NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.2384 8.2985 121.4701 55.7255 31.5070 177.1449 13 A 3.9671 7.9957 120.3096 53.6930 18.4152 176.2613 14 R 3.5102 6.9368 114.1969 59.3861 31.1169 173.4643 15 K 4.1773 8.1835 128.1456 59.1766 32.7466 177.5426 16 L 5.5002 8.5249 135.0000 56.2374 41.0543 175.3988 17 S 4.5897 7.9772 114.9448 60.4918 61.9340 174.3347 18 P 4.3519 0.0000 0.0000 65.5929 31.2760 178.5724 19 V 3.5703 7.8243 116.3838 67.0435 31.2784 177.1610 20 E 4.0966 8.7081 118.9802 58.1002 29.2356 178.7177 21 L 3.9143 8.9888 119.5515 58.3467 41.9838 179.2729 22 E 3.8699 10.1359 118.4873 59.3658 29.3322 178.5753 23 K 3.7914 7.7572 118.4322 59.6630 32.4009 177.7370 24 L 4.0124 8.2745 120.8360 58.5837 41.4933 179.4760 25 V 3.6113 8.0391 118.4577 64.7725 31.2592 179.4400 26 R 4.4198 8.0885 117.8921 55.3899 30.4234 177.0558 27 E 4.5030 9.3542 119.4132 56.8372 33.7407 177.2002 28 K 3.7993 8.0360 118.1467 59.5110 32.3185 177.7837 29 K 3.7310 8.2039 118.6800 59.9521 31.6647 178.3975 30 R 4.1762 7.6023 118.7093 58.3173 29.8805 177.8717 31 E 3.9194 7.7557 120.0474 58.5685 29.9351 176.9881 32 L 4.5759 8.2549 120.9276 55.6686 40.9008 175.9366 33 M 3.0189 8.7374 117.9748 55.6479 29.6780 176.3414 34 E 4.1415 8.5010 122.7638 56.0391 31.0576 176.0300 35 L 4.0766 8.3418 128.7177 55.3872 40.6184 177.8938 36 R 4.5328 7.2571 123.2640 53.3718 30.5383 173.6527 37 F 4.8727 7.3941 116.3164 57.9894 41.0556 172.8407 38 Q 4.0553 8.4513 124.2061 56.1877 28.6170 176.4952 39 A 4.3703 6.1909 121.0835 53.9666 19.0338 181.2427 40 S 3.5929 6.1466 107.8065 60.4963 66.4563 175.8766 41 I 3.4634 8.6519 118.0461 62.4532 37.9246 181.2740 42 G 3.4716 8.1987 105.8602 45.2337 0.0000 177.8730 43 Q 4.3829 6.0051 115.5521 56.3644 28.9216 176.4103 44 L 4.5266 9.1818 120.7958 56.9821 44.1614 178.2268 45 S 4.2770 7.6793 110.5663 59.0188 61.9637 174.9453 46 Q 3.9240 7.6806 120.1746 60.1997 28.8794 177.8561 47 N 5.1848 8.2282 114.2090 55.5252 37.1673 176.0043 48 H 4.1469 7.8779 116.6374 57.0350 29.5823 174.2370 49 K 4.3432 9.0456 120.3304 56.7623 40.3500 175.3142 50 I 3.4267 7.5572 110.1951 62.5995 38.0625 172.1896 51 R 3.8550 8.8597 130.4008 58.8603 28.3251 174.1707 52 D 4.7299 9.2492 123.7109 54.0386 39.7789 176.3334 53 L 3.4084 10.0999 118.5574 53.8374 42.3462 176.4463 54 K 3.8169 9.2820 125.2630 56.9562 28.4871 176.8126 55 R 4.4896 7.7393 112.3672 57.6001 33.6681 175.0252 56 Q 4.3738 7.7646 117.1672 54.9248 27.4799 174.9172 57 I 3.9073 7.3427 117.3659 59.6328 38.6378 174.9135 58 A 4.2429 8.4149 132.0953 50.9367 18.2805 176.5817 59 R 3.9051 8.4999 122.8437 56.3821 28.9158 175.1184 60 L 3.7491 8.1839 123.1994 57.8889 42.1132 177.4092 61 L 3.9169 8.5467 130.1042 56.1505 38.3783 175.1872 *62 T 4.1515 7.7244 114.7756 61.1286 69.1019 175.8545 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 12 E 8.30 4.24 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 2.27 2.26 0.00 13 A 8.00 3.97 1.32 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 0.00 0.00 0.00 14 R 6.94 3.51 0.00 1.92 1.77 0.00 3.12 0.00 0.00 3.22 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 15 K 8.18 4.18 0.00 1.90 1.88 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.44 7.81 16 L 8.52 5.50 0.00 1.85 2.04 0.92 0.82 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 17 S 7.98 4.59 0.00 3.88 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 18 P 0.00 4.35 0.00 2.19 2.07 0.00 3.66 0.00 0.00 3.81 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 19 V 7.82 3.57 2.24 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 1.06 0.00 0.00 0.93 0.00 0.00 20 E 8.71 4.10 0.00 2.24 1.88 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 2.32 2.65 0.00 21 L 8.99 3.91 0.00 1.73 1.76 0.96 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 22 E 