NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9413 8.3393 109.7326 44.6361 0.0000 173.5749 2 P 4.4435 0.0000 0.0000 61.9580 32.1443 174.9509 3 L 4.3250 9.0821 120.6851 55.1644 44.8068 178.0924 4 G 3.9603 8.7573 105.0217 44.7846 0.0000 175.7221 5 S 4.2708 9.2026 119.6616 56.5909 64.7672 172.9502 6 Y 4.9318 7.0392 122.6937 54.6065 40.1106 174.4081 7 E 3.9995 8.6098 122.3090 58.2286 30.3562 176.4662 8 T 4.3506 7.4230 115.5881 60.7039 68.9594 174.4305 9 D 4.4575 8.3813 127.0501 54.5669 41.9291 174.6936 10 H 4.8193 8.0016 119.2839 53.8749 31.4198 172.7677 11 Q 4.2622 8.3839 117.9836 56.6840 28.8139 175.3645 12 D 4.9532 8.6130 116.2233 53.7186 41.8443 174.8998 13 Y 4.8865 7.4440 113.0593 54.5015 41.3208 173.8881 14 C 4.2227 9.0909 122.8795 59.2329 31.9888 174.3061 15 E 4.0210 8.5993 125.1004 57.7688 29.8679 177.8184 16 V 4.0606 7.8728 118.7364 65.1288 32.2668 176.3772 17 C 4.3869 8.0984 114.1338 59.6768 28.6566 173.4637 18 Q 4.1207 8.4967 117.5237 56.4538 26.2881 173.3334 19 Q 4.8175 7.9017 113.9507 54.8165 33.9245 174.5581 20 G 4.5921 7.7477 115.9800 46.0291 0.0000 174.0571 21 G 4.0323 8.6060 112.7412 45.2806 0.0000 175.5516 22 E 4.2850 8.5827 120.7529 54.8771 28.0834 175.4184 23 I 4.1446 7.0568 112.6771 59.9452 40.1858 175.4275 24 I 4.1429 8.6730 122.2608 59.3232 39.6439 174.7491 25 L 4.7457 8.0193 126.2581 52.6990 42.9612 175.9205 26 C 4.7221 8.4438 125.0975 60.0845 32.3838 174.4102 27 D 4.6520 9.7981 125.1920 55.1972 39.6841 177.5675 28 T 4.2569 7.5611 108.0982 63.2742 70.8375 174.4996 29 C 4.5152 7.7034 119.0691 57.9722 29.2797 171.8190 30 P 4.6685 0.0000 0.0000 63.2619 30.4414 176.9140 31 R 4.3304 7.5957 117.2538 55.8685 32.0785 175.9519 32 A 4.5805 8.1220 122.3257 51.4882 22.6230 175.0768 33 Y 4.8979 8.4167 119.4118 56.5118 42.1367 174.3306 34 H 4.6809 8.6910 117.8534 55.5366 29.8927 176.4802 35 M 4.1871 8.5085 119.6730 58.9722 31.7539 178.6580 36 V 3.6326 7.6553 111.4584 64.4045 31.8895 177.8090 37 C 4.3112 7.9903 115.0954 61.9863 28.1458 175.7723 38 L 4.0109 7.1378 119.1143 55.1907 41.7473 176.8734 39 D 4.2763 7.7927 114.6103 52.7634 44.6017 174.8211 40 P 4.3284 0.0000 0.0000 65.4423 31.4526 176.9877 41 D 4.3116 8.5195 118.1844 56.2054 41.3285 175.5892 42 M 4.2728 7.8551 118.9253 55.3883 31.4397 174.9532 43 E 4.4835 8.4977 123.8758 56.0128 31.7352 176.0413 44 K 3.9294 8.1241 120.3976 56.0762 32.2042 176.0799 45 A 4.0257 8.4678 130.1092 51.3477 18.8559 175.4132 46 P 4.4340 0.0000 0.0000 62.8185 30.2785 175.8961 47 E 4.4666 8.6422 124.7293 55.1408 31.3110 178.1949 48 G 3.6541 9.2949 118.2646 46.2098 0.0000 174.0405 49 K 4.3011 9.2418 129.6250 55.5501 33.1993 175.6960 50 W 4.7597 8.8407 135.0000 55.7318 33.2924 173.7565 51 S 4.8702 8.1571 123.8284 56.4204 64.0830 174.4254 52 C 3.1801 8.1819 118.8027 57.5948 29.6615 173.0599 53 P 4.2793 0.0000 0.0000 64.8123 31.3824 177.8744 54 H 4.2892 8.1022 117.7286 58.5605 29.7942 176.3689 55 C 3.9707 7.7064 118.8729 63.0254 27.6892 176.1043 56 E 4.0338 8.0738 117.8597 58.9262 28.9865 178.5912 57 K 4.1585 7.7613 118.1936 58.1833 32.4350 177.4168 58 E 4.2892 8.0024 116.9118 56.5287 29.7402 176.7155 59 G 3.9776 7.3364 107.1884 44.6823 0.0000 173.9502 60 I 4.2108 7.9055 120.1713 60.7207 36.9342 176.3893 61 Q 4.2039 7.7606 123.3314 56.1325 28.7563 176.3751 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 G 8.34 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 0.00 0.00 0.00 2 P 0.00 4.44 0.00 2.41 2.21 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 3 L 9.08 4.32 0.00 1.87 2.03 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.76 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 0.00 0.00 0.00 5 S 9.20 4.27 0.00 3.78 3.69 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 6 Y 7.04 4.93 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.61 4.00 0.00 2.01 2.01 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 2.35 2.41 0.00 8 T 7.42 4.35 4.39 0.00 0.00 0.00 0.00 0.00 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 9 D 8.38 4.46 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.00 4.82 0.00 3.09 3.14 0.00 5.78 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.38 4.26 0.00 2.37 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.19 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 12 D 8.61 4.95 