NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4512 8.1814 115.4125 57.6995 64.6857 174.2751 2 G 3.4784 8.5924 107.8773 47.6573 0.0000 174.4605 3 I 3.6934 7.8899 121.9667 64.2927 37.7429 177.0190 4 V 3.6524 7.4899 117.6581 65.8035 31.1938 178.1764 5 Q 3.9620 8.1806 118.1505 59.0496 28.5302 178.4450 6 Q 3.9462 8.7112 120.8206 59.2497 28.9958 178.3311 7 Q 3.9752 8.1156 119.2569 58.8848 28.7158 178.2424 8 N 4.3316 8.0576 117.9365 56.5113 39.0860 176.7423 9 N 4.3161 8.3256 118.1855 56.4286 38.7041 177.4182 10 L 4.0069 8.2096 120.6167 57.4447 41.6685 179.1918 11 L 3.9343 8.0490 120.3512 58.4795 42.0108 179.3522 12 R 3.9444 8.0559 117.5969 58.9901 29.8466 178.9451 13 A 3.9643 7.9081 120.3227 55.3759 18.4514 179.6034 14 I 3.6257 7.8154 118.2161 64.6134 36.9441 178.5760 15 E 3.9062 8.2694 119.0287 59.4607 29.2965 179.2755 16 A 4.0682 8.2387 120.9040 55.3424 18.3254 179.7162 17 Q 4.0395 8.4363 116.6576 58.7207 28.6453 178.8671 18 Q 3.9424 7.9311 119.4382 59.2328 28.7987 178.1798 19 H 4.0938 7.7800 117.0561 59.0024 28.8007 177.4908 20 L 3.9689 7.7428 121.4827 58.2019 41.9134 178.7998 21 L 4.0057 8.3204 120.5912 58.2489 41.9940 178.9839 22 Q 4.0946 8.4782 118.4959 58.6780 28.5912 178.5656 23 L 4.1330 7.9907 120.3825 57.8444 41.5398 179.4464 24 T 3.9266 7.8762 115.8222 66.8249 68.4988 176.6420 25 V 3.6664 7.7998 119.9406 65.7079 31.4748 177.5989 26 W 4.2342 8.5376 128.1949 60.5165 30.5937 177.9489 27 G 3.5782 8.5422 105.4028 48.2854 0.0000 175.4477 28 T 3.7718 8.0809 118.7440 66.2126 68.4768 176.5798 29 K 3.7668 8.0684 121.2994 59.2733 32.2181 178.9774 30 Q 3.5768 7.3346 118.3389 58.7950 28.5369 178.3541 31 L 3.8306 7.5360 119.8696 57.9901 41.1029 179.7384 32 Q 3.4932 7.7632 117.2502 58.7133 28.3496 178.3357 33 A 4.0049 7.3939 120.3345 55.4282 18.4069 179.4867 34 R 3.9423 7.4892 114.9374 60.4258 30.3619 177.9582 35 I 3.7067 7.9667 118.4558 63.2485 36.9988 175.5880 36 L 3.9982 7.6716 122.2275 55.8774 42.8403 178.0880 37 S 4.6184 8.5369 124.9995 58.0133 62.1404 174.3406 38 G 3.9948 8.0225 105.6161 44.0934 0.0000 172.1034 39 G 3.8553 7.7871 105.1975 45.0819 0.0000 173.6601 40 R 4.9452 8.6560 114.9032 55.8974 30.5735 178.7729 41 G 3.9414 8.3821 109.8009 48.8861 0.0000 176.1511 42 G 3.3368 7.7072 106.5388 46.7120 0.0000 174.3623 43 W 4.8122 8.3447 120.2548 56.7850 29.4618 177.7220 44 M 4.1532 7.8382 121.5749 59.0933 31.6815 178.2616 45 E 4.1073 8.2580 118.2033 58.7797 29.6686 178.9555 46 W 4.4303 8.3876 128.2663 60.7782 30.8632 177.5495 47 D 4.3158 8.8569 119.1797 57.4408 40.1734 178.8594 48 R 3.8797 8.0806 119.2372 59.2042 30.0937 178.5036 49 E 3.7938 8.4585 119.1453 59.3775 29.4689 179.3974 50 I 3.8138 7.5889 113.1378 64.0120 37.4831 178.0003 51 N 4.3003 8.2975 118.3828 56.1497 38.3587 177.0644 52 N 4.2649 8.3173 118.1209 56.5695 38.5792 177.1089 53 Y 4.2000 7.7620 117.9809 61.2652 37.8262 178.5689 54 T 3.9071 8.2784 117.1353 66.7646 68.5212 176.8388 55 S 4.1004 8.4204 117.4033 61.5367 62.7958 176.5701 56 L 3.9668 7.9580 123.0462 58.2272 41.8577 179.1035 57 I 3.8042 8.4887 122.7649 65.2139 36.8685 178.8261 *58 H 4.2595 8.5942 120.5813 59.6142 27.7075 180.2243 59 S 4.3822 8.3433 116.9474 61.1777 62.9922 176.6789 60 L 4.0183 8.1265 122.9435 57.4719 41.3386 179.4307 61 I 3.7029 7.8874 120.1041 64.3977 37.2027 178.3878 62 E 4.0548 7.9789 118.4081 59.1229 29.4248 178.7280 63 E 3.9694 7.9855 120.8069 59.2307 29.6396 178.8730 64 S 4.2277 8.0122 115.1199 61.3135 62.8903 176.6741 65 Q 3.9931 8.0456 121.1887 58.8143 28.4454 178.2816 66 N 4.3234 8.0895 117.3497 56.4869 38.6301 177.4578 67 Q 3.9913 8.0768 119.4304 58.8354 28.7584 