NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.7928 8.3544 109.7271 45.4695 0.0000 173.8871 0 S 4.3257 8.2661 118.0785 56.6377 64.5062 169.8340 1 E 4.4336 8.5343 119.1818 55.0886 31.3350 175.7047 2 Q 4.2482 8.5541 121.9515 57.0744 29.8809 176.0540 3 T 4.5459 9.1305 114.4079 62.7162 71.6872 173.3775 4 H 5.5913 8.0762 117.0165 54.1423 34.2867 172.1593 5 R 5.0492 9.0302 118.7073 54.4518 33.4770 174.1196 6 A 4.6108 8.8713 128.6165 52.1918 19.0762 177.6973 7 I 4.1387 8.7278 114.5306 60.5292 39.2859 175.6577 8 F 4.9645 7.5568 120.0705 55.2392 42.6560 174.5425 9 R 4.2982 8.6677 122.2984 56.4564 30.9974 175.5384 10 F 5.1499 9.4245 127.8658 56.7969 42.6242 173.3420 11 V 4.3273 8.1405 126.8891 60.2344 32.4769 173.7504 12 P 4.2294 0.0000 0.0000 63.0451 31.6811 176.4924 13 R 4.4999 9.3491 118.8490 55.7575 32.4529 175.5621 14 H 4.9974 7.9768 114.5153 53.3641 32.0952 173.7553 15 E 3.8474 9.0735 124.4670 59.7563 29.5180 178.0694 16 D 4.6516 8.0479 115.2812 54.0467 39.9843 175.5322 17 E 5.0284 8.0488 120.0620 56.3673 30.6966 175.7171 18 L 4.7660 9.0119 125.3107 53.2314 43.5258 175.7815 19 E 4.4397 8.9890 128.0719 56.3690 30.4778 175.6993 20 L 5.0893 9.2229 125.9500 53.0060 45.8803 175.2557 21 E 4.9831 9.1023 121.1406 53.9838 33.2143 175.9383 22 V 3.6770 8.3202 122.2348 65.0092 31.8283 176.0295 23 D 4.7494 8.9928 125.9762 54.0055 39.4985 174.4120 24 D 4.4844 7.8484 120.5110 53.9479 41.8736 174.0305 25 P 4.8262 0.0000 0.0000 62.3349 32.3169 175.7011 26 L 4.9676 9.0706 123.7036 52.9075 46.0332 175.5514 27 L 4.8063 8.9033 125.2488 53.3019 43.3224 174.6967 28 V 4.3148 9.0430 126.6520 62.5567 31.1984 175.3945 29 E 4.3328 8.9757 128.7689 58.2957 30.5733 177.2305 30 L 4.4659 7.6157 120.7724 53.7295 45.7735 175.5253 31 Q 4.3054 8.5606 125.7140 53.6142 27.7005 175.1478 32 A 4.1855 8.3667 125.7544 51.7716 19.1364 178.6921 33 E 3.9728 8.5398 117.3312 58.0083 30.0774 177.1313 34 D 4.5968 7.8879 118.5881 53.2068 39.7963 175.6460 35 Y 3.6224 7.1950 114.3033 59.5403 35.9369 168.8568 36 W 4.8837 8.1828 117.9211 55.0509 32.9839 174.1046 37 Y 5.1758 8.4026 121.2699 56.3798 40.3841 174.4125 38 E 5.1630 9.0654 123.1099 54.9210 31.8938 175.1539 39 A 5.0467 9.4024 125.5510 51.3627 24.1680 173.4873 40 Y 5.1894 8.9314 119.9461 56.3170 41.2673 175.3510 41 N 4.2884 9.0258 126.1410 54.0740 41.3450 175.7330 43 R 3.1075 8.2535 113.8107 58.9148 31.2158 177.2162 44 T 4.0676 8.0448 109.4569 61.7513 69.4095 175.9607 45 G 3.7741 8.5248 109.5917 44.6509 0.0000 173.2645 46 A 4.5640 7.4997 122.5697 51.1427 19.9601 176.9278 47 R 5.2564 8.6869 117.6254 53.9879 33.8254 176.3598 48 G 4.0498 7.5609 106.7624 46.2559 0.0000 171.7441 49 V 5.7540 8.0008 111.7309 59.2388 35.2471 175.0667 50 F 5.2255 8.1713 115.6221 54.9690 41.5924 171.5138 51 P 3.3736 0.0000 0.0000 62.1132 31.3183 177.1898 52 A 2.5800 8.0536 128.2641 55.2400 18.1516 178.5910 53 Y 4.3912 7.4362 109.1912 59.3503 38.1289 175.6774 54 Y 4.8248 8.3540 117.8453 58.3616 38.3806 174.5372 55 A 5.3674 7.8949 121.1224 50.2265 22.7311 175.6557 56 I 4.8774 8.6518 112.8054 58.6753 41.0963 175.0049 57 E 4.4727 8.8719 121.4194 56.6188 30.5371 175.8316 58 V 4.3395 7.7486 113.2637 59.4806 35.2824 175.2595 59 T 3.2625 8.1399 114.8939 64.7446 65.0891 172.4603 60 K 4.1239 7.8035 125.2987 56.7394 32.2367 176.0726 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 G 8.35 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 0.00 0.00 0.00 0 S 8.27 4.33 0.00 3.92 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 1 E 8.53 4.43 0.00 1.99 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 0.00 2.29 2.36 0.00 2 Q 8.55 4.25 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 3 T 9.13 4.55 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 1.29 0.00 0.00 4 H 8.08 5.59 0.00 3.23 3.42 0.00 5.75 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 9.03 5.05 0.00 1.82 1.70 0.00 3.06 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.72 0.00 6 A 8.87 4.61 1.17 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 0.00 0.00 7 I 8.73 4.14 1.31 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.21 0.76 0.00 0.00 8 F 7.56 4.96 0.00 1.62 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 0.00 0.00 0.00 9 R 8.67 4.30 0.00 1.85 1.89 0.00 3.46 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 10 F 9.42 5.15 