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.44 4.89 0.00 2.96 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 14 C 9.09 4.22 0.00 2.86 2.96 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 15 E 8.60 4.02 0.00 2.05 1.78 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 2.29 2.34 0.00 16 V 7.87 4.06 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 0.87 0.00 0.00 1.08 0.00 0.00 17 C 8.10 4.39 0.00 3.15 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 18 Q 8.50 4.12 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 19 Q 7.90 4.82 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 20 G 7.75 4.59 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 21 G 8.61 4.03 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 0.00 0.00 0.00 22 E 8.58 4.28 0.00 1.97 1.94 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 2.28 2.32 0.00 23 I 7.06 4.14 1.71 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.54 0.66 0.00 0.00 24 I 8.67 4.14 0.69 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.21 -0.78 0.00 0.00 25 L 8.02 4.75 0.00 1.17 0.78 0.59 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.44 4.72 0.00 2.94 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 27 D 9.80 4.65 0.00 2.99 3.25 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 0.00 28 T 7.56 4.26 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 29 C 7.70 4.52 0.00 3.00 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 30 P 0.00 4.67 0.00 2.00 2.04 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 31 R 7.60 4.33 0.00 1.63 1.07 0.00 3.11 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.39 0.00 32 A 8.12 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 8.42 4.90 0.00 2.99 2.96 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 34 H 8.69 4.68 0.00 3.27 3.26 0.00 5.81 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 M 8.51 4.19 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.84 0.00 36 V 7.66 3.63 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 0.82 0.00 0.00 0.91 0.00 0.00 37 C 7.99 4.31 0.00 2.95 3.02 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 0.00 0.00 0.00 0.00 38 L 7.14 4.01 0.00 1.86 1.63 1.18 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.79 4.28 0.00 2.57 2.46 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 40 P 0.00 4.33 0.00 2.21 2.17 0.00 3.80 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 1.98 1.95 0.00 41 D 8.52 4.31 0.00 2.62 3.05 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 42 M 7.86 4.27 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 43 E 8.50 4.48 0.00 2.09 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 2.35 2.27 0.00 44 K 8.12 3.93 0.00 1.80 1.90 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.43 7.81 45 A 8.47 4.03 1.25 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 0.00 0.00 0.00 46 P 0.00 4.43 0.00 1.91 1.04 0.00 3.61 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.49 0.00 47 E 8.64 4.47 0.00 2.00 1.98 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 2.23 2.51 0.00 48 G 9.29 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.24 4.30 0.00 1.82 1.83 0.00 1.96 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.54 7.81 50 W 8.84 4.76 0.00 3.44 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.16 4.87 0.00 3.56 3.61 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 52 C 8.18 3.18 0.00 3.25 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 1.97 2.06 0.00 3.59 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 54 H 8.10 4.29 0.00 3.28 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 C 7.71 3.97 0.00 3.24 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 56 E 8.07 4.03 0.00 2.19 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 0.00 2.30 2.41 0.00 57 K 7.76 4.16 0.00 1.88 1.86 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.40 7.81 58 E 8.00 4.29 0.00 2.10 1.99 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 2.59 2.41 0.00 59 G 7.34 3.98 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 0.00 0.00 0.00 60 I 7.91 4.21 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 1.41 0.61 0.91 0.00 0.00 61 Q 7.76 4.20 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.64 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00