178.4487 68 Q 3.9912 8.3910 123.1483 60.2119 29.1394 179.2800 69 E 4.0483 8.1192 118.7934 60.9058 29.5750 181.3268 70 K 4.1581 7.9924 118.5704 59.7892 32.3358 179.2635 71 N 4.3553 8.7539 116.9256 56.2932 38.1362 177.3086 72 E 4.1806 8.1742 121.9131 59.7282 29.6872 179.5629 73 Q 4.1562 7.8551 120.0117 60.2425 28.3296 180.2352 74 E 4.1699 8.0815 120.1329 57.6628 29.5866 177.3601 75 L 4.1097 7.4326 121.1593 54.8594 42.2225 173.8688 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 S 8.18 4.45 0.00 4.02 4.07 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 2 G 8.59 3.48 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 0.00 0.00 0.00 3 I 7.89 3.69 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 1.52 0.90 0.91 0.00 0.00 4 V 7.49 3.65 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 1.03 0.00 0.00 0.93 0.00 0.00 5 Q 8.18 3.96 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 6 Q 8.71 3.95 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 7 Q 8.12 3.98 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.59 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 8 N 8.06 4.33 0.00 2.79 2.99 0.00 0.00 7.21 6.39 0.00 0.00 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 N 8.33 4.32 0.00 3.10 2.85 0.00 0.00 7.02 7.46 0.00 0.00 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 L 8.21 4.01 0.00 1.67 1.71 0.92 0.71 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 11 L 8.05 3.93 0.00 1.87 1.84 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.06 3.94 0.00 2.04 1.97 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 13 A 7.91 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.82 3.63 2.04 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 1.51 0.71 0.90 0.00 0.00 15 E 8.27 3.91 0.00 2.21 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 0.00 2.33 2.33 0.00 16 A 8.24 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.44 4.04 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 18 Q 7.93 3.94 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 19 H 7.78 4.09 0.00 3.38 3.34 0.00 5.82 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.74 3.97 0.00 1.70 1.84 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.32 4.01 0.00 1.91 1.88 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.48 4.09 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 23 L 7.99 4.13 0.00 1.98 1.77 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.88 3.93 4.54 0.00 0.00 0.00 0.00 0.00 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 25 V 7.80 3.67 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 0.93 0.00 0.00 0.93 0.00 0.00 26 W 8.54 4.23 0.00 3.48 3.48 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 27 G 8.54 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.08 3.77 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 29 K 8.07 3.77 0.00 2.06 1.71 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.34 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.55 7.81 30 Q 7.33 3.58 0.00 1.82 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.51 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 31 L 7.54 3.83 0.00 1.74 1.54 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.76 3.49 0.00 1.73 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 1.16 1.63 0.00 33 A 7.39 4.00 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 34 R 7.49 3.94 0.00 1.77 2.02 0.00 3.31 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 35 I 7.97 3.71 1.90 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 1.47 0.86 0.92 0.00 0.00 36 L 7.67 4.00 0.00 2.05 1.86 