NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3562 8.3344 115.2889 57.8871 63.1701 173.4326 3 I 4.4348 7.2106 119.8573 57.7754 41.0342 172.6974 4 T 4.4322 10.1630 119.4195 61.1184 71.1254 176.4314 5 S 3.8630 7.9602 117.4028 61.0730 63.9594 176.1261 6 D 4.4597 8.2605 120.1013 57.4825 40.4789 178.4540 7 E 4.0872 8.7194 119.9328 59.1838 29.6260 179.2714 8 V 3.6518 7.9546 118.5624 65.3454 30.9687 177.8538 9 N 4.4941 8.0613 116.3550 56.3302 38.4932 176.9238 10 F 4.0300 8.1511 121.4313 61.3465 39.4020 176.7795 11 L 4.1145 8.3689 118.6271 58.1188 41.4382 179.6581 12 V 3.5118 7.8721 117.5824 66.1659 31.1775 177.0118 13 Y 4.1885 8.5432 119.8027 61.1598 38.4910 178.2797 14 R 3.6146 8.4321 118.8088 59.5187 30.1993 178.0842 15 Y 4.0521 8.1220 118.9028 60.9768 38.7458 178.4787 16 L 4.1188 8.2293 119.6575 58.1307 41.8091 179.3956 17 Q 3.8524 7.4766 117.2471 58.9883 28.5779 178.5164 18 E 3.7853 8.1007 119.3307 59.8775 29.4293 179.9802 19 S 3.8299 7.8342 113.3155 59.4940 62.6208 175.1958 20 G 3.6870 8.0263 109.6786 46.2338 0.0000 174.5810 21 F 5.1586 8.2186 117.3143 58.3945 37.7450 177.5904 22 S 4.0313 7.6712 115.9913 61.7689 63.0677 174.7296 23 H 4.3833 8.1262 118.3962 59.2342 28.6647 177.7084 24 S 4.2517 8.3550 116.2286 61.5396 62.5158 176.4051 25 A 4.2309 8.1509 123.2754 55.3408 18.0219 179.4035 26 F 4.2996 8.1423 118.4184 62.2817 39.4587 176.9589 27 T 3.8537 8.2997 115.4839 66.5290 68.2205 176.1635 28 F 3.9818 8.7890 122.6313 61.1720 38.9758 177.4984 29 G 3.4705 8.9795 106.7335 47.8481 0.0000 175.4061 30 I 3.4683 6.9777 122.1524 63.1872 37.3206 177.7321 31 E 3.6380 7.8148 119.4160 59.1238 29.2485 178.1672 32 S 3.9521 7.0331 111.4239 57.1027 64.3335 173.8862 33 H 3.9235 7.8402 119.4514 57.2473 26.8168 176.0554 34 I 3.5850 7.1125 121.9954 63.8862 38.3728 177.0551 35 S 4.3719 7.8122 111.0950 58.8784 63.1373 173.9109 36 Q 4.2764 7.3838 122.1650 57.5067 29.9427 176.2319 37 S 4.2555 7.6252 111.9425 59.1134 62.6061 173.2557 38 N 4.8904 8.6309 125.9135 53.8167 39.2998 174.3055 39 I 4.1604 7.7064 116.8858 59.4760 38.8946 175.7098 40 N 4.5161 8.5003 123.5589 52.8673 37.7894 175.4133 41 G 3.5554 8.3991 114.4869 46.5863 0.0000 172.8357 42 T 4.2903 7.7155 108.9802 62.4193 69.1859 174.6902 43 L 4.8556 7.5840 122.5237 54.3705 42.7814 176.8865 44 V 4.3473 7.5852 116.8632 59.2506 34.0161 173.3885 45 P 4.4556 0.0000 0.0000 61.0755 31.9495 174.3447 46 P 4.4082 0.0000 0.0000 62.7991 31.4003 175.6992 47 A 4.4279 9.2294 120.0517 52.8287 17.1717 179.5366 48 A 4.2555 7.5426 124.0924 56.9117 18.8903 181.0807 49 L 4.0029 8.0622 117.2382 58.4352 42.3576 178.6918 50 I 3.9795 7.2833 117.3214 62.8737 37.5300 176.1814 51 S 4.5788 8.4647 114.1815 59.8016 64.7871 176.3117 52 I 3.6733 7.3572 121.8479 63.7909 36.6746 177.9512 53 L 3.9254 8.0114 119.1398 58.2848 41.6604 179.1579 54 Q 4.0018 8.1189 118.4051 58.7855 28.8846 177.7931 55 K 4.5796 8.0947 117.5723 56.8021 32.8869 178.7563 56 G 3.6441 8.2913 107.0782 47.4737 0.0000 175.8736 57 L 4.0687 7.8029 120.9475 57.8692 41.6321 179.7117 58 Q 4.3692 7.6562 118.2289 58.3241 28.6352 177.6680 59 Y 4.1056 8.0002 120.6412 60.8701 38.8560 178.4868 60 V 3.8541 7.8639 120.0738 65.7118 31.5395 177.7714 61 E 3.9687 8.6988 118.2110 58.8749 28.8094 178.4314 62 A 4.8350 7.8438 120.2703 51.9956 19.1163 179.0026 63 E 3.5978 8.0293 118.0247 59.3042 29.4561 179.1248 64 I 3.7501 7.6452 119.9488 64.3986 37.4007 178.6758 65 S 4.2078 8.0907 114.7612 60.8559 62.5699 175.9655 66 I 3.8134 7.1467 117.9565 63.7969 37.4430 176.2466 *67 N 4.5090 8.1506 123.1674 52.5518 38.2222 179.4674 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 4.36 0.00 3.83 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 7.21 4.43 1.86 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 1.47 0.97 0.90 0.00 0.00 4 T 10.16 4.43 4.26 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 1.22 0.00 0.00 5 S 7.96 3.86 0.00 3.91 3.85 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 6 D 8.26 4.46 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.72 4.09 0.00 2.18 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 0.00 2.35 2.35 0.00 8 V 7.95 3.65 2.11 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 0.99 0.00 0.00 0.96 0.00 0.00 9 N 8.06 4.49 0.00 3.25 3.15 0.00 0.00 6.60 7.81 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 10 F 8.15 4.03 0.00 3.31 3.16 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 0.00 0.00 0.00 11 L 8.37 4.11 0.00 2.08 1.78 1.05 0.69 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 12 V 7.87 3.51 2.02 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 0.69 0.00 0.00 0.90 0.00 0.00 13 Y 8.54 4.19 0.00 3.22 3.10 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 