NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4287 8.1627 120.3520 55.8804 34.3902 177.0850 2 T 3.8652 8.0501 112.6279 65.5667 67.1386 173.3658 3 I 3.6790 8.3759 120.5543 64.7360 37.3714 177.0421 4 L 3.7560 7.8248 119.1186 58.7621 42.1787 178.9066 5 F 4.1841 8.7671 120.0216 61.7637 39.3778 177.1669 6 Q 3.5241 8.7315 117.7843 59.1912 28.7215 179.4659 7 L 3.9241 8.0538 119.3662 57.5337 41.7037 179.5314 8 A 3.8695 8.1815 121.1462 55.1945 18.5635 179.4383 9 L 3.7110 8.1998 118.9388 58.1453 41.9308 179.0233 10 A 4.0369 8.5166 120.4792 54.3680 18.1429 179.5953 11 A 3.9121 7.6696 119.8065 55.2111 18.7654 179.4914 12 L 3.9103 7.6915 118.1344 57.9253 41.8515 178.7933 13 V 3.8912 7.2644 117.7412 65.7191 31.5214 177.6618 14 I 3.7169 7.7197 119.2825 64.3653 37.0677 178.2709 15 L 4.0127 8.4012 121.4178 58.3501 41.9049 179.2004 16 S 4.2954 7.9200 113.7548 61.5647 62.9463 176.3031 17 F 3.8846 8.6292 123.6041 61.3896 39.0949 177.2144 18 V 3.7565 8.2852 117.8354 66.3525 31.3349 177.5674 19 M 3.9427 8.4473 118.7024 58.5608 31.6351 178.5806 20 V 3.4845 7.5527 116.7496 66.5275 31.4185 177.9247 21 I 3.9891 7.6740 118.7178 64.4634 36.5466 177.4952 22 G 3.7553 8.8569 107.7706 45.1588 0.0000 176.5419 23 V 3.2064 7.4646 118.7831 64.6120 32.6194 176.2125 24 P 4.3635 0.0000 0.0000 65.4280 31.2471 178.4307 25 V 3.6361 7.6946 115.4077 66.8882 31.1995 177.3820 26 A 3.9455 9.0102 120.0823 55.0985 18.1130 178.3635 27 Y 4.5337 8.5102 115.9834 61.2383 38.4043 179.0459 28 A 4.4589 8.7208 120.6652 52.8878 19.5309 178.0966 29 S 4.5686 7.9098 113.7635 55.8543 62.8240 172.8435 30 P 4.3571 0.0000 0.0000 66.3281 31.5742 178.4923 31 Q 4.2258 7.2562 118.4033 55.5099 25.5803 181.3501 32 D 4.6569 8.4000 129.1115 54.4392 36.4180 176.8847 *33 W 4.5359 7.9834 123.4185 60.2838 27.5056 178.5657 34 D 4.9907 7.8925 125.4134 58.6303 40.2156 184.2056 35 R 4.1806 7.9044 123.2831 62.4043 29.6109 182.4142 36 S 4.4490 8.2171 121.7959 63.3524 62.0684 178.7293 37 K 4.1002 7.6567 126.5415 61.2533 31.3046 182.7582 38 Q 4.3738 8.2570 121.8676 59.6737 28.1070 179.9706 39 L 4.0707 7.8687 119.7654 58.1087 41.7772 179.5716 40 I 3.6254 8.6246 120.1722 64.7634 37.2897 178.2414 41 F 4.1546 8.0499 121.1159 61.1538 39.0541 176.7821 42 L 3.9117 8.0368 120.3179 57.8053 41.8937 178.6743 43 G 3.8568 8.1681 105.5306 48.6159 0.0000 174.9053 44 S 4.3211 8.4228 118.3829 61.2883 62.8661 176.9506 45 G 3.4687 7.7184 107.2572 47.9291 0.0000 174.7569 46 L 3.9178 8.1504 123.8423 57.5502 42.0258 178.6326 47 W 4.1124 8.9390 128.7332 60.7851 30.5164 177.5510 48 I 3.7383 8.1682 119.1570 64.5357 36.6592 178.1145 49 A 3.9446 8.0178 121.0658 55.2051 18.2181 179.2330 50 L 3.7873 8.1226 117.8372 58.2030 41.6979 179.7518 51 V 3.2690 7.6795 117.8860 66.3024 31.2185 177.9335 52 L 4.0131 8.0262 118.4365 57.7525 41.3218 179.9761 53 V 3.5835 8.2766 118.3993 66.1254 31.5097 178.2238 54 V 3.8560 8.2458 118.5786 65.8581 31.0404 177.9126 55 G 3.6929 8.2075 105.1126 48.0716 0.0000 175.4872 56 V 3.9418 7.6339 121.3395 65.5068 31.4412 178.0593 57 L 4.1706 8.3767 119.0779 57.6028 41.3218 178.8814 58 N 3.4319 8.0428 117.3300 56.6605 38.5515 176.7998 59 F 3.9954 6.8165 117.3449 60.4942 39.0574 177.1433 60 F 4.6977 7.3483 114.9719 59.1965 38.8117 176.2058 61 V 4.1297 7.5259 119.0264 64.8856 32.6133 176.2134 62 V 3.7580 7.3926 119.7563 61.1619 31.4052 178.0711 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 M 8.16 4.43 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 2 T 8.05 3.87 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 3 I 8.38 3.68 1.89 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 1.54 0.43 0.91 0.00 0.00 4 L 7.82 3.76 0.00 1.78 1.99 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.77 4.18 0.00 3.18 3.23 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 6 Q 8.73 3.52 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 7 L 8.05 3.92 0.00 1.76 1.68 0.90 0.95 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 8 A 8.18 3.87 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 9 L 8.20 3.71 0.00 1.16 1.29 0.81 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.52 4.04 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.67 3.91 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.69 3.91 0.00 1.62 1.76 0.16 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.26 3.89 2.27 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 1.13 