10.14 3.87 0.00 2.23 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 2.37 0.00 23 K 7.76 3.79 0.00 1.79 2.03 0.00 1.76 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.50 7.81 24 L 8.27 4.01 0.00 1.84 1.87 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.04 3.61 2.26 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 0.91 0.00 0.00 0.90 0.00 0.00 26 R 8.09 4.42 0.00 1.89 1.97 0.00 3.14 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 27 E 9.35 4.50 0.00 2.09 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 0.00 2.15 2.20 0.00 28 K 8.04 3.80 0.00 1.78 1.64 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.00 7.81 29 K 8.20 3.73 0.00 1.77 1.70 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.59 7.81 30 R 7.60 4.18 0.00 1.92 2.02 0.00 3.15 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 31 E 7.76 3.92 0.00 1.88 1.72 0.00 0.00 0.00 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 2.27 0.00 32 L 8.25 4.58 0.00 1.47 1.23 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.74 3.02 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 34 E 8.50 4.14 0.00 2.09 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 2.25 0.00 35 L 8.34 4.08 0.00 1.80 1.84 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.26 4.53 0.00 1.78 1.91 0.00 3.51 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 37 F 7.39 4.87 0.00 3.13 2.97 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 0.00 0.00 0.00 38 Q 8.45 4.06 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.28 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 39 A 6.19 4.37 0.96 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 40 S 6.15 3.59 0.00 4.10 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.65 3.46 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.18 0.94 0.00 0.00 42 G 8.20 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 6.01 4.38 0.00 2.48 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.67 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 44 L 9.18 4.53 0.00 1.97 1.63 0.88 0.61 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 45 S 7.68 4.28 0.00 4.10 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 46 Q 7.68 3.92 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 47 N 8.23 5.18 0.00 3.06 3.11 0.00 0.00 6.34 7.90 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 48 H 7.88 4.15 0.00 3.18 3.38 0.00 5.81 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 9.05 4.34 0.00 1.74 1.59 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.29 1.44 7.81 50 I 7.56 3.43 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 1.40 1.10 0.92 0.00 0.00 51 R 8.86 3.85 0.00 1.97 2.06 0.00 3.38 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 1.67 1.54 0.00 52 D 9.25 4.73 0.00 2.75 2.85 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 0.00 0.00 0.00 53 L 10.10 3.41 0.00 1.67 1.58 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 54 K 9.28 3.82 0.00 1.96 1.91 0.00 1.84 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.41 7.81 55 R 7.74 4.49 0.00 1.83 1.82 0.00 3.25 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 56 Q 7.76 4.37 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 57 I 7.34 3.91 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 1.35 0.65 0.91 0.00 0.00 58 A 8.41 4.24 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 59 R 8.50 3.91 0.00 1.79 1.95 0.00 3.30 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 60 L 8.18 3.75 0.00 1.58 1.64 0.92 1.16 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 61 L 8.55 3.92 0.00 1.74 2.10 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 *62 T 7.72 4.15 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 * Residues marked with a * may have inaccurate shift predictions.