0.00 3.46 3.03 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 11 V 8.14 4.33 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 0.79 0.00 0.00 0.92 0.00 0.00 12 P 0.00 4.23 0.00 2.01 1.94 0.00 3.55 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 13 R 9.35 4.50 0.00 1.50 1.67 0.00 3.10 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 14 H 7.98 5.00 0.00 3.25 3.16 0.00 5.86 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.07 3.85 0.00 1.93 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 2.30 0.00 16 D 8.05 4.65 0.00 2.93 2.87 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 17 E 8.05 5.03 0.00 2.14 2.32 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 2.77 2.44 0.00 18 L 9.01 4.77 0.00 1.81 1.93 1.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.99 4.44 0.00 2.02 1.86 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 2.30 2.55 0.00 20 L 9.22 5.09 0.00 1.74 1.49 0.56 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.10 4.98 0.00 2.19 1.79 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 2.21 2.35 0.00 22 V 8.32 3.68 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 0.71 0.00 0.00 0.94 0.00 0.00 23 D 8.99 4.75 0.00 2.82 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 24 D 7.85 4.48 0.00 2.62 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.83 0.00 1.93 1.98 0.00 3.57 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 2.00 2.10 0.00 26 L 9.07 4.97 0.00 1.65 1.64 0.61 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.90 4.81 0.00 1.92 1.82 1.01 0.76 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 28 V 9.04 4.31 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 0.39 0.00 0.00 0.91 0.00 0.00 29 E 8.98 4.33 0.00 1.93 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 2.47 0.00 30 L 7.62 4.47 0.00 1.68 1.53 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.56 4.31 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.87 0.00 32 A 8.37 4.19 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 33 E 8.54 3.97 0.00 1.93 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 2.22 2.29 0.00 34 D 7.89 4.60 0.00 2.93 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.20 3.62 0.00 3.24 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 36 W 8.18 4.88 0.00 3.27 2.96 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 0.00 0.00 0.00 0.00 37 Y 8.40 5.18 0.00 1.43 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 0.00 0.00 0.00 0.00 38 E 9.07 5.16 0.00 1.91 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 2.27 2.26 0.00 39 A 9.40 5.05 1.56 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 40 Y 8.93 5.19 0.00 3.09 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 41 N 9.03 4.29 0.00 2.69 2.52 0.00 0.00 6.64 7.83 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 43 R 8.25 3.11 0.00 1.84 2.19 0.00 3.26 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 44 T 8.04 4.07 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 1.18 0.00 0.00 45 G 8.52 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.50 4.56 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.69 5.26 0.00 1.88 1.92 0.00 3.40 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 48 G 7.56 4.05 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 49 V 8.00 5.75 2.32 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 0.82 0.00 0.00 1.01 0.00 0.00 50 F 8.17 5.23 0.00 2.71 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 3.37 0.00 0.98 1.09 0.00 2.34 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.69 0.00 52 A 8.05 2.58 0.32 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 53 Y 7.44 4.39 0.00 3.02 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 54 Y 8.35 4.82 0.00 3.28 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 55 A 7.89 5.37 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.65 4.88 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.73 0.92 0.00 0.00 57 E 8.87 4.47 0.00 1.91 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 2.29 2.33 0.00 58 V 7.75 4.34 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 0.71 0.00 0.00 0.96 0.00 0.00 59 T 8.14 3.26 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 60 K 7.80 4.12 0.00 1.69 1.69 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.50 7.81