NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4866 8.3349 115.3051 57.6296 63.8435 173.2442 8 D 4.6377 8.4561 124.0179 52.9919 41.8549 174.5832 9 F 5.3697 8.9032 116.3231 55.3875 42.1462 173.6079 10 V 4.5217 9.0344 112.5658 59.5497 35.0497 174.8590 11 V 4.8195 8.6636 124.6240 61.3935 33.6899 174.3918 12 I 4.9187 9.2381 128.7340 59.3638 40.5408 174.1657 13 K 5.0469 9.2212 128.9491 54.1728 34.5277 175.0761 14 A 4.4014 8.7777 130.3799 52.4385 19.0294 177.4322 15 L 4.6824 9.0854 122.5092 54.6568 42.6235 175.9890 16 E 4.6898 7.7437 115.5735 54.5964 32.5143 174.4316 17 D 4.5324 8.3857 119.2145 55.7490 41.2858 176.7170 18 G 3.8598 8.9374 109.4442 46.2080 0.0000 174.1075 19 V 3.9463 7.6721 119.7565 62.7303 32.8651 174.5458 20 N 5.4412 9.1278 124.0461 51.4034 42.0354 173.3788 21 V 4.6129 8.7237 123.7084 61.1762 33.9393 174.2124 22 I 4.7077 8.8445 129.1160 59.3459 40.2014 174.6437 23 G 4.1911 8.8064 114.6072 44.7549 0.0000 172.4040 24 L 5.5626 8.6801 125.0003 52.8709 44.4040 176.1889 25 T 4.5267 8.5708 113.8273 61.7557 69.4900 174.2658 26 R 4.3855 7.6825 125.2409 56.6568 30.9893 174.8009 27 G 3.7375 8.8508 109.5071 44.0874 0.0000 172.8965 28 A 4.0911 8.6902 121.2306 54.8572 18.5846 178.1987 29 D 4.7578 7.7771 113.8004 53.7021 42.2339 176.1591 30 T 4.7643 8.2308 118.0091 62.0458 71.5783 173.2543 31 R 4.6408 8.7134 121.9091 54.4384 33.7402 174.1669 32 F 5.3279 8.5142 119.1361 57.9974 39.0155 175.2735 33 H 4.9472 9.0571 118.9487 56.2728 30.1656 174.2914 34 H 4.7112 7.6186 117.1364 55.1880 33.2597 172.0542 35 S 4.8199 8.3009 119.3904 56.4731 64.7385 172.3040 36 E 4.4860 9.2345 129.4928 54.5794 31.0269 174.6811 37 K 4.7346 8.6152 128.7132 55.9378 33.5654 175.6088 38 L 4.9696 9.0955 126.9187 53.1716 45.0095 176.0178 39 D 4.9716 9.0184 123.3370 52.1797 43.5602 175.9119 40 K 3.8873 8.6514 121.3305 58.6459 32.2683 176.9103 41 G 4.0084 9.1887 115.5378 45.1642 0.0000 173.4407 42 E 4.3646 8.0816 119.3184 56.0628 31.0423 175.9257 43 V 4.9783 8.2280 121.0339 61.0544 34.6598 174.2776 44 L 4.7740 9.2257 129.3786 53.2480 45.0727 174.8664 45 I 4.9769 8.5122 126.3352 59.6461 39.2309 174.7026 46 A 4.7143 9.1089 129.5210 50.0700 21.8405 175.3645 47 Q 4.7473 8.6615 121.0816 55.2151 30.2572 175.8345 48 F 4.7020 8.5519 120.6466 57.9010 38.6396 175.2036 49 T 4.7104 8.9437 111.3607 60.0774 71.9451 173.8833 50 E 4.0993 8.9721 121.1255 59.3499 29.7488 177.2777 51 H 4.5960 7.8260 112.1287 56.0330 30.0024 174.1514 52 T 5.1591 8.2036 116.6141 61.9309 71.3036 174.3164 53 S 5.0946 8.9662 120.2822 57.9844 64.8282 173.4383 54 A 5.0989 7.9482 121.5708 51.1267 22.6000 175.2224 55 I 4.9180 8.5830 121.1228 59.3209 40.6939 174.7081 56 K 4.5752 8.9473 128.1499 54.4614 34.8163 174.6813 57 V 4.8239 8.3648 126.3429 61.1359 33.8542 174.5309 58 R 4.5277 9.1251 127.0684 55.3742 33.0521 175.7352 59 G 4.1086 9.0325 109.3195 43.9043 0.0000 172.6328 60 K 4.2795 9.2265 120.8332 56.1691 33.0446 175.6678 61 A 5.1465 8.5429 127.6807 50.7519 23.4445 173.5043 62 Y 5.0416 9.1529 121.3715 55.9427 41.1813 174.5712 63 I 4.9819 8.4884 127.5259 59.5071 40.7243 174.4262 64 Q 5.0593 8.9768 125.8334 54.3630 31.8676 174.9261 65 T 4.8998 8.5775 113.1659 59.6130 72.2620 174.5138 66 R 3.7752 8.4972 120.2466 59.5007 30.0012 176.8857 67 H 4.5893 8.0241 113.0211 55.6455 29.6272 174.2712 68 G 3.7210 6.9963 105.9810 44.0734 0.0000 172.3252 69 V 4.5983 8.0907 120.1996 61.1077 33.9421 176.4996 70 I 4.4600 8.6316 126.9447 59.1904 40.9706 173.2663 71 E 4.9807 9.8330 130.2325 53.6498 31.8944 175.5189 72 S 4.6704 8.4028 120.7789 57.9516 64.6828 173.7494 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 7 S 8.33 4.49 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 8 D 8.46 4.64 0.00 2.92 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 9 F 8.90 5.37 0.00 3.07 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 10 V 9.03 4.52 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 0.57 0.00 0.00 0.86 0.00 0.00 11 V 8.66 4.82 2.17 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 1.16 0.00 0.00 1.21 0.00 0.00 12 I 9.24 4.92 1.87 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 1.09 0.48 0.92 0.00 0.00 13 K 9.22 5.05 0.00 1.86 1.82 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.37 7.81 14 A 8.78 4.40 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 15 L 9.09 4.68 0.00 1.63 1.72 1.00 0.85 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 16 E 7.74 4.69 0.00 2.02 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 2.18 2.33 0.00 17 D 8.39 4.53 0.00 2.69 2.72 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 18 G 8.94 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 