NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6096 8.3493 120.5319 54.3793 40.9674 174.4286 2 E 5.4916 7.7958 116.2540 57.1196 32.4771 176.3164 3 D 4.7362 8.3901 126.6121 54.8323 41.4454 177.4859 4 T 4.0496 8.1439 122.6500 64.7234 69.3471 173.0538 5 Y 4.4755 8.2868 121.0919 56.2592 41.7834 173.8272 6 Y 5.2048 8.2373 118.2768 56.2513 40.0227 175.3116 7 L 4.5268 8.6320 126.5329 53.0755 43.1499 175.4363 8 Q 4.1775 8.6730 128.4988 55.3432 29.0883 174.9746 9 V 4.3691 8.1937 125.1537 60.9104 33.8644 174.3502 10 R 4.2998 8.6528 127.2933 55.9104 31.5095 175.0367 11 G 3.9118 8.7868 113.7661 46.2301 0.0000 173.6346 12 R 3.9837 8.9095 124.4217 59.7607 30.1730 177.8743 13 E 3.9359 8.2865 118.3372 59.4120 29.6342 178.2026 14 N 4.3066 8.1286 116.3178 56.6718 39.1733 176.3524 15 F 4.4319 8.6541 122.4471 61.5095 39.4730 176.8889 16 E 3.7166 8.6014 118.4925 59.3930 29.1510 179.4168 17 I 3.6775 7.6223 119.4989 64.4835 37.1281 178.5914 18 L 4.0310 7.8605 119.5844 57.6332 41.4347 179.1495 19 M 3.8172 8.2725 118.5585 58.5705 32.1831 178.2056 20 K 3.8664 7.9946 119.7008 59.3897 32.2775 178.4815 21 L 4.3004 7.5951 121.8901 57.3175 41.9292 178.7115 22 K 3.9645 8.5657 120.1966 59.4231 31.9881 178.4391 23 E 3.9053 8.2195 119.8760 59.0956 29.5913 178.9065 24 S 4.0673 8.0168 114.2941 61.5204 62.8469 176.4974 25 L 3.9676 8.1896 121.9936 57.2978 41.8001 179.1128 26 E 4.1280 8.4042 118.6567 59.5201 29.4749 179.5176 27 L 4.0544 8.2651 119.1097 57.6162 41.4091 178.8585 28 M 4.2570 7.5975 117.0456 57.5605 32.1590 177.0201 29 E 4.3109 7.9609 115.9951 57.6796 30.4161 177.2120 30 L 4.5031 8.0826 119.5095 54.6590 41.2866 176.0515 31 V 4.0639 7.1102 120.3283 60.8839 32.7108 173.8891 32 P 4.1299 0.0000 0.0000 63.0614 32.3122 176.3137 33 Q 3.9749 8.9286 123.7329 59.0504 28.8417 177.0782 34 P 4.2489 0.0000 0.0000 65.8186 31.1128 177.9857 35 L 4.0379 7.8474 119.6376 57.7043 42.0439 178.8382 36 V 3.6928 7.8343 118.4291 65.7753 31.4508 177.4165 37 D 4.3494 8.3433 118.0277 57.4493 41.0444 178.1886 38 S 4.0817 7.9044 113.5530 61.5386 62.2895 175.5067 39 Y 4.0611 7.9181 121.7435 60.9306 38.5234 178.1764 40 R 3.5771 8.4561 119.2938 59.1191 29.9290 178.9434 41 Q 3.8402 7.8969 119.3607 59.2961 28.9368 178.0021 42 Q 3.9035 7.6640 119.0789 59.0282 29.0463 177.5735 43 Q 3.9572 7.8606 120.6439 58.3509 28.8862 177.4361 44 Q 4.0308 7.9179 120.1573 58.1974 29.0394 177.3192 45 L 4.1086 7.1822 121.4511 56.6135 42.4193 177.1667 46 L 4.3613 6.8497 113.6438 55.1311 43.2927 174.7401 47 Q 4.2681 8.6462 120.7571 56.3876 29.4129 176.0496 48 R 4.1026 7.7709 122.2224 56.4459 30.1101 176.2883 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 D 8.35 4.61 0.00 2.72 2.82 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 2 E 7.80 5.49 0.00 2.18 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 0.00 2.12 2.37 0.00 3 D 8.39 4.74 0.00 2.45 2.38 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 4 T 8.14 4.05 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 1.28 0.00 0.00 5 Y 8.29 4.48 0.00 2.95 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 6 Y 8.24 5.20 0.00 3.00 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 7 L 8.63 4.53 0.00 1.67 1.68 0.95 0.82 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 8 Q 8.67 4.18 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.45 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 9 V 8.19 4.37 2.28 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 1.16 0.00 0.00 1.04 0.00 0.00 10 R 8.65 4.30 0.00 1.79 1.79 0.00 3.44 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 11 G 8.79 3.91 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 0.00 0.00 0.00 12 R 8.91 3.98 0.00 1.98 2.00 0.00 3.42 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.85 0.00 13 E 8.29 3.94 0.00 2.09 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 2.40 2.40 0.00 14 N 8.13 4.31 0.00 2.84 3.19 0.00 0.00 6.94 7.74 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 15 F 8.65 4.43 0.00 3.13 3.23 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 0.00 16 E 8.60 3.72 0.00 2.11 1.93 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 2.59 2.50 0.00 17 I 7.62 3.68 1.98 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 1.52 1.41 0.91 0.00 0.00 18 L 7.86 4.03 0.00 1.77 1.74 1.09 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 19 M 8.27 3.82 0.00 1.62 1.44 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 20 K 7.99 3.87 0.00 1.85 1.89 0.00 1.54 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.46 7.81 21 L 7.60 4.30 0.00 1.74 1.78 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.57 3.96 0.00 1.81 2.03 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.64 7.81 23 E 8.22 3.91 0.00 2.06 2.06 0.00 0.00 0.00 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 2.29 0.00 24 S 8.02 4.07 0.00 4.07 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 25 L 8.19 3.97 0.00 1.71 1.78 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.40 4.13 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 27 L 8.27 4.05 0.00 1.76 1.69 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 28 M 7.60 4.26 0.00 1.98 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 29 E 7.96 4.31 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 30 L 8.08 4.50 0.00 1.75 1.80 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.11 4.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.94 0.00 0.00 32 P 0.00 4.13 0.00 2.19 2.02 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 33 Q 8.93 3.97 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 34 P 0.00 4.25 0.00 2.31 2.31 0.00 3.62 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 2.08 2.03 0.00 35 L 7.85 4.04 0.00 1.79 1.90 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.83 3.69 2.25 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 1.05 0.00 0.00 0.98 0.00 0.00 37 D 8.34 4.35 0.00 2.77 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 38 S 7.90 4.08 0.00 3.90 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 39 Y 7.92 4.06 0.00 3.10 3.13 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 40 R 8.46 3.58 0.00 2.06 1.94 0.00 3.23 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.02 0.00 41 Q 7.90 3.84 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 42 Q 7.66 3.90 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 43 Q 7.86 3.96 0.00 1.41 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 44 Q 7.92 4.03 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 45 L 7.18 4.11 0.00 1.57 1.84 0.90 1.17 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 46 L 6.85 4.36 0.00 1.75 1.56 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.65 4.27 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.17 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 48 R 7.77 4.10 0.00 1.79 1.84 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00