NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.7390 8.0600 120.2556 56.7820 32.2324 177.2066 2 M 3.8366 8.0176 116.8158 57.9189 32.0224 176.4296 3 R 4.0853 8.7473 119.7755 59.4698 30.6858 177.9469 4 Q 4.1644 7.9279 117.5769 58.8458 28.7783 178.5367 5 I 3.7441 7.9564 121.0100 64.3668 37.2360 178.2930 6 E 3.9898 8.3080 119.4529 59.4302 29.3638 179.0489 7 D 4.3577 8.2351 118.9601 57.5723 40.8918 179.0172 8 R 3.9514 8.0015 119.0235 59.2746 29.9627 178.5327 9 L 4.0090 8.0940 119.0120 57.6763 41.5961 179.3153 10 E 4.0245 8.2992 120.9848 59.9850 29.3934 179.8535 11 E 4.0195 8.1347 118.1832 61.1322 29.6979 181.1557 12 I 3.9214 7.9680 121.0292 64.2638 37.1857 178.5359 13 L 3.9737 8.2135 120.0993 57.7465 41.3971 179.5992 14 S 4.0719 8.0595 112.9961 61.3113 62.3176 176.3889 15 K 4.0397 8.0737 121.1855 59.5194 31.7318 179.3037 16 L 3.9851 8.2464 119.5574 58.1865 41.5375 179.3175 *17 H 4.0867 8.2334 116.0809 59.2340 28.5118 177.6365 18 H 4.2986 8.0606 117.5587 58.7270 28.5341 177.9477 19 I 3.7681 8.0778 121.9850 64.4328 36.9189 178.2384 20 C 4.1460 8.3610 117.8190 62.9688 28.0138 175.8399 21 N 4.3386 8.2133 118.0060 56.3531 38.0231 177.1381 22 E 3.9634 8.3302 120.6427 59.2604 29.7071 178.8404 23 L 3.9886 8.1081 118.8640 57.6365 41.6063 179.4151 24 A 3.9855 8.1518 120.8691 55.1210 18.2411 179.9324 25 R 3.8725 8.1233 116.6055 59.3888 30.1539 179.2951 26 I 3.6819 8.0778 119.9743 64.4725 37.2661 178.4017 27 R 3.9008 8.1918 119.6031 59.2929 29.6959 178.5803 28 R 3.8408 7.9387 118.4357 59.5129 29.9734 178.1758 29 L 3.9743 7.9376 117.6906 58.2426 41.4787 179.4672 30 L 4.2489 8.1132 118.7092 57.5924 41.3485 179.5845 31 G 3.7261 7.8231 103.9830 46.7096 0.0000 174.5533 32 E 4.4254 7.5223 119.1543 56.4741 29.7854 176.4664 33 R 4.2051 7.5075 123.6038 56.3128 30.3298 176.1261 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 R 8.06 4.74 0.00 1.90 1.98 0.00 3.25 0.00 0.00 3.42 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 2 M 8.02 3.84 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.71 0.00 3 R 8.75 4.09 0.00 2.01 1.91 0.00 3.35 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.29 0.00 4 Q 7.93 4.16 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 5 I 7.96 3.74 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 1.52 1.06 0.91 0.00 0.00 6 E 8.31 3.99 0.00 2.18 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 2.33 2.44 0.00 7 D 8.24 4.36 0.00 2.89 2.72 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 0.00 0.00 0.00 8 R 8.00 3.95 0.00 2.04 2.07 0.00 3.14 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 1.62 1.71 0.00 9 L 8.09 4.01 0.00 2.06 1.70 0.92 0.74 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 10 E 8.30 4.02 0.00 2.24 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 2.33 2.44 0.00 11 E 8.13 4.02 0.00 2.01 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 2.24 2.22 0.00 12 I 7.97 3.92 2.02 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 0.63 0.91 0.00 0.00 13 L 8.21 3.97 0.00 1.82 1.71 0.92 1.06 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 14 S 8.06 4.07 0.00 3.93 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 0.00 15 K 8.07 4.04 0.00 2.00 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.68 7.81 16 L 8.25 3.99 0.00 1.87 1.71 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 *17 H 8.23 4.09 0.00 3.12 3.01 0.00 7.17 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 18 H 8.06 4.30 0.00 3.33 3.34 0.00 5.62 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 19 I 8.08 3.77 2.02 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 1.53 1.03 0.92 0.00 0.00 20 C 8.36 4.15 0.00 3.14 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 21 N 8.21 4.34 0.00 2.94 2.89 0.00 0.00 6.72 6.95 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 22 E 8.33 3.96 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 23 L 8.11 3.99 0.00 1.89 1.70 0.92 0.50 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 24 A 8.15 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.12 3.87 0.00 2.06 1.99 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 26 I 8.08 3.68 2.01 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 1.41 0.84 0.91 0.00 0.00 27 R 8.19 3.90 0.00 1.95 2.09 0.00 3.09 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 28 R 7.94 3.84 0.00 2.22 1.98 0.00 3.29 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 29 L 7.94 3.97 0.00 2.07 1.74 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.11 4.25 0.00 1.87 1.71 0.92 0.93 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 31 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 32 E 7.52 4.43 0.00 2.04 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 2.51 0.00 33 R 7.51 4.21 0.00 1.99 1.83 0.00 3.31 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 1.60 1.68 0.00 * Residues marked with a * may have inaccurate shift predictions.