NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9560 8.3393 109.7465 44.9608 0.0000 174.2794 5 I 4.1432 7.0437 113.4308 58.2039 37.2791 172.4601 6 H 4.9099 8.4839 125.7327 55.2045 33.6484 172.1799 7 P 4.5375 0.0000 0.0000 62.4702 31.5189 175.3257 8 K 3.9227 7.0724 123.6682 52.0300 31.6149 175.7032 9 L 4.1833 8.0172 118.7481 53.7980 42.8195 173.3208 10 V 4.4644 7.3521 120.8600 60.6730 34.7755 169.0972 11 P 4.4540 0.0000 0.0000 62.7199 31.9060 175.1935 12 A 4.6726 9.4338 124.0080 50.4809 23.2784 175.1149 13 R 4.6478 7.8091 116.0548 53.4979 29.2950 174.6215 14 I 3.6386 8.3001 127.8592 62.6802 38.4221 175.0103 15 I 4.4377 8.3314 127.8568 59.1452 37.6887 175.0592 16 C 4.3289 8.3450 126.5644 59.4625 31.9847 173.7664 17 G 3.9818 8.4765 109.2225 45.6558 0.0000 173.7656 18 C 4.5094 7.8284 113.9643 58.1056 31.3988 174.4189 19 G 3.6608 8.2256 115.2418 44.3445 0.0000 173.2184 20 N 3.7178 6.5851 115.5772 49.2366 39.1003 172.9676 21 V 4.8700 7.8127 125.3868 59.9700 31.6450 174.1701 22 I 3.8965 7.9371 126.1540 60.8292 38.7200 174.3825 23 E 4.8408 9.0479 126.6599 53.2268 30.3667 174.9799 24 T 4.8714 8.0797 122.1025 61.0834 72.6063 172.3093 25 Y 5.1284 9.5862 117.9968 55.7579 41.5642 175.5126 26 S 4.8742 8.1522 115.9903 58.6351 66.8559 175.9019 27 T 4.2225 7.7481 113.5934 62.5021 68.0132 170.8242 28 K 3.7344 8.7439 134.1589 55.2896 32.2860 173.6403 29 P 4.1891 0.0000 0.0000 65.2130 31.5272 176.0520 30 E 4.2125 7.8796 118.3355 55.5645 28.8194 176.0310 31 I 3.7717 7.7128 126.4132 58.4974 38.8592 176.0231 32 Y 4.7169 6.1862 130.8048 55.5571 35.4828 175.7023 33 V 3.6976 7.3492 119.9588 64.6404 32.5162 176.5477 34 E 4.3421 8.8048 124.1201 58.0085 30.3067 176.7038 35 V 4.4711 7.0078 114.4529 62.3602 34.8715 172.9100 36 C 4.5343 7.9170 117.3971 58.2123 32.4930 172.6875 37 S 4.1595 8.3793 115.5726 59.6006 62.9191 174.3388 38 K 3.9181 8.7577 118.4839 57.5432 30.4522 174.9944 39 C 4.9746 7.3414 112.0898 58.6729 28.9200 173.6086 40 H 4.8484 7.9263 115.2347 54.9502 32.4470 170.9028 41 P 4.3439 0.0000 0.0000 61.5582 31.6648 177.1570 42 F 4.8440 8.7045 124.0339 55.3139 37.5381 176.6392 43 Y 4.5410 7.4238 125.3625 57.8144 38.2701 176.0928 44 T 3.8542 7.4262 112.8974 60.8709 70.0486 172.0670 45 G 3.9925 7.7808 113.0552 45.6383 0.0000 172.5084 46 Q 4.5105 8.2120 118.7446 54.9077 32.2084 173.7810 47 Q 4.5431 8.2463 121.8943 55.1474 31.2456 176.5304 *48 R 4.1254 8.4213 115.7155 57.0559 30.1402 170.9883 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 4 G 8.34 3.96 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 0.00 0.00 0.00 5 I 7.04 4.14 1.82 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 0.38 0.86 0.00 0.00 6 H 8.48 4.91 0.00 3.20 3.22 0.00 5.68 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 7 P 0.00 4.54 0.00 2.04 2.09 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 8 K 7.07 3.92 0.00 1.89 1.95 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.41 7.81 9 L 8.02 4.18 0.00 1.71 1.98 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.35 4.46 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 0.74 0.00 0.00 0.91 0.00 0.00 11 P 0.00 4.45 0.00 1.73 1.52 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 12 A 9.43 4.67 1.12 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 0.00 0.00 13 R 7.81 4.65 0.00 1.81 1.85 0.00 3.04 0.00 0.00 3.18 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 14 I 8.30 3.64 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.17 0.93 0.00 0.00 15 I 8.33 4.44 1.87 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 1.22 1.23 0.92 0.00 0.00 16 C 8.35 4.33 0.00 2.96 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.48 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 C 7.83 4.51 0.00 3.04 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 19 G 8.23 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 6.59 3.72 0.00 2.81 2.80 0.00 0.00 6.32 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 21 V 7.81 4.87 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 1.24 0.00 0.00 0.98 0.00 0.00 22 I 7.94 3.90 1.86 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 1.23 1.05 0.92 0.00 0.00 23 E 9.05 4.84 0.00 1.88 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 24 T 8.08 4.87 4.45 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 0.00 0.00 1.26 0.00 0.00 25 Y 9.59 5.13 0.00 2.73 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 26 S 8.15 4.87 0.00 3.98 4.09 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 27 T 7.75 4.22 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 28 K 8.74 3.73 0.00 1.88 1.76 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.22 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.42 7.81 29 P 0.00 4.19 0.00 2.17 2.02 0.00 3.60 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 30 E 7.88 4.21 0.00 1.79 1.85 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 2.30 2.35 0.00 31 I 7.71 3.77 1.73 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.49 0.81 0.00 0.00 32 Y 6.19 4.72 0.00 2.93 3.03 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 0.00 33 V 7.35 3.70 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 0.77 0.00 0.00 0.91 0.00 0.00 34 E 8.80 4.34 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 35 V 7.01 4.47 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 0.68 0.00 0.00 0.82 0.00 0.00 36 C 7.92 4.53 0.00 3.05 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.38 4.16 0.00 3.91 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 38 K 8.76 3.92 0.00 2.01 1.89 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.51 7.81 39 C 7.34 4.97 0.00 3.12 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 40 H 7.93 4.85 0.00 3.12 3.18 0.00 5.74 0.00 0.00 0.00 0.00 6.93 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 4.34 0.00 2.01 1.76 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 42 F 8.70 4.84 0.00 3.17 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 43 Y 7.42 4.54 0.00 2.84 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.43 3.85 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 0.45 0.00 0.00 45 G 7.78 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 46 Q 8.21 4.51 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 47 Q 8.25 4.54 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.42 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 *48 R 8.42 4.13 0.00 1.60 1.79 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.