NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.0939 8.0244 121.4511 60.7412 38.1686 174.9212 6 N 4.2063 8.7397 125.2417 52.2435 39.2560 172.1119 7 P 4.3740 0.0000 0.0000 62.6376 32.5940 175.2178 8 L 4.7673 8.2491 121.4618 53.7378 44.8677 175.5493 9 H 4.5943 8.9039 113.2476 56.8921 26.6762 177.4491 10 A 4.0358 7.6263 124.8578 55.6148 18.2948 180.3943 11 Y 3.9871 7.9656 111.3954 60.0265 38.0194 176.5858 12 F 4.6607 7.8004 117.0983 57.8328 39.6539 175.6411 13 K 4.6365 7.4025 120.6076 54.6069 34.3006 175.8503 14 L 4.2379 8.1774 119.0079 54.2763 42.1970 175.4636 15 P 4.3215 0.0000 0.0000 63.0515 31.7516 175.9497 16 N 5.0090 8.5863 117.3951 52.4495 37.9134 174.0023 17 T 4.7108 7.5417 107.0386 60.2840 71.9348 173.1586 18 V 4.4582 8.1399 121.3099 61.2079 34.5684 174.8716 19 S 4.6645 8.5252 121.6032 56.6396 65.9829 173.2378 20 L 4.5466 8.4868 124.8814 53.4403 42.5421 176.3474 21 V 4.5390 7.9604 115.5213 59.8518 35.6807 174.5067 22 A 4.5084 7.8244 121.8095 51.7693 21.6326 175.6720 23 G 4.0654 8.0695 107.9520 45.4923 0.0000 172.5491 24 S 4.6216 8.7009 113.2135 57.2086 65.7225 173.2314 25 S 4.4589 7.9715 112.6578 57.9006 64.6399 174.7897 26 E 4.3673 8.5392 124.6981 55.5940 30.2077 175.7922 27 G 4.1262 7.7357 105.4163 45.0725 0.0000 174.7219 28 E 4.1743 8.8875 121.0129 58.4660 30.0247 177.6419 29 T 4.7583 7.3337 105.1369 58.2895 73.2754 172.8497 30 P 4.2411 0.0000 0.0000 65.9555 31.2953 178.7732 31 L 4.0151 7.8860 118.4314 58.2254 42.0120 178.5921 32 N 4.3921 8.3168 116.3339 56.0305 38.4117 177.3372 33 A 4.1795 8.3544 122.6124 54.8969 18.4304 179.4417 34 F 4.0709 8.5877 119.5111 61.5001 39.4519 176.7171 35 D 4.3724 8.6477 118.1426 57.4737 40.9269 178.5258 36 G 3.6433 8.5883 107.2957 47.1401 0.0000 175.5454 37 A 3.9275 8.0073 123.1117 54.8477 18.3879 179.7240 38 L 3.7545 7.7448 117.5687 57.8413 41.7526 179.7139 39 L 3.9358 8.0301 119.0979 57.8882 41.3465 179.1850 40 N 4.3179 8.1618 115.7909 56.2211 38.9329 176.1934 41 A 4.5969 7.1560 122.2692 52.0761 18.9556 178.1768 42 G 4.0059 7.9735 104.7824 45.1792 0.0000 173.8505 43 I 4.5275 7.3598 112.6321 60.3606 37.8453 177.2286 44 G 3.6709 8.2503 111.3809 48.5752 0.0000 174.8514 45 N 4.9452 8.0354 116.0595 52.8886 39.0361 174.3584 46 V 4.5445 7.4395 110.0636 59.4146 35.4866 174.6470 47 N 4.6971 8.5449 118.8007 52.3781 39.2669 174.9652 48 L 4.3538 8.4859 123.5583 53.6471 42.6732 176.2928 49 I 4.2167 8.0801 125.1455 59.0782 37.2405 175.2694 50 R 3.9582 8.5297 126.6518 56.2315 30.2887 175.7246 51 I 4.4704 8.2360 119.1867 59.2420 39.5412 175.7041 52 S 4.2647 8.4056 116.5806 58.5787 63.0197 173.6704 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 5 I 8.02 4.09 1.87 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 1.07 0.92 0.00 0.00 6 N 8.74 4.21 0.00 2.77 2.74 0.00 0.00 7.27 6.80 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 7 P 0.00 4.37 0.00 2.08 1.98 0.00 3.68 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 2.02 2.11 0.00 8 L 8.25 4.77 0.00 1.65 1.48 0.90 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.90 4.59 0.00 3.48 3.62 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.63 4.04 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 11 Y 7.97 3.99 0.00 2.64 2.77 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 12 F 7.80 4.66 0.00 3.31 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 13 K 7.40 4.64 0.00 1.91 1.79 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.64 7.81 14 L 8.18 4.24 0.00 1.61 1.59 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.32 0.00 2.02 1.96 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 16 N 8.59 5.01 0.00 2.72 2.80 0.00 0.00 5.85 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 17 T 7.54 4.71 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 1.17 0.00 0.00 18 V 8.14 4.46 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 0.86 0.00 0.00 0.92 0.00 0.00 19 S 8.53 4.66 0.00 3.83 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.49 4.55 0.00 1.62 1.60 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.96 4.54 2.22 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 0.71 0.00 0.00 0.91 0.00 0.00 22 A 7.82 4.51 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.07 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 0.00 0.00 0.00 24 S 8.70 4.62 0.00 3.93 3.78 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 25 S 7.97 4.46 0.00 3.86 3.84 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 26 E 8.54 4.37 0.00 2.00 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 2.28 2.24 0.00 27 G 7.74 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.89 4.17 0.00 1.98 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 29 T 7.33 4.76 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 1.22 0.00 0.00 30 P 0.00 4.24 0.00 2.17 2.15 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 31 L 7.89 4.02 0.00 1.75 1.68 0.92 0.67 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 32 N 8.32 4.39 0.00 3.00 2.87 0.00 0.00 6.87 7.12 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 33 A 8.35 4.18 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 34 F 8.59 4.07 0.00 3.20 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 35 D 8.65 4.37 0.00 3.01 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 36 G 8.59 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 37 A 8.01 3.93 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 38 L 7.74 3.75 0.00 1.68 1.58 -0.16 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.03 3.94 0.00 1.83 1.69 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.16 4.32 0.00 2.78 2.97 0.00 0.00 7.23 8.71 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 41 A 7.16 4.60 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 42 G 7.97 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 43 I 7.36 4.53 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 1.18 0.71 0.89 0.00 0.00 44 G 8.25 3.67 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 0.00 0.00 0.00 45 N 8.04 4.95 0.00 2.69 2.80 0.00 0.00 6.71 7.68 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 46 V 7.44 4.54 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 0.75 0.00 0.00 0.97 0.00 0.00 47 N 8.54 4.70 0.00 2.72 2.77 0.00 0.00 6.91 7.85 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 48 L 8.49 4.35 0.00 1.71 1.66 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.08 4.22 1.89 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 1.32 0.85 0.93 0.00 0.00 50 R 8.53 3.96 0.00 1.80 1.87 0.00 3.24 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 51 I 8.24 4.47 1.88 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 1.48 0.79 0.92 0.00 0.00 52 S 8.41 4.26 0.00 3.95 3.82 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 0.00 0.00 0.00