NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.1966 8.1701 117.3741 63.2181 69.7951 173.5358 3 A 4.1615 8.3962 128.5103 51.3820 19.4575 174.7217 4 L 4.7450 8.3593 120.0778 52.7264 45.2183 175.4036 5 A 4.1058 8.3069 125.1294 51.5204 19.0674 177.3063 6 K 4.0232 8.4412 122.8612 55.5188 32.2156 175.3390 7 P 4.5757 0.0000 0.0000 61.3929 32.7123 175.2782 8 Q 4.0955 8.4120 119.8467 56.4773 29.0743 175.2091 9 M 4.6885 8.6528 122.8435 54.8512 32.7040 175.5117 10 R 4.6363 7.6707 117.8215 54.9440 33.3973 175.3754 11 G 4.2602 8.6359 105.9982 46.5622 0.0000 176.1210 12 L 3.9838 7.3837 121.2609 57.1862 41.5758 178.8215 13 L 3.9128 7.8529 119.6990 58.0967 42.1461 178.6408 14 A 3.9998 7.9555 120.3016 55.0941 18.3444 179.3724 15 R 3.8487 8.1553 117.2584 59.6415 30.1759 178.7678 16 R 3.9528 8.0146 118.5371 59.1519 29.9616 178.2342 17 L 3.9515 8.1662 120.2405 58.1391 42.2974 178.6241 18 R 3.8876 8.3080 119.0502 59.5644 30.0884 177.8572 19 F 3.9932 8.2404 120.0933 61.9921 39.3274 176.8616 20 H 4.4285 8.5552 115.2478 58.4224 28.5339 177.9462 21 I 3.7589 8.1944 122.5323 64.2927 36.9340 178.5334 22 V 3.7403 7.8048 119.0386 65.8814 31.3596 178.3792 23 G 3.4972 7.8390 104.9483 47.6263 0.0000 175.6239 24 A 4.0668 8.2584 123.2951 54.6784 18.3450 179.5973 25 F 4.1504 8.3297 119.3392 61.8403 39.5364 177.2372 26 M 3.8499 8.1462 118.3359 58.5006 31.7553 179.0300 27 V 3.6497 7.7829 118.1392 65.8294 31.6210 178.3811 28 S 4.1971 7.7893 114.7889 61.4565 62.6238 176.5641 29 L 4.0144 7.7018 121.8684 57.6971 41.3148 179.8318 30 G 3.5936 8.0567 105.7662 47.6648 0.0000 175.6163 31 F 4.3406 8.5263 122.8048 60.8289 39.3627 177.0452 32 A 3.8288 8.5461 120.9349 55.6065 17.9697 179.6325 33 T 3.7911 7.7751 112.6161 66.8094 68.7895 176.3379 34 F 4.3426 8.2428 122.4143 61.3945 39.4501 176.5308 35 Y 3.5789 8.4029 119.4675 60.2412 38.5103 178.3029 36 K 4.2578 8.1193 118.5235 55.8318 33.1146 177.3202 37 F 4.8446 7.4923 119.9934 59.7115 46.0263 175.4667 38 A 3.3912 7.6820 121.0756 53.1075 18.6576 177.2774 39 V 3.8085 7.1626 113.5550 63.5846 33.3959 177.2542 40 A 3.8708 7.3634 120.6320 55.3921 18.2535 179.3186 41 E 3.8835 7.8917 116.0193 59.1696 29.6190 179.2825 42 K 3.6990 7.3574 118.9536 59.4427 32.1445 178.8422 43 R 3.9124 7.8650 118.8053 59.4946 30.0937 178.6981 44 K 4.0615 8.0040 118.3544 59.2503 31.9047 179.3748 45 K 3.9741 8.4824 120.1454 59.2766 32.1770 178.6553 46 A 3.9152 8.1437 121.1746 55.5781 18.2619 179.3202 47 Y 3.7407 8.1790 114.8683 60.9070 37.8408 178.3130 48 A 4.1479 8.3544 121.7910 55.3304 18.3121 179.4494 49 D 4.3186 8.7311 117.2571 57.3612 40.9792 178.4198 50 F 4.0438 7.9501 119.8327 61.5953 39.5253 176.4160 51 Y 4.4565 7.9101 113.1077 59.0569 37.9096 177.2167 52 R 4.1974 7.5908 120.3461 58.8280 30.6148 177.7732 53 N 5.0844 7.8725 113.3922 52.7201 39.6493 174.0836 54 Y 4.0952 8.0874 118.8881 57.1886 39.9461 174.4051 55 D 4.5242 7.7765 126.0997 52.1033 42.7130 176.4406 56 S 3.7741 7.8913 123.5463 61.4412 63.0047 176.1960 57 M 4.1326 7.9291 121.9365 57.9810 31.8111 178.3702 58 K 3.9181 8.2907 119.9070 59.4366 32.3507 178.3782 59 D 4.3307 8.1020 118.3418 57.3085 41.1349 177.9690 60 F 4.3527 8.6190 121.4960 61.2937 39.3247 176.5062 61 E 3.6613 8.5799 119.2566 59.4059 29.4719 178.7005 62 E 3.9060 8.1105 118.4106 59.6743 29.3757 179.3180 63 M 3.8904 7.9018 118.7119 58.1599 31.9107 178.7656 64 R 3.9792 7.9975 119.1793 59.5431 30.0527 178.8059 65 K 3.9155 8.0105 116.7880 59.2015 32.0627 178.7450 66 A 4.1599 7.6334 119.6548 52.5250 18.4024 177.7232 67 G 3.7815 8.0530 105.7380 46.5171 0.0000 175.1715 68 I 3.7975 7.0414 115.5166 62.3860 38.1374 176.4453 69 F 4.8414 7.5307 118.8368 57.2087 39.7153 175.2772 70 Q 4.3519 8.9029 122.3390 57.6532 29.2634 177.1283 71 S 4.4395 8.1488 109.6124 58.3335 63.9641 173.6810 72 A 4.5672 7.9092 122.9699 50.6015 20.5265 175.8462 73 K 4.2567 8.7371 120.5004 57.3224 32.3566 177.0504 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 2 T 8.17 4.20 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 8.40 4.16 1.27 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 0.00 0.00 4 L 8.36 4.74 0.00 1.60 1.55 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.31 4.11 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 6 K 8.44 4.02 0.00 1.73 1.75 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.42 7.81 7 P 0.00 4.58 0.00 2.21 2.05 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 8 Q 8.41 4.10 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 9 M 8.65 4.69 0.00 1.99 2.03 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 2.65 2.50 0.00 10 R 7.67 4.64 0.00 1.83 1.79 0.00 3.27 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 11 G 8.64 4.26 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 0.00 0.00 0.00 12 L 7.38 3.98 0.00 1.79 1.72 0.91 0.47 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 13 L 7.85 3.91 0.00 1.75 1.66 0.92 0.97 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 14 A 7.96 4.00 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 15 R 8.16 3.85 0.00 1.94 2.19 0.00 3.23 