NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0089 8.0549 120.3872 63.4874 31.4561 174.3318 2 T 4.2463 8.1033 123.3158 62.5672 68.7722 173.2921 3 L 3.9010 8.2493 123.5541 54.5326 43.7793 175.5036 4 F 5.0477 8.1532 120.3255 56.0883 41.3549 174.8842 5 V 4.5286 8.2249 122.4382 61.1414 32.9380 175.5232 6 A 4.5135 8.1242 130.7477 52.2830 18.8260 176.6064 7 L 4.4787 8.4693 123.7658 56.3688 43.3002 176.2753 8 Y 4.7882 7.4725 117.4390 56.4884 41.7261 173.3923 9 D 5.4261 8.3336 119.1926 52.2902 41.4858 174.8477 10 Y 4.9008 8.3389 118.4295 56.2067 42.2150 174.2341 11 E 4.3734 8.1802 126.2120 54.5918 29.9646 173.8907 12 A 4.4996 8.3163 128.9159 50.5129 20.5590 178.0052 13 R 4.6730 8.2945 124.5190 55.8892 30.6602 174.3888 14 T 4.6564 7.2684 113.0721 62.7029 73.0146 173.4812 15 E 4.3656 8.7291 119.6213 59.1969 30.5372 177.7988 16 D 4.5895 8.0746 118.0449 57.4793 41.2177 176.4359 17 D 4.9757 7.8087 117.0063 53.6170 41.4748 175.4230 18 L 4.8930 8.2090 123.2010 53.2878 45.4804 175.5539 19 S 4.9649 8.4016 118.2365 57.8888 64.5459 173.3170 20 F 4.8372 8.6956 120.1308 56.5662 44.0536 172.1207 21 H 5.6455 9.1957 119.5606 54.2496 33.2718 172.6075 22 K 4.3845 8.6122 120.4519 56.5454 33.7367 177.1164 23 G 3.8942 8.8610 106.8520 45.1622 0.0000 173.0228 24 E 4.5655 7.6204 118.7323 54.8172 32.4551 174.6900 25 K 4.4430 8.0032 118.6796 54.5511 35.9669 175.9788 26 F 5.2379 8.2492 120.1562 55.9941 41.7857 174.6894 27 Q 4.8159 8.8001 122.8943 54.2253 30.2376 176.0610 28 I 4.1852 8.2880 115.3111 61.5560 38.5894 174.1486 29 L 4.4597 8.0428 123.3370 56.0918 49.0870 174.8559 30 N 4.5192 7.5923 115.0622 53.1334 40.3698 175.2245 31 S 4.1462 7.5340 116.5263 57.8981 64.3396 173.8847 32 S 4.4531 7.3602 119.0172 59.3860 64.0467 174.4627 33 E 4.9512 7.3583 121.6942 55.3614 37.4300 176.5892 34 G 4.8387 7.2195 124.0663 45.7164 0.0000 171.0590 35 D 4.1562 7.9242 127.4863 54.1758 46.0766 177.2593 36 W 5.0540 9.1138 131.7236 55.9321 31.1382 176.3771 37 W 5.1947 8.4051 124.7670 54.7958 31.5525 175.7364 38 E 4.4464 8.9073 122.1273 56.2696 30.3361 176.2861 39 A 4.6364 7.9563 126.1308 50.0681 20.3487 174.6578 40 R 4.5714 8.5570 121.6491 55.7780 31.7985 175.1173 41 S 5.2242 8.7782 120.7383 56.6488 65.3450 173.6757 42 L 4.4719 8.5309 125.0685 55.4239 41.3768 176.4236 43 T 4.4222 6.8521 105.1006 62.2659 71.4896 175.3438 44 T 3.9834 8.0255 114.4800 62.0768 70.1383 175.6720 45 G 3.7568 8.2785 107.9050 46.4970 0.0000 172.8984 46 E 4.6331 7.6438 118.0320 54.3288 31.9579 176.8647 47 T 4.6794 8.4373 114.0837 60.0523 70.7842 174.1439 48 G 4.3654 7.6760 113.3966 46.3889 0.0000 171.1939 49 Y 5.3380 7.3547 121.1817 56.9609 39.4065 174.8513 50 I 4.6840 8.3440 115.9653 59.2977 41.9449 172.6992 51 P 4.7371 0.0000 0.0000 61.9348 30.5202 176.4141 52 S 4.4843 7.8477 127.6663 58.4840 62.6313 174.8538 53 N 4.4896 7.7780 115.9903 53.8057 39.4999 176.0102 54 Y 4.1271 7.8473 114.4129 58.3648 38.6081 175.4287 55 V 4.4852 7.2331 113.1362 60.8616 34.3708 174.5453 56 A 4.7200 8.1708 119.9045 51.1511 22.3966 175.4498 57 P 5.1538 0.0000 0.0000 61.4579 34.0467 175.1341 58 V 4.3781 8.2488 111.9616 60.0148 34.3141 175.2522 59 D 4.5100 8.7445 122.9983 54.2901 41.1640 175.5876 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 V 8.05 4.01 2.05 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 0.94 0.00 0.00 0.91 0.00 0.00 2 T 8.10 4.25 4.12 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 1.25 0.00 0.00 3 L 8.25 3.90 0.00 1.54 1.49 0.83 1.06 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 4 F 8.15 5.05 0.00 3.35 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.22 4.53 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 0.88 0.00 0.00 0.97 0.00 0.00 6 A 8.12 4.51 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.47 4.48 0.00 1.72 1.77 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 7.47 4.79 0.00 2.84 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 9 D 8.33 5.43 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.34 4.90 0.00 2.89 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 11 E 8.18 4.37 0.00 1.81 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 12 A 8.32 4.50 