19 V 7.67 3.95 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 0.88 0.00 0.00 0.98 0.00 0.00 20 N 9.13 5.44 0.00 2.63 2.58 0.00 0.00 6.42 8.54 0.00 0.00 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 V 8.72 4.61 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 0.71 0.00 0.00 0.90 0.00 0.00 22 I 8.84 4.71 1.47 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.44 -0.12 0.00 0.00 23 G 8.81 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.68 5.56 0.00 1.90 1.70 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.57 4.53 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 1.37 0.00 0.00 26 R 7.68 4.39 0.00 1.94 2.01 0.00 3.20 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.85 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 4.09 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 29 D 7.78 4.76 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.23 4.76 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 1.28 0.00 0.00 31 R 8.71 4.64 0.00 1.81 1.94 0.00 2.80 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 32 F 8.51 5.33 0.00 2.92 2.85 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 33 H 9.06 4.95 0.00 3.14 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.62 4.71 0.00 3.33 3.11 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.30 4.82 0.00 3.75 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.23 4.49 0.00 2.14 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 2.25 2.29 0.00 37 K 8.62 4.73 0.00 1.78 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.45 7.81 38 L 9.10 4.97 0.00 1.54 1.51 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.02 4.97 0.00 2.60 2.69 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 40 K 8.65 3.89 0.00 1.81 1.75 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.45 7.81 41 G 9.19 4.01 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 0.00 42 E 8.08 4.36 0.00 2.08 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 2.32 2.25 0.00 43 V 8.23 4.98 2.09 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 0.81 0.00 0.00 1.00 0.00 0.00 44 L 9.23 4.77 0.00 1.71 1.45 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.51 4.98 1.79 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 1.28 0.67 0.75 0.00 0.00 46 A 9.11 4.71 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 47 Q 8.66 4.75 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 48 F 8.55 4.70 0.00 3.02 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 49 T 8.94 4.71 4.30 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 1.30 0.00 0.00 50 E 8.97 4.10 0.00 1.95 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 2.09 2.29 0.00 51 H 7.83 4.60 0.00 3.23 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.20 5.16 4.34 0.00 0.00 0.00 0.00 0.00 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 53 S 8.97 5.09 0.00 3.81 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 54 A 7.95 5.10 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 55 I 8.58 4.92 1.79 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.60 0.86 0.00 0.00 56 K 8.95 4.58 0.00 1.72 1.39 0.00 1.62 0.00 0.00 1.40 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 1.32 7.81 57 V 8.36 4.82 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 0.86 0.00 0.00 0.89 0.00 0.00 58 R 9.13 4.53 0.00 1.71 1.76 0.00 3.11 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 59 G 9.03 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 0.00 0.00 0.00 0.00 60 K 9.23 4.28 0.00 1.86 1.72 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.54 5.15 1.24 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 0.00 0.00 0.00 62 Y 9.15 5.04 0.00 3.06 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 63 I 8.49 4.98 1.85 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 1.19 0.47 0.88 0.00 0.00 64 Q 8.98 5.06 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 65 T 8.58 4.90 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 1.16 0.00 0.00 66 R 8.50 3.78 0.00 1.62 1.79 0.00 3.20 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 67 H 8.02 4.59 0.00 3.17 3.28 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.00 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 0.00 0.00 0.00 69 V 8.09 4.60 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 0.41 0.00 0.00 0.87 0.00 0.00 70 I 8.63 4.46 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.15 0.84 0.00 0.00 71 E 9.83 4.98 0.00 2.25 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 2.27 2.47 0.00 72 S 8.40 4.67 0.00 4.00 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