NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2372 8.2649 123.5414 51.6015 18.9699 175.1050 2 Y 4.2159 7.8339 117.9498 57.7310 38.7299 174.9856 3 L 4.6886 10.3107 126.3979 53.8361 45.4060 175.1904 4 K 5.8760 8.2103 117.6550 53.7721 36.8067 175.5132 5 W 5.3063 9.0225 120.8644 55.1318 33.2646 173.8749 6 I 5.0399 8.7155 124.5403 59.3956 40.0547 174.1303 7 C 4.8475 8.9049 130.5060 58.2040 30.8674 173.7487 8 I 3.9447 8.4511 127.4046 63.8364 37.9170 177.2955 9 T 4.0750 7.8982 116.4113 65.9546 68.5030 174.7440 10 C 4.5891 8.0825 112.5894 58.4095 31.7543 174.3977 11 G 4.2317 8.5037 109.3379 45.8883 0.0000 172.5299 12 H 5.0447 8.3903 119.1283 54.2911 31.9667 173.4120 13 I 4.9300 8.4179 126.3316 60.6181 38.8664 174.2334 14 Y 4.6155 9.3479 127.3067 55.9046 41.2063 173.7726 15 D 4.8264 7.7391 126.1430 52.3652 42.2610 176.3225 16 E 3.1885 8.5840 127.2412 59.1704 29.7570 178.7822 17 A 3.7464 7.3749 119.5159 51.0274 19.2047 177.1560 18 L 4.6104 7.7222 115.6768 55.6314 45.4711 175.3070 19 G 4.1564 7.5220 119.6439 45.1785 0.0000 172.9268 20 D 4.6482 8.6403 124.0981 53.8474 41.9352 176.0194 21 E 4.4548 8.6321 123.0975 57.1955 30.8219 177.8393 22 A 4.2079 8.0650 119.9222 55.0376 18.8077 178.9682 23 E 4.2357 9.2249 116.8553 60.2223 29.6836 177.6111 24 G 3.9601 8.3640 106.6990 45.8797 0.0000 175.2858 25 F 4.2544 8.1614 120.8048 56.0093 36.6789 175.1594 26 T 3.8344 7.9196 118.2492 61.1694 67.7734 172.1087 27 P 4.1658 0.0000 0.0000 66.0247 29.9356 174.5541 28 G 2.8984 7.4006 119.1988 46.1173 0.0000 172.5268 29 T 4.3152 7.1096 118.9632 61.1123 69.9538 174.8345 30 R 4.6785 8.2277 125.6386 54.9174 31.0959 177.8771 31 F 3.4277 9.2433 123.7044 61.0721 39.4191 176.8188 32 E 3.8333 8.4728 120.3196 59.3794 29.2370 177.2051 33 D 4.3818 7.7136 113.9147 55.1842 41.2606 176.3759 34 I 4.0374 6.9951 120.4303 59.2252 36.0919 174.7932 35 P 4.4249 0.0000 0.0000 62.3863 31.7109 177.0160 36 D 4.4272 8.5369 116.4240 56.9930 40.9849 176.7953 37 D 4.4202 8.1958 118.2078 56.4890 41.2242 176.3122 38 W 4.5498 7.6250 127.4501 56.3787 31.6576 174.8310 39 C 4.7459 6.9573 121.0915 56.7567 30.7470 172.2774 40 C 4.1240 7.8641 119.7631 58.2088 31.8636 173.1072 41 P 4.0619 0.0000 0.0000 64.4382 31.3700 176.2317 42 D 4.6491 7.9952 116.8972 54.4187 42.1215 174.7460 43 C 4.4817 6.8260 113.8184 57.4897 30.7610 173.4325 44 G 3.8085 7.6134 111.2733 46.3489 0.0000 172.9032 45 A 4.7680 7.8488 124.9062 49.9729 21.7942 176.2113 46 T 4.4638 7.9384 106.3914 61.2192 70.8785 174.4913 47 K 4.2409 8.1169 120.4100 58.6576 32.4809 179.3596 48 E 4.1515 8.2964 117.2261 59.6384 29.6888 177.6456 49 D 4.6059 7.9381 118.0283 56.3263 41.9656 175.7726 50 Y 5.0705 8.4368 117.0532 56.8299 39.5279 175.4460 51 V 4.8702 8.8164 115.9305 59.2140 36.4992 174.1287 52 L 3.7617 8.1963 123.7577 54.5376 42.6980 175.2998 53 Y 3.9405 8.1805 127.9839 57.3589 39.0699 175.4641 54 E 3.3872 8.9567 127.8718 56.1156 29.4936 173.7107 55 E 3.6416 8.3531 116.6349 57.1917 27.7828 174.1589 56 K 4.0410 7.6222 122.6182 56.6267 32.2686 175.6358 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 A 8.26 4.24 1.23 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 0.00 0.00 2 Y 7.83 4.22 0.00 3.15 2.89 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 0.00 0.00 0.00 3 L 10.31 4.69 0.00 1.98 1.57 1.00 0.43 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 K 8.21 5.88 0.00 1.63 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.28 7.81 5 W 9.02 5.31 0.00 2.66 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 6 I 8.72 5.04 2.24 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.43 1.11 0.00 0.00 7 C 8.90 4.85 0.00 1.71 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.45 3.94 1.88 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 0.92 1.00 0.00 0.00 9 T 7.90 4.08 4.15 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 0.00 0.00 1.21 0.00 0.00 10 C 8.08 4.59 0.00 2.99 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 