NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3887 8.3344 115.4110 57.6071 63.5359 173.1330 3 I 3.6222 8.2601 126.5183 60.4440 38.4789 174.6269 4 T 4.3822 9.7717 123.5907 60.8752 70.6380 175.4699 5 S 4.1194 8.4010 118.8870 61.9488 62.8307 176.6118 6 D 4.4702 8.1828 120.9176 57.5045 40.5124 178.8535 7 E 4.0203 8.1146 118.5322 59.3389 29.5598 179.1963 8 V 3.6636 7.7802 118.2011 66.1777 31.5136 177.7258 9 N 4.6968 8.6961 116.5715 56.5223 38.4408 177.2044 10 F 4.0622 8.6837 122.1616 61.2136 39.5371 177.0356 11 L 4.1763 8.3703 118.7140 58.1667 41.4458 180.0608 12 V 3.7624 8.3690 112.5759 64.2538 31.4556 177.7106 13 Y 4.4901 8.6381 119.8158 61.2813 38.4790 178.8165 14 R 3.6512 8.0534 118.5845 59.2000 30.1212 178.4066 15 Y 4.0851 8.0686 119.3619 60.5925 38.8011 178.2298 16 L 4.0526 8.4576 120.2497 57.8891 41.9260 179.1847 17 Q 3.8249 7.8363 117.9325 59.3482 28.4094 179.3242 18 E 3.9037 8.2442 119.4163 59.1550 29.2846 178.8730 19 S 4.1056 7.5729 112.7623 58.1965 62.9243 174.8467 20 G 3.6429 7.1745 109.2813 46.7603 0.0000 175.8324 21 F 4.7447 7.3395 120.6883 55.8018 36.3748 175.9950 22 S 4.0947 7.9702 119.0495 61.9535 63.1371 175.7310 23 H 4.4449 7.9904 118.2323 58.7620 28.5080 177.9085 24 S 4.1991 8.2043 116.3792 61.5625 62.6894 176.3076 25 A 4.2028 8.2948 123.4710 55.1838 17.7615 179.3522 26 F 4.1620 8.2782 118.5648 61.9641 39.5531 177.5048 27 T 3.9165 8.4643 115.4323 66.6647 68.2890 176.5835 28 F 4.4374 9.3415 123.8431 61.1427 39.3980 177.2041 29 G 3.3233 8.5636 105.8514 47.7295 0.0000 175.7233 30 I 3.4689 7.0765 120.4776 64.1226 37.0460 178.0486 31 E 3.7611 7.7902 118.7009 59.4203 29.5265 178.8151 32 S 3.8264 7.7645 114.0586 59.0737 63.2688 173.6769 33 H 3.9251 7.7865 118.2857 56.7831 27.2979 176.1753 34 I 3.8406 7.2362 117.3682 63.7994 35.1121 177.0938 35 S 3.5474 7.8422 111.4616 60.0756 61.2339 173.9358 36 Q 4.0703 7.5988 119.9736 55.6536 27.7678 180.5621 *40 N 4.4165 8.1035 117.3121 52.2728 39.0026 177.1545 41 G 4.0786 8.6972 114.2411 48.3123 0.0000 174.6517 42 T 3.9138 8.0551 115.2286 66.4388 68.5022 175.3863 43 L 4.0753 7.8393 120.0208 56.4189 41.8658 177.4633 44 V 4.0098 7.5247 118.6359 59.3116 30.3763 174.0255 45 P 4.5349 0.0000 0.0000 61.4027 32.0400 174.3654 46 P 4.6549 0.0000 0.0000 62.9325 31.6246 175.0877 47 A 3.8117 9.3160 119.0616 53.3476 17.0337 180.0051 48 A 4.0876 8.1676 122.5281 56.1984 19.0766 179.1517 49 L 3.8849 8.0516 118.4689 58.6464 41.9972 179.1805 50 I 3.6636 7.7457 118.7153 64.5663 37.1934 178.4493 51 S 4.1498 8.2627 115.9740 61.7792 62.6910 176.9588 52 I 3.7961 7.9272 122.4531 64.2850 36.9342 178.5076 53 L 4.0021 8.0896 119.9814 57.7286 41.2480 179.3594 54 Q 4.0032 8.2858 119.7012 59.0558 28.9745 178.4002 55 K 4.1457 8.0885 119.3534 59.3477 32.0535 179.5532 56 G 3.6450 8.2422 106.0741 47.7629 0.0000 175.7923 57 L 4.0719 7.9171 120.7998 57.4622 41.4561 179.0009 58 Q 4.0004 7.9275 119.5898 59.5660 28.9906 178.1359 59 Y 4.0365 8.1659 120.4180 60.6025 38.8666 177.8614 60 V 3.8281 8.2964 121.8520 66.7045 31.4691 178.4180 61 E 4.1334 8.5642 116.7688 60.2920 29.4908 180.3703 62 A 4.3536 7.4992 118.0046 55.3521 18.4357 179.5034 63 E 3.9444 7.9428 118.4290 59.9271 29.7081 179.0159 64 I 3.9808 7.8954 117.5889 62.0216 35.8082 180.1219 65 S 4.8547 7.3652 116.5577 59.0387 62.9903 180.4767 66 I 4.0896 7.7315 124.9798 60.6906 35.3593 177.9165 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 2 S 8.33 4.39 0.00 3.99 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 3 I 8.26 3.62 1.86 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 1.32 1.12 0.91 0.00 0.00 4 T 9.77 4.38 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 1.36 0.00 0.00 5 S 8.40 4.12 0.00 3.92 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.18 4.47 0.00 2.70 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.11 4.02 0.00 2.21 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 0.00 2.41 2.37 0.00 8 V 7.78 3.66 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 1.17 0.00 0.00 0.99 0.00 0.00 9 N 8.70 4.70 0.00 3.06 2.91 0.00 0.00 6.71 7.68 0.00 0.00 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 8.68 4.06 0.00 3.36 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.18 0.00 2.21 1.80 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.37 3.76 1.89 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 0.83 0.00 0.00 0.52 0.00 0.00 13 Y 8.64 4.49 0.00 3.22 3.02 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 