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 16 R 8.01 3.95 0.00 2.03 2.14 0.00 3.15 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 17 L 8.17 3.95 0.00 1.93 1.89 0.95 0.72 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 18 R 8.31 3.89 0.00 2.00 2.16 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 19 F 8.24 3.99 0.00 3.20 3.20 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 20 H 8.56 4.43 0.00 3.40 3.40 0.00 5.87 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 21 I 8.19 3.76 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.91 0.91 0.00 0.00 22 V 7.80 3.74 2.16 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 0.96 0.00 0.00 0.90 0.00 0.00 23 G 7.84 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.26 4.07 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.33 4.15 0.00 3.12 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 26 M 8.15 3.85 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 3.04 0.00 27 V 7.78 3.65 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.00 0.00 0.00 28 S 7.79 4.20 0.00 4.02 3.89 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 29 L 7.70 4.01 0.00 1.56 1.56 0.38 0.62 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 30 G 8.06 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 31 F 8.53 4.34 0.00 3.11 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.55 3.83 1.39 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 0.00 0.00 0.00 33 T 7.78 3.79 4.48 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 1.18 0.00 0.00 34 F 8.24 4.34 0.00 3.16 3.24 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 0.00 35 Y 8.40 3.58 0.00 2.28 2.68 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 0.00 0.00 0.00 0.00 36 K 8.12 4.26 0.00 1.85 1.84 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.61 7.81 37 F 7.49 4.84 0.00 2.86 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 38 A 7.68 3.39 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.16 3.81 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 0.00 0.00 0.60 0.00 0.00 0.38 0.00 0.00 40 A 7.36 3.87 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 41 E 7.89 3.88 0.00 1.92 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 2.48 2.33 0.00 42 K 7.36 3.70 0.00 1.76 1.72 0.00 1.51 0.00 0.00 1.41 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.27 7.81 43 R 7.86 3.91 0.00 2.06 2.08 0.00 3.27 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.84 0.00 44 K 8.00 4.06 0.00 1.87 1.86 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.64 7.81 45 K 8.48 3.97 0.00 1.80 1.82 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.58 7.81 46 A 8.14 3.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.18 3.74 0.00 3.18 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.35 4.15 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 49 D 8.73 4.32 0.00 2.68 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.95 4.04 0.00 2.83 2.81 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 51 Y 7.91 4.46 0.00 3.26 3.06 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 0.00 0.00 0.00 52 R 7.59 4.20 0.00 1.97 2.15 0.00 3.22 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 53 N 7.87 5.08 0.00 2.68 2.73 0.00 0.00 6.85 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 54 Y 8.09 4.10 0.00 2.83 3.09 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 0.00 0.00 0.00 0.00 55 D 7.78 4.52 0.00 2.57 2.33 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 56 S 7.89 3.77 0.00 4.16 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 0.00 57 M 7.93 4.13 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 58 K 8.29 3.92 0.00 1.95 1.87 0.00 1.59 0.00 0.00 1.51 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 59 D 8.10 4.33 0.00 2.91 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 60 F 8.62 4.35 0.00 3.16 3.32 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 61 E 8.58 3.66 0.00 2.34 1.91 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 2.33 2.38 0.00 62 E 8.11 3.91 0.00 2.22 1.95 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 2.31 2.51 0.00 63 M 7.90 3.89 0.00 1.60 2.34 0.00 0.00 0.00 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.47 0.00 64 R 8.00 3.98 0.00 1.16 1.75 0.00 3.34 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.93 0.00 65 K 8.01 3.92 0.00 1.74 1.82 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.48 7.81 66 A 7.63 4.16 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 67 G 8.05 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 0.00 0.00 0.00 68 I 7.04 3.80 1.59 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 -0.36 0.71 0.00 0.00 69 F 7.53 4.84 0.00 3.41 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 70 Q 8.90 4.35 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 71 S 8.15 4.44 0.00 3.97 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 72 A 7.91 4.57 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 73 K 8.74 4.26 0.00 1.79 1.75 0.00 1.83 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.39 7.81