11 G 8.50 4.23 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 0.00 0.00 0.00 12 H 8.39 5.04 0.00 3.25 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.42 4.93 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.74 0.82 0.00 0.00 14 Y 9.35 4.62 0.00 2.91 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 D 7.74 4.83 0.00 2.57 2.26 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 3.19 0.00 2.34 2.24 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 2.98 2.93 0.00 17 A 7.37 3.75 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 4.61 0.00 1.30 1.39 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.52 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.64 4.65 0.00 2.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.63 4.45 0.00 2.02 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 2.23 2.37 0.00 22 A 8.07 4.21 1.33 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 0.00 0.00 23 E 9.22 4.24 0.00 2.18 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 0.00 2.40 2.45 0.00 24 G 8.36 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 25 F 8.16 4.25 0.00 3.23 3.15 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 0.00 0.00 0.00 26 T 7.92 3.83 4.20 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 1.10 0.00 0.00 27 P 0.00 4.17 0.00 2.12 2.01 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 28 G 7.40 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 0.00 0.00 0.00 29 T 7.11 4.32 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 30 R 8.23 4.68 0.00 1.94 1.98 0.00 3.50 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 1.79 0.00 31 F 9.24 3.43 0.00 1.75 1.66 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 0.00 0.00 0.00 0.00 32 E 8.47 3.83 0.00 2.08 2.02 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 2.30 2.36 0.00 33 D 7.71 4.38 0.00 2.63 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.00 4.04 1.23 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.42 0.50 0.00 0.00 35 P 0.00 4.42 0.00 2.17 2.17 0.00 3.59 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 36 D 8.54 4.43 0.00 2.68 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 37 D 8.20 4.42 0.00 2.62 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 38 W 7.63 4.55 0.00 3.34 3.01 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 39 C 6.96 4.75 0.00 2.59 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.86 4.12 0.00 2.91 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 41 P 0.00 4.06 0.00 2.27 2.42 0.00 4.00 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 42 D 8.00 4.65 0.00 2.45 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 C 6.83 4.48 0.00 2.73 2.74 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 0.00 0.00 0.00 0.00 44 G 7.61 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.85 4.77 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.94 4.46 4.27 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 1.21 0.00 0.00 47 K 8.12 4.24 0.00 1.68 2.01 0.00 1.74 0.00 0.00 1.96 0.00 0.00 2.67 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 0.96 7.81 48 E 8.30 4.15 0.00 2.06 2.08 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 2.39 2.33 0.00 49 D 7.94 4.61 0.00 2.55 2.64 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 50 Y 8.44 5.07 0.00 3.54 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 51 V 8.82 4.87 2.14 0.00 0.00 0.00 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 1.06 0.00 0.00 52 L 8.20 3.76 0.00 1.11 1.25 0.35 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.18 3.94 0.00 3.08 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 54 E 8.96 3.39 0.00 2.28 1.96 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 2.15 2.15 0.00 55 E 8.35 3.64 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 56 K 7.62 4.04 0.00 1.66 1.60 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.31 7.81