NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 A 4.2740 8.2644 123.5844 51.6974 20.7155 176.8955 9 V 3.9739 7.6373 115.0985 60.0346 32.4987 173.2884 10 T 4.7649 9.1619 117.6891 60.0506 72.2012 172.9338 11 C 5.1191 8.7253 119.3761 55.5516 44.3019 173.6103 12 C 5.1462 8.4819 117.6497 55.8811 41.2949 173.7605 13 Y 4.2365 8.7533 120.0788 57.7784 39.5098 175.4173 14 N 4.7527 7.7379 115.8359 51.7173 42.7586 173.5668 15 F 5.3250 8.1424 120.2614 55.8797 41.3807 175.4836 16 T 4.2499 8.9032 119.3159 62.3031 67.6304 174.2903 17 N 4.9309 8.8628 124.4664 53.3542 39.2442 174.7277 18 R 4.3419 7.5840 118.5255 53.8615 31.5505 176.4290 19 K 2.0000 7.7293 123.6927 55.3688 32.7920 175.6721 20 I 4.2273 6.3321 123.1182 58.7645 39.9839 175.6706 21 S 4.0292 8.3261 118.9537 58.3206 62.4349 175.3325 22 V 3.6935 8.3861 121.5308 63.8944 31.3879 176.8760 23 Q 4.2835 7.5616 117.4347 56.8437 28.9887 176.4573 24 R 4.5025 8.7145 116.4652 55.4342 31.5512 174.6581 25 L 4.8861 7.7734 118.5798 52.8561 41.4350 175.6466 26 A 4.2107 8.3468 129.1311 52.3797 17.7978 179.8355 27 S 5.2447 7.6822 112.3281 57.1898 67.4728 172.6495 28 Y 5.1435 7.7592 113.1608 56.7946 39.8578 173.3551 29 R 4.4438 8.6535 118.5100 54.5299 33.6677 173.8724 30 R 4.9841 8.1914 117.6333 54.3369 32.4383 176.4624 31 I 4.0946 8.6148 124.2622 61.7545 37.1246 176.3353 32 T 4.5130 8.4412 113.6109 61.1951 70.3361 174.4506 33 S 4.2098 7.9710 117.1368 58.4043 62.8411 174.7388 34 S 4.3696 8.4638 120.0958 60.2404 63.3605 175.2040 35 K 4.1876 7.8991 119.3028 57.5932 32.0807 176.0530 36 C 4.7471 7.4560 116.1655 54.8060 41.5879 172.0716 37 P 4.2249 0.0000 0.0000 63.6472 31.8356 176.2457 38 K 4.5726 7.4130 116.9311 53.9399 34.8219 175.0935 39 E 4.1258 8.7856 123.4764 55.9969 30.2575 175.6349 40 A 4.8295 8.3016 126.3899 50.6109 23.5125 174.3804 41 V 4.4576 8.1659 119.8023 61.3462 33.6323 174.6878 42 I 4.8696 8.8458 129.7169 59.8893 38.8704 174.7799 43 F 5.0980 9.1066 127.0232 56.4968 40.7693 174.7752 44 K 5.0677 9.1570 125.3528 54.9752 34.3351 176.5063 45 T 4.9682 9.2030 119.0499 60.7041 70.3350 175.0871 46 I 3.9836 8.2267 113.9413 62.5795 37.7740 176.6988 47 V 4.1125 7.7156 119.7269 62.2453 31.3275 174.7865 48 A 3.8166 7.7383 118.0006 52.6692 16.5989 177.7983 49 K 4.7258 8.0496 118.0646 56.3435 34.6802 175.6048 50 E 5.8036 8.6917 123.2482 54.7600 31.6004 175.5771 51 I 4.8577 8.1481 121.9540 59.9193 42.1434 174.9203 52 C 5.1254 9.0831 123.3563 56.9050 35.8601 172.5380 53 A 5.2531 9.1364 124.1273 50.2885 23.5281 173.8512 54 D 3.8899 7.9110 118.1179 51.6463 42.4411 175.1239 55 P 4.0241 0.0000 0.0000 65.5681 31.6368 177.6993 56 K 3.8969 7.9777 116.4545 59.5135 32.4724 178.4788 57 Q 4.0366 7.6554 118.0095 55.3989 30.0537 177.3082 58 K 3.8943 8.6503 125.6291 59.3538 32.4170 179.0682 59 W 4.4406 8.1225 116.5284 59.3230 27.7963 178.5009 60 V 2.6701 6.3852 117.8969 65.5096 31.2108 177.4992 61 Q 3.9812 7.5279 117.3531 59.2000 28.6328 178.5771 62 D 4.7297 8.4437 121.2979 57.0594 40.7947 179.1617 63 S 4.2825 8.3094 114.9288 60.9611 62.5073 176.2895 64 I 3.5155 7.8574 122.8180 63.2435 36.9550 177.5724 65 D 4.4097 8.0705 119.7277 56.7247 40.4362 178.2905 66 H 4.2306 8.0429 117.9198 59.2364 30.2934 176.9576 67 L 4.2236 7.5780 118.9515 57.2241 41.6400 178.7332 68 D 4.7500 7.8303 118.7616 56.2883 41.1151 178.3865 69 K 4.2110 7.7313 116.5931 56.8612 31.7266 177.4181 70 Q 4.6083 8.0446 114.5723 55.7569 29.6020 175.3741 71 T 4.1892 7.6700 114.0876 62.3060 68.7469 173.4304 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 8 A 8.26 4.27 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 V 7.64 3.97 2.10 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 0.85 0.00 0.00 0.94 0.00 0.00 10 T 9.16 4.76 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 1.24 0.00 0.00 11 C 8.73 5.12 0.00 2.85 2.79 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 12 C 8.48 5.15 0.00 2.99 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 13 Y 8.75 4.24 0.00 2.79 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 14 N 7.74 4.75 0.00 2.66 2.65 0.00 0.00 6.86 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.14 5.33 0.00 3.15 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 16 T 8.90 4.25 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 17 N 8.86 4.93 0.00 2.82 2.92 0.00 0.00 6.96 7.66 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 18 R 7.58 4.34 0.00 1.76 1.71 0.00 3.15 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 19 K 7.73 2.00 0.00 0.79 1.07 0.00 1.50 0.00 0.00 1.46 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.81 