14 R 8.43 3.61 0.00 2.26 2.17 0.00 3.38 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.16 0.00 15 Y 8.12 4.05 0.00 3.06 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.12 0.00 1.91 1.83 0.90 1.37 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 17 Q 7.48 3.85 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.17 0.00 18 E 8.10 3.79 0.00 1.90 1.83 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 2.25 2.27 0.00 19 S 7.83 3.83 0.00 2.81 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 20 G 8.03 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 21 F 8.22 5.16 0.00 3.17 2.91 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 22 S 7.67 4.03 0.00 3.86 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 23 H 8.13 4.38 0.00 3.28 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.36 4.25 0.00 4.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.23 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.14 4.30 0.00 3.23 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 27 T 8.30 3.85 4.35 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 1.23 0.00 0.00 28 F 8.79 3.98 0.00 3.23 3.27 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 29 G 8.98 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 30 I 6.98 3.47 1.57 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 0.72 0.74 0.00 0.00 31 E 7.81 3.64 0.00 1.87 1.68 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 2.14 2.21 0.00 32 S 7.03 3.95 0.00 3.48 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 33 H 7.84 3.92 0.00 3.18 3.21 0.00 5.61 0.00 0.00 0.00 0.00 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.11 3.58 1.49 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 1.36 0.45 0.00 0.00 35 S 7.81 4.37 0.00 4.00 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 7.38 4.28 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 37 S 7.63 4.26 0.00 4.09 3.92 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 0.00 0.00 0.00 38 N 8.63 4.89 0.00 2.72 2.79 0.00 0.00 7.11 7.94 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 39 I 7.71 4.16 1.81 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 1.30 0.71 0.72 0.00 0.00 40 N 8.50 4.52 0.00 2.70 2.68 0.00 0.00 7.10 7.96 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 41 G 8.40 3.56 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 42 T 7.72 4.29 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 1.24 0.00 0.00 43 L 7.58 4.86 0.00 1.69 1.61 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.59 4.35 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.88 0.00 0.00 45 P 0.00 4.46 0.00 2.06 2.01 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 46 P 0.00 4.41 0.00 2.16 1.99 0.00 4.01 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 47 A 9.23 4.43 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 48 A 7.54 4.26 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 8.06 4.00 0.00 1.82 1.76 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.28 3.98 1.93 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 0.66 0.99 0.00 0.00 51 S 8.46 4.58 0.00 3.95 4.06 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 52 I 7.36 3.67 1.86 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 0.55 0.88 0.00 0.00 53 L 8.01 3.93 0.00 1.91 1.73 0.88 0.65 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 54 Q 8.12 4.00 0.00 2.34 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 55 K 8.09 4.58 0.00 1.97 1.83 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.44 7.81 56 G 8.29 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 57 L 7.80 4.07 0.00 1.94 1.76 0.98 1.35 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 58 Q 7.66 4.37 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 59 Y 8.00 4.11 0.00 3.20 3.16 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 0.00 0.00 0.00 60 V 7.86 3.85 2.39 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 1.24 0.00 0.00 1.14 0.00 0.00 61 E 8.70 3.97 0.00 2.15 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 2.34 2.34 0.00 62 A 7.84 4.84 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.03 3.60 0.00 2.12 1.91 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 1.93 2.07 0.00 64 I 7.65 3.75 1.99 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 1.58 0.71 0.90 0.00 0.00 65 S 8.09 4.21 0.00 4.07 4.16 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 0.00 0.00 0.00 66 I 7.15 3.81 1.83 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 1.38 0.61 0.91 0.00 0.00 *67 N 8.15 4.51 0.00 2.54 2.66 0.00 0.00 6.83 7.15 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 * Residues marked with a * may have inaccurate shift predictions.