1.63 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.77 4.12 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.61 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 33 Q 7.49 4.62 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.87 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 34 E 8.63 5.81 0.00 1.87 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 2.22 2.15 0.00 35 R 8.21 4.63 0.00 1.69 1.75 0.00 3.24 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 36 V 8.37 5.38 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 0.84 0.00 0.00 0.93 0.00 0.00 37 L 8.24 4.93 0.00 1.53 1.48 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.74 4.24 0.00 1.88 1.87 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 0.00 2.40 2.26 0.00 39 D 8.60 4.64 0.00 2.84 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.32 3.89 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 41 P 0.00 4.41 0.00 2.19 2.07 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 42 A 7.95 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 43 I 7.60 3.74 2.08 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 1.69 0.93 0.95 0.00 0.00 44 R 8.06 4.11 0.00 2.06 2.18 0.00 2.78 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 45 G 7.82 3.73 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 0.00 0.00 0.00 46 N 7.76 4.30 0.00 3.02 2.84 0.00 0.00 6.56 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 47 V 7.36 3.62 2.20 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 0.80 0.00 0.00 0.93 0.00 0.00 48 E 8.28 4.04 0.00 2.08 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 2.56 2.45 0.00 49 K 7.32 3.95 0.00 1.82 2.01 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.46 1.51 7.81 50 V 7.47 4.01 1.91 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 0.61 0.00 0.00 0.93 0.00 0.00 51 A 8.27 3.95 1.35 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 52 H 8.09 4.23 0.00 3.19 3.43 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.02 4.61 0.00 1.47 1.57 0.64 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.79 4.77 2.03 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 0.73 0.00 0.00 0.90 0.00 0.00 55 R 8.54 4.45 0.00 1.88 1.74 0.00 3.13 0.00 0.00 3.16 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 56 V 8.17 4.89 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 1.02 0.00 0.00 0.92 0.00 0.00 57 E 7.92 4.70 0.00 1.98 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 58 V 8.35 4.75 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 0.84 0.00 0.00 0.93 0.00 0.00 59 V 9.41 4.39 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 0.73 0.00 0.00 0.93 0.00 0.00 *60 E 8.06 4.16 0.00 1.77 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.