0.54 7.81 20 I 6.33 4.23 1.62 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.51 0.81 0.00 0.00 21 S 8.33 4.03 0.00 3.76 3.68 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 22 V 8.39 3.69 1.95 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 0.71 0.00 0.00 0.82 0.00 0.00 23 Q 7.56 4.28 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 24 R 8.71 4.50 0.00 1.74 1.86 0.00 3.07 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 25 L 7.77 4.89 0.00 1.66 1.77 0.50 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.35 4.21 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 27 S 7.68 5.24 0.00 3.87 4.04 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 28 Y 7.76 5.14 0.00 2.44 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 29 R 8.65 4.44 0.00 1.72 1.88 0.00 2.70 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 30 R 8.19 4.98 0.00 1.66 1.84 0.00 3.20 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 31 I 8.61 4.09 2.02 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 1.42 0.76 0.90 0.00 0.00 32 T 8.44 4.51 4.22 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 1.22 0.00 0.00 33 S 7.97 4.21 0.00 3.87 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 34 S 8.46 4.37 0.00 4.01 3.96 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 35 K 7.90 4.19 0.00 1.79 1.91 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.41 7.81 36 C 7.46 4.75 0.00 3.13 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 37 P 0.00 4.22 0.00 2.03 2.06 0.00 3.36 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 38 K 7.41 4.57 0.00 1.75 1.78 0.00 1.54 0.00 0.00 1.20 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.19 7.81 39 E 8.79 4.13 0.00 1.93 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 2.25 2.28 0.00 40 A 8.30 4.83 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 41 V 8.17 4.46 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 0.30 0.00 0.00 0.73 0.00 0.00 42 I 8.85 4.87 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.52 1.02 0.00 0.00 43 F 9.11 5.10 0.00 3.14 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 44 K 9.16 5.07 0.00 1.88 1.89 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.41 7.81 45 T 9.20 4.97 4.38 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 1.30 0.00 0.00 46 I 8.23 3.98 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 1.20 0.61 0.96 0.00 0.00 47 V 7.72 4.11 2.10 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 0.84 0.00 0.00 0.94 0.00 0.00 48 A 7.74 3.82 1.37 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 49 K 8.05 4.73 0.00 1.76 1.74 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.61 7.81 50 E 8.69 5.80 0.00 1.91 1.95 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 2.31 2.22 0.00 51 I 8.15 4.86 2.09 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.83 1.10 0.00 0.00 52 C 9.08 5.13 0.00 3.19 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 53 A 9.14 5.25 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 54 D 7.91 3.89 0.00 2.08 2.21 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 0.00 55 P 0.00 4.02 0.00 1.92 1.96 0.00 3.37 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 56 K 7.98 3.90 0.00 1.73 1.83 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.45 7.81 57 Q 7.66 4.04 0.00 1.97 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 58 K 8.65 3.89 0.00 1.82 1.84 0.00 1.73 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.48 7.81 59 W 8.12 4.44 0.00 3.57 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 60 V 6.39 2.67 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 -0.58 0.00 0.00 61 Q 7.53 3.98 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 62 D 8.44 4.73 0.00 2.72 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.31 4.28 0.00 4.20 3.94 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 64 I 7.86 3.52 1.89 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.85 0.67 0.00 0.00 65 D 8.07 4.41 0.00 2.87 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 66 H 8.04 4.23 0.00 3.14 3.50 0.00 5.93 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.58 4.22 0.00 1.75 2.06 1.30 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.83 4.75 0.00 2.91 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.73 4.21 0.00 1.88 1.82 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.38 7.81 70 Q 8.04 4.61 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.27 0.00 71 T 7.67 4.19 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 1.23 0.00 0.00