NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1258 8.0093 120.7866 61.0420 39.1585 174.4963 2 T 4.4815 8.2200 115.7795 59.4689 71.3697 171.1243 3 A 4.6677 7.8999 124.6117 50.6851 23.4074 176.8762 4 K 4.4365 8.1931 118.3503 54.8917 34.1593 175.1605 5 P 4.2791 0.0000 0.0000 62.2858 31.8297 176.3256 6 A 4.0227 8.5224 123.2554 52.7794 18.5704 178.4019 7 K 4.1974 8.7499 122.8183 59.0093 32.6247 177.6662 8 T 4.5917 7.3344 107.4074 58.0676 68.3574 170.7585 9 P 4.1008 0.0000 0.0000 64.2935 32.1909 176.3191 10 T 4.5284 8.2146 119.4340 61.7374 68.8618 175.1851 11 S 4.3966 8.2453 122.1293 57.1058 65.1984 173.0128 12 P 4.1949 0.0000 0.0000 65.7472 31.0306 178.5972 13 K 3.8417 8.0753 117.6383 59.8630 32.0935 178.4656 14 E 4.0169 7.9602 118.7281 59.3544 29.3365 179.3926 15 Q 3.9585 8.2143 118.1209 58.6829 28.6722 178.3367 16 A 3.9151 8.3102 122.2528 55.3502 18.3624 179.7432 17 I 3.7262 7.7329 118.1891 64.5276 37.0992 179.0358 18 G 3.5870 8.0323 106.4800 47.4459 0.0000 175.4861 19 L 3.8587 8.3201 123.1750 58.0408 42.0750 179.3260 20 S 4.0028 8.2149 115.2494 61.6098 62.5773 176.8874 21 V 3.6390 7.9472 119.9298 66.2148 31.5667 177.8264 22 T 4.2047 8.3040 115.7123 66.8172 68.4028 176.3381 23 F 4.0967 8.8063 119.7494 60.9185 39.0564 177.8966 24 L 4.3802 8.3872 118.3859 57.5876 41.1185 179.5199 25 S 4.3351 8.0145 113.2938 60.6150 63.3335 176.0288 26 F 4.2708 8.3716 121.1846 59.9539 39.0220 177.7555 27 L 4.1299 8.6159 118.9979 57.5398 41.5265 179.3105 28 L 4.0497 7.9945 118.8592 57.4674 41.5627 177.8933 29 P 4.2987 0.0000 0.0000 65.5497 31.4096 178.4972 30 A 4.2002 7.6202 116.9743 55.1460 18.2609 179.7825 31 G 3.7152 8.4459 104.3512 47.8260 0.0000 175.6731 32 W 4.1769 8.4303 130.2105 60.1528 31.2007 177.9734 33 V 4.0166 8.5829 118.5967 66.1642 31.1040 178.0329 34 L 4.0613 8.6009 119.2197 57.9911 41.2481 178.8947 35 Y 4.0189 8.4484 118.8489 59.8431 38.7914 176.5613 36 H 4.3756 7.4141 115.1338 55.2305 29.0061 176.1416 37 L 3.8827 7.1920 123.7563 57.9952 41.4039 179.0344 38 D 4.1976 7.6448 117.1485 57.4439 41.1028 177.8832 39 N 4.3675 7.7243 114.6434 55.6680 38.4970 176.4921 40 Y 4.5847 6.9349 117.6626 60.6521 38.4522 177.2078 41 K 4.2003 8.0686 118.4297 58.2674 33.3373 177.7247 42 K 4.4533 7.1198 121.1449 53.6389 31.4619 175.9338 43 S 4.2891 8.0066 118.3987 58.7251 63.7156 175.5458 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 I 8.01 4.13 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 1.47 1.35 0.91 0.00 0.00 2 T 8.22 4.48 4.24 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 1.21 0.00 0.00 3 A 7.90 4.67 1.21 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 0.00 0.00 4 K 8.19 4.44 0.00 1.87 1.81 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.45 7.81 5 P 0.00 4.28 0.00 2.06 2.04 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 6 A 8.52 4.02 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 7 K 8.75 4.20 0.00 1.76 1.89 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.43 7.81 8 T 7.33 4.59 4.24 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 1.21 0.00 0.00 9 P 0.00 4.10 0.00 2.05 2.05 0.00 3.64 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 2.03 2.25 0.00 10 T 8.21 4.53 4.24 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 1.21 0.00 0.00 11 S 8.25 4.40 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 2.16 2.14 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 13 K 8.08 3.84 0.00 1.77 1.81 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.48 7.81 14 E 7.96 4.02 0.00 2.14 1.97 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 0.00 2.32 2.34 0.00 15 Q 8.21 3.96 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 16 A 8.31 3.92 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 17 I 7.73 3.73 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.71 0.91 0.00 0.00 18 G 8.03 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.32 3.86 0.00 1.69 1.63 0.67 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.21 4.00 0.00 4.02 3.88 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 21 V 7.95 3.64 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.03 0.00 0.00 22 T 8.30 4.20 4.61 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 1.42 0.00 0.00 23 F 8.81 4.10 0.00 3.11 3.12 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 0.00 24 L 8.39 4.38 0.00 1.98 1.80 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.01 4.34 0.00 4.03 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 26 F 8.37 4.27 0.00 3.25 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 27 L 8.62 4.13 0.00 1.74 1.78 1.00 0.63 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 28 L 7.99 4.05 0.00 1.82 1.75 0.95 1.09 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 29 P 0.00 4.30 0.00 2.18 2.08 0.00 3.81 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 2.19 2.12 0.00 30 A 7.62 4.20 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.45 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 32 W 8.43 4.18 0.00 3.38 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.58 4.02 2.29 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 1.20 0.00 0.00 1.32 0.00 0.00 34 L 8.60 4.06 0.00 2.06 1.76 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.45 4.02 0.00 2.90 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 36 H 7.41 4.38 0.00 2.41 2.21 0.00 5.88 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.19 3.88 0.00 1.75 1.66 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.64 4.20 0.00 2.60 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.72 4.37 0.00 2.46 2.79 0.00 0.00 6.90 7.46 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 40 Y 6.93 4.58 0.00 3.03 2.90 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 0.00 0.00 0.00 41 K 8.07 4.20 0.00 1.83 1.91 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.63 7.81 42 K 7.12 4.45 0.00 1.65 1.69 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.41 7.81 43 S 8.01 4.29 0.00 3.99 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