0.00 0.00 0.00 14 R 8.05 3.65 0.00 1.98 2.14 0.00 3.20 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 1.23 1.93 0.00 15 Y 8.07 4.09 0.00 3.17 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.46 4.05 0.00 1.89 1.79 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.84 3.82 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.02 1.82 0.00 18 E 8.24 3.90 0.00 1.91 1.89 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 2.26 2.36 0.00 19 S 7.57 4.11 0.00 2.90 2.88 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 0.00 0.00 0.00 20 G 7.17 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 21 F 7.34 4.74 0.00 3.17 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 22 S 7.97 4.09 0.00 3.52 3.79 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 23 H 7.99 4.44 0.00 3.24 3.40 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 24 S 8.20 4.20 0.00 4.07 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 25 A 8.29 4.20 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 26 F 8.28 4.16 0.00 3.33 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 3.92 4.47 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 1.29 0.00 0.00 28 F 9.34 4.44 0.00 3.15 3.26 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 29 G 8.56 3.32 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 0.00 30 I 7.08 3.47 1.77 0.00 0.00 0.53 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 0.51 0.76 0.00 0.00 31 E 7.79 3.76 0.00 2.12 1.94 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 2.29 2.32 0.00 32 S 7.76 3.83 0.00 3.15 3.40 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 0.00 33 H 7.79 3.93 0.00 3.15 3.25 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.24 3.84 1.19 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.35 0.41 0.00 0.00 35 S 7.84 3.55 0.00 3.92 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 36 Q 7.60 4.07 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.54 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 *40 N 8.10 4.42 0.00 2.67 2.81 0.00 0.00 6.59 7.43 0.00 0.00 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 G 8.70 4.08 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 0.00 0.00 0.00 42 T 8.06 3.91 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 43 L 7.84 4.08 0.00 1.75 1.71 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.52 4.01 2.19 0.00 0.00 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 1.12 0.00 0.00 45 P 0.00 4.53 0.00 2.23 2.15 0.00 3.82 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 2.03 1.98 0.00 46 P 0.00 4.65 0.00 2.21 2.11 0.00 3.55 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 47 A 9.32 3.81 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 48 A 8.17 4.09 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.05 3.88 0.00 1.95 1.68 0.88 0.56 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 50 I 7.75 3.66 2.09 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.54 0.94 0.00 0.00 51 S 8.26 4.15 0.00 4.02 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.93 3.80 1.87 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 1.53 1.07 0.90 0.00 0.00 53 L 8.09 4.00 0.00 1.84 1.68 0.80 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.29 4.00 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 55 K 8.09 4.15 0.00 2.02 1.87 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.62 7.81 56 G 8.24 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.92 4.07 0.00 1.75 1.74 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 7.93 4.00 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 59 Y 8.17 4.04 0.00 3.26 3.06 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 0.00 0.00 0.00 60 V 8.30 3.83 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 0.97 0.00 0.00 1.06 0.00 0.00 61 E 8.56 4.13 0.00 2.07 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 2.26 2.19 0.00 62 A 7.50 4.35 1.23 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 0.00 0.00 0.00 63 E 7.94 3.94 0.00 2.18 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 0.00 2.32 2.12 0.00 64 I 7.90 3.98 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 1.16 0.62 0.91 0.00 0.00 65 S 7.37 4.85 0.00 3.64 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 66 I 7.73 4.09 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 1.27 1.14 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.