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.54 4.62 0.00 3.87 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 38 G 8.02 3.99 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 0.00 0.00 0.00 39 G 7.79 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 0.00 0.00 0.00 40 R 8.66 4.95 0.00 2.04 2.27 0.00 3.32 0.00 0.00 3.37 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 41 G 8.38 3.94 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 0.00 0.00 0.00 42 G 7.71 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.34 4.81 0.00 3.57 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.84 4.15 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.63 0.00 45 E 8.26 4.11 0.00 2.11 2.05 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 2.43 2.33 0.00 46 W 8.39 4.43 0.00 3.55 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 47 D 8.86 4.32 0.00 3.04 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 48 R 8.08 3.88 0.00 1.91 2.10 0.00 3.08 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 49 E 8.46 3.79 0.00 2.14 1.99 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 2.30 2.62 0.00 50 I 7.59 3.81 1.62 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.90 0.16 0.00 0.00 51 N 8.30 4.30 0.00 2.75 2.88 0.00 0.00 6.99 6.67 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 52 N 8.32 4.26 0.00 2.64 2.65 0.00 0.00 7.06 8.33 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 53 Y 7.76 4.20 0.00 3.14 2.87 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 0.00 0.00 0.00 54 T 8.28 3.91 4.40 0.00 0.00 0.00 0.00 0.00 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 55 S 8.42 4.10 0.00 3.97 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 56 L 7.96 3.97 0.00 1.78 1.88 0.94 1.20 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 57 I 8.49 3.80 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.93 0.90 0.00 0.00 *58 H 8.59 4.26 0.00 2.90 3.07 0.00 7.20 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.34 4.38 0.00 4.04 4.22 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 60 L 8.13 4.02 0.00 1.94 1.76 0.94 0.88 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 61 I 7.89 3.70 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.94 0.91 0.00 0.00 62 E 7.98 4.05 0.00 2.14 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 0.00 2.56 2.31 0.00 63 E 7.99 3.97 0.00 2.18 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 0.00 2.30 2.34 0.00 64 S 8.01 4.23 0.00 4.11 3.89 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 0.00 0.00 0.00 0.00 65 Q 8.05 3.99 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 66 N 8.09 4.32 0.00 3.01 2.86 0.00 0.00 7.03 7.33 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 67 Q 8.08 3.99 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 68 Q 8.39 3.99 0.00 2.32 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 69 E 8.12 4.05 0.00 2.05 1.95 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 2.24 2.23 0.00 70 K 7.99 4.16 0.00 1.97 1.88 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.72 7.81 71 N 8.75 4.36 0.00 2.89 2.87 0.00 0.00 7.12 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 72 E 8.17 4.18 0.00 2.10 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 2.53 0.00 73 Q 7.86 4.16 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 74 E 8.08 4.17 0.00 2.07 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 0.00 2.45 2.52 0.00 75 L 7.43 4.11 0.00 1.85 1.94 0.92 0.82 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 * Residues marked with a * may have inaccurate shift predictions.