NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4229 8.4449 121.4650 55.6176 30.9718 175.5209 4 S 4.1470 9.2926 123.4167 57.4654 63.5112 173.6826 5 L 3.9755 9.5477 127.4105 58.0891 42.9337 177.3932 6 L 4.5941 7.9325 116.0856 54.9122 42.0823 177.2884 7 Y 4.2606 8.3751 122.1276 61.1124 38.5720 178.6819 8 G 3.6440 8.3060 105.8281 47.8826 0.0000 174.6876 9 Y 3.9412 7.9158 121.2818 60.6484 38.9123 178.1509 10 F 4.2387 8.2738 120.1671 59.4850 38.9146 177.5773 11 L 3.6175 7.9348 120.5820 58.0423 41.8429 178.4789 12 D 4.1675 7.9885 118.2190 57.3797 40.6061 178.4494 13 S 4.3015 7.6207 115.5629 60.4309 62.9089 176.3869 14 W 4.0850 8.1740 132.1033 60.3495 30.5205 178.1521 15 L 3.5431 7.9524 119.2877 56.8398 40.7092 178.1007 16 D 4.6017 7.9018 117.2896 52.7248 39.4736 177.6128 17 G 2.5625 6.9546 107.6735 46.0504 0.0000 174.7576 18 T 4.0604 7.8060 111.1709 63.2269 69.5031 175.0909 19 A 4.5466 7.8809 124.4999 50.9886 19.6954 176.4677 20 S 4.8233 8.3504 115.6939 55.9549 65.7690 173.9165 21 E 4.2501 8.8081 120.8868 59.4105 29.9246 177.3766 22 E 4.2678 7.5055 120.0686 56.7693 27.1417 177.1283 *25 R 4.1908 7.8849 120.8618 56.0835 32.8754 178.5364 26 V 3.5231 7.8263 116.7059 65.9318 31.4489 177.8403 27 A 3.7954 7.7706 119.9989 55.1154 18.2043 179.6800 28 V 4.0790 7.4474 117.4782 65.6311 31.5119 177.5019 29 N 4.2516 8.1055 115.6067 56.7902 38.8713 176.4750 30 A 4.1792 8.1136 121.1279 53.2876 18.4418 178.5073 31 G 3.8896 7.7375 104.4723 45.8571 0.0000 174.0755 32 D 4.7010 7.8574 118.9159 55.1484 41.7156 176.5305 33 L 4.9723 7.3529 118.3629 52.2690 45.9771 175.7136 34 T 4.6404 8.6758 112.3323 60.8010 71.4291 175.9007 35 Q 3.9275 8.4323 121.8986 59.3520 29.0009 178.0493 36 E 3.9375 8.1656 119.1234 59.5649 29.4665 179.1526 37 E 4.0619 8.2474 118.2104 59.3110 29.3646 179.0936 38 A 3.8738 7.8381 119.7003 55.4016 18.4885 179.1619 39 D 4.3409 8.1027 116.3955 57.1790 40.9083 178.8306 40 K 4.2941 7.9432 119.6767 58.8490 32.4440 181.0870 41 I 3.7426 7.9426 119.4174 61.5455 37.1006 178.1517 *43 S 4.4432 8.1516 117.4309 58.4513 64.7902 173.9189 44 Y 4.5040 7.8116 117.6253 56.2281 38.5512 173.4720 45 P 4.5329 0.0000 0.0000 62.1281 31.8755 175.7552 46 W 3.3198 9.0239 133.9310 58.2555 31.1086 175.5091 47 G 3.0450 7.6855 112.4498 45.8342 0.0000 175.1373 48 A 4.0258 7.3336 124.6166 54.8124 18.3460 180.1458 49 W 4.8454 8.3591 115.0089 59.1638 29.3640 176.1121 50 N 4.5292 7.9847 120.4833 53.3372 38.0321 174.7724 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 3 E 8.44 4.42 0.00 1.85 1.90 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 2.16 2.16 0.00 4 S 9.29 4.15 0.00 4.13 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.55 3.98 0.00 1.64 1.75 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.93 4.59 0.00 2.06 1.72 0.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.38 4.26 0.00 3.26 3.08 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 0.00 0.00 0.00 0.00 8 G 8.31 3.64 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 0.00 0.00 0.00 9 Y 7.92 3.94 0.00 2.93 2.90 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 10 F 8.27 4.24 0.00 3.05 2.95 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 0.00 0.00 0.00 11 L 7.93 3.62 0.00 1.05 1.42 -0.19 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.99 4.17 0.00 2.83 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.62 4.30 0.00 4.02 3.72 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 14 W 8.17 4.08 0.00 3.44 3.12 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 15 L 7.95 3.54 0.00 0.90 0.13 0.05 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.90 4.60 0.00 2.87 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 17 G 6.95 2.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.81 4.06 4.23 0.00 0.00 0.00 0.00 0.00 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 19 A 7.88 4.55 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.35 4.82 0.00 4.09 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 21 E 8.81 4.25 0.00 2.12 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 0.00 2.32 2.37 0.00 22 E 7.51 4.27 0.00 2.32 1.92 0.00 0.00 0.00 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 2.34 0.00 *25 R 7.88 4.19 0.00 2.05 1.99 0.00 3.25 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.56 0.00 26 V 7.83 3.52 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 1.12 0.00 0.00 1.01 0.00 0.00 27 A 7.77 3.80 0.56 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 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.45 4.08 2.01 0.00 0.00 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 0.00 0.00 0.91 0.00 0.00 29 N 8.11 4.25 0.00 2.77 2.98 0.00 0.00 7.25 7.99 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 30 A 8.11 4.18 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 31 G 7.74 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 0.00 0.00 0.00 32 D 7.86 4.70 0.00 2.80 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 33 L 7.35 4.97 0.00 1.52 1.47 0.57 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.68 4.64 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 1.22 0.00 0.00 35 Q 8.43 3.93 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 36 E 8.17 3.94 0.00 2.04 1.98 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 2.39 2.40 0.00 37 E 8.25 4.06 0.00 2.29 2.33 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 2.25 2.32 0.00 38 A 7.84 3.87 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 39 D 8.10 4.34 0.00 2.76 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 40 K 7.94 4.29 0.00 2.09 2.12 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.37 7.81 41 I 7.94 3.74 1.68 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.65 0.40 0.00 0.00 *43 S 8.15 4.44 0.00 3.86 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 44 Y 7.81 4.50 0.00 3.19 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 45 P 0.00 4.53 0.00 2.29 2.30 0.00 3.90 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 46 W 9.02 3.32 0.00 2.51 2.89 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 47 G 7.69 3.05 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 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.33 4.03 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 W 8.36 4.85 0.00 3.19 2.98 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 50 N 7.98 4.53 0.00 2.75 2.66 0.00 0.00 6.82 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.