1.35 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 0.00 0.00 13 R 8.29 4.67 0.00 1.72 1.85 0.00 3.11 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 14 T 7.27 4.66 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 1.17 0.00 0.00 15 E 8.73 4.37 0.00 1.95 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 2.25 2.31 0.00 16 D 8.07 4.59 0.00 2.69 2.86 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 17 D 7.81 4.98 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 4.89 0.00 1.58 1.60 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.40 4.96 0.00 3.77 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 20 F 8.70 4.84 0.00 3.01 3.04 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 0.00 0.00 0.00 0.00 21 H 9.20 5.65 0.00 3.08 3.19 0.00 5.76 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.61 4.38 0.00 1.98 2.03 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.35 7.81 23 G 8.86 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 0.00 0.00 0.00 24 E 7.62 4.57 0.00 1.72 1.81 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 2.35 2.67 0.00 25 K 8.00 4.44 0.00 1.45 1.55 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.32 7.81 26 F 8.25 5.24 0.00 3.30 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 27 Q 8.80 4.82 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 28 I 8.29 4.19 1.90 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 1.29 0.53 1.08 0.00 0.00 29 L 8.04 4.46 0.00 1.58 1.63 0.93 1.02 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 30 N 7.59 4.52 0.00 2.48 1.74 0.00 0.00 6.80 7.71 0.00 0.00 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 S 7.53 4.15 0.00 3.67 3.63 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 32 S 7.36 4.45 0.00 4.05 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 33 E 7.36 4.95 0.00 1.92 1.88 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 2.22 2.23 0.00 34 G 7.22 4.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.92 4.16 0.00 2.36 1.62 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.11 5.05 0.00 3.37 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.41 5.19 0.00 3.27 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 38 E 8.91 4.45 0.00 2.06 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 2.23 2.16 0.00 39 A 7.96 4.64 1.01 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 0.00 0.00 40 R 8.56 4.57 0.00 1.98 1.90 0.00 3.17 0.00 0.00 3.43 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 41 S 8.78 5.22 0.00 4.12 4.07 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 0.00 0.00 0.00 0.00 42 L 8.53 4.47 0.00 1.62 1.68 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 43 T 6.85 4.42 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 1.21 0.00 0.00 44 T 8.03 3.98 4.21 0.00 0.00 0.00 0.00 0.00 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 45 G 8.28 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 46 E 7.64 4.63 0.00 2.02 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 47 T 8.44 4.68 4.11 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 1.23 0.00 0.00 48 G 7.68 4.37 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 0.00 49 Y 7.35 5.34 0.00 2.92 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 50 I 8.34 4.68 1.72 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 1.00 0.00 0.00 51 P 0.00 4.74 0.00 2.24 2.25 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.19 0.00 52 S 7.85 4.48 0.00 3.37 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 7.78 4.49 0.00 2.54 2.59 0.00 0.00 6.86 6.97 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 54 Y 7.85 4.13 0.00 2.84 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 55 V 7.23 4.49 2.43 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 0.82 0.00 0.00 0.98 0.00 0.00 56 A 8.17 4.72 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 57 P 0.00 5.15 0.00 2.09 2.24 0.00 3.36 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.90 0.00 58 V 8.25 4.38 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 0.75 0.00 0.00 0.93 0.00 0.00 59 D 8.74 4.51 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00