0.00 0.00 0.98 0.00 0.00 14 I 7.72 3.72 1.87 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 1.35 0.65 0.85 0.00 0.00 15 L 8.40 4.01 0.00 1.79 1.90 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.92 4.30 0.00 4.42 4.10 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 0.00 0.00 0.00 17 F 8.63 3.88 0.00 3.31 3.23 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 18 V 8.29 3.76 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.12 0.00 0.00 19 M 8.45 3.94 0.00 1.88 2.21 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.95 0.00 20 V 7.55 3.48 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 0.64 0.00 0.00 0.86 0.00 0.00 21 I 7.67 3.99 1.91 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.36 0.93 0.00 0.00 22 G 8.86 3.76 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 0.00 0.00 0.00 23 V 7.46 3.21 2.04 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 0.88 0.00 0.00 0.72 0.00 0.00 24 P 0.00 4.36 0.00 2.18 2.04 0.00 3.75 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.13 0.00 25 V 7.69 3.64 2.15 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 1.01 0.00 0.00 0.99 0.00 0.00 26 A 9.01 3.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.51 4.53 0.00 3.13 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 28 A 8.72 4.46 1.33 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 0.00 0.00 0.00 0.00 0.00 29 S 7.91 4.57 0.00 4.05 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 30 P 0.00 4.36 0.00 2.07 2.19 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 31 Q 7.26 4.23 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.21 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 32 D 8.40 4.66 0.00 2.73 2.93 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 *33 W 7.98 4.54 0.00 2.59 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 0.00 0.00 0.00 0.00 34 D 7.89 4.99 0.00 2.65 2.68 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 0.00 0.00 0.00 0.00 35 R 7.90 4.18 0.00 1.81 1.96 0.00 3.22 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 36 S 8.22 4.45 0.00 3.73 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.66 4.10 0.00 1.72 1.88 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.35 7.81 38 Q 8.26 4.37 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 39 L 7.87 4.07 0.00 1.85 1.78 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.62 3.63 1.93 0.00 0.00 0.44 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 0.68 0.84 0.00 0.00 41 F 8.05 4.15 0.00 3.25 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 42 L 8.04 3.91 0.00 1.87 1.87 0.92 1.03 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 43 G 8.17 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 0.00 0.00 0.00 44 S 8.42 4.32 0.00 3.68 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.72 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 46 L 8.15 3.92 0.00 1.74 2.03 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 47 W 8.94 4.11 0.00 3.54 3.33 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 0.00 0.00 0.00 48 I 8.17 3.74 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.91 0.97 0.00 0.00 49 A 8.02 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 3.79 0.00 1.68 1.52 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.68 3.27 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 0.88 0.00 0.00 -0.19 0.00 0.00 52 L 8.03 4.01 0.00 1.85 1.72 0.93 0.91 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 53 V 8.28 3.58 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 1.14 0.00 0.00 0.96 0.00 0.00 54 V 8.25 3.86 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 1.19 0.00 0.00 0.89 0.00 0.00 55 G 8.21 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.63 3.94 2.27 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 0.99 0.00 0.00 1.03 0.00 0.00 57 L 8.38 4.17 0.00 2.16 1.91 1.16 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.04 3.43 0.00 2.40 2.52 0.00 0.00 7.11 8.46 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 59 F 6.82 4.00 0.00 2.74 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.35 4.70 0.00 3.14 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 61 V 7.53 4.13 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.49 0.00 0.00 62 V 7.39 3.76 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 0.76 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.