NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.4240 8.3133 120.8295 56.5485 45.1975 172.3156 2 Y 4.8817 7.9409 122.5734 54.4290 40.2682 169.8556 3 V 4.7628 8.1795 120.6047 61.4101 35.3392 173.4846 4 D 5.1649 9.2365 127.2942 52.9771 42.7748 175.8105 5 T 4.5989 8.7098 113.2788 61.5299 69.1567 174.4706 6 N 4.7032 8.9349 120.5310 52.9231 40.3437 174.7353 7 N 4.3656 8.4366 114.6467 54.6733 36.7862 173.6023 8 D 4.7418 8.5383 113.1256 51.5197 39.6123 176.1023 9 G 3.9030 8.0882 105.7543 46.2795 0.0000 173.5735 10 A 4.2355 8.1579 120.1257 50.1441 22.2988 176.0211 11 Y 5.2592 8.2729 120.3023 55.8284 39.0105 175.4790 12 E 4.4859 9.0406 121.6490 57.9380 32.6994 173.9041 13 G 4.0956 8.4853 110.9237 44.2989 0.0000 176.5706 14 D 4.4206 9.0640 127.2722 55.8982 41.5196 177.0015 15 E 4.4739 8.1348 117.1826 57.8013 29.6352 177.2953 16 L 4.5257 7.2441 119.6221 54.1148 42.2383 177.6898 17 S 4.2734 7.7984 114.7656 58.6373 63.8179 174.3472 18 G 3.9879 8.3942 109.9020 45.7353 0.0000 172.8756 19 T 4.7049 8.8489 122.3846 61.7810 72.4622 173.1571 20 M 4.8131 9.1711 121.2228 53.7016 35.5091 174.6438 21 E 4.7993 8.4230 124.6637 55.2329 31.2581 174.6740 22 Y 5.1325 9.3623 123.6779 56.1402 42.7643 174.2532 23 K 4.7892 8.9202 124.1996 54.9247 34.2478 174.7962 24 L 4.5661 8.9605 131.3726 53.7859 43.5322 174.9723 25 I 4.7244 8.8007 128.1412 59.3843 40.1128 174.7000 26 L 4.7840 8.8183 127.1596 53.2396 44.1659 175.6021 27 N 4.9838 9.3701 124.1208 51.6333 38.2439 174.4564 28 G 4.3901 8.7183 110.8154 43.9363 0.0000 172.4904 29 K 4.3498 8.9441 121.3529 58.7346 32.3694 178.4031 30 T 4.2643 7.7966 106.7446 61.5908 70.2433 173.9845 31 L 4.5996 7.4688 121.7033 52.7588 43.6268 174.7737 32 K 5.0257 8.2852 125.1696 55.5238 35.2957 175.7874 33 G 4.2145 8.8164 111.2605 46.0351 0.0000 171.1293 34 E 5.2615 8.4316 116.9416 55.2247 33.3578 173.7358 35 T 4.2497 8.2560 113.8065 62.3076 71.7580 171.1617 36 T 5.1628 8.3338 112.4109 60.5642 71.9810 173.1222 37 T 4.7749 9.3941 117.3588 60.9197 71.3450 171.3931 38 C 5.7324 8.9312 126.5574 55.1361 42.6138 172.4299 39 A 4.9722 9.2726 125.7406 50.4388 22.3195 177.7492 40 V 3.8060 8.6260 118.9768 64.2035 32.1469 176.6050 41 D 4.8828 7.7675 118.0365 51.1222 44.8608 176.0781 42 A 3.7684 8.8166 123.5282 54.6934 18.3371 180.1840 43 A 3.8634 7.8422 119.3431 55.5980 18.6922 179.8271 44 T 3.8069 7.8843 114.0629 66.6994 68.5627 177.0162 45 A 3.9086 7.7602 122.2607 54.7669 18.3607 179.0049 46 E 3.6335 8.2850 118.5283 59.3643 29.7381 179.3276 47 K 4.1159 7.8392 118.3352 59.8622 32.4654 179.2664 48 V 3.6544 7.5402 119.1797 65.7495 31.4437 177.8498 49 F 4.4019 8.6371 120.8411 61.3354 39.3151 177.3789 50 K 3.8698 8.5189 118.5777 59.3384 31.7901 179.1405 51 Q 4.0531 8.1392 119.9518 58.7903 28.6894 177.6098 52 Y 3.7819 7.9952 119.9830 60.6941 39.2847 177.1799 53 A 4.2125 8.4642 121.8207 55.2581 18.4318 179.1429 54 N 4.3741 8.3006 115.2711 56.8138 38.8431 176.6493 55 D 4.3688 8.0103 118.3698 56.6868 40.2431 177.1335 56 N 4.6656 8.0981 115.9128 52.9385 38.6413 176.6028 57 G 3.9208 7.7676 107.4430 45.8270 0.0000 173.0408 58 V 4.3743 7.1136 119.0453 60.9239 32.8972 175.1026 59 D 5.2291 8.2540 125.5932 53.1876 46.1485 172.2557 60 G 3.9711 8.5405 117.0914 45.8895 0.0000 175.8445 61 E 4.6443 8.6823 132.0985 54.4845 30.7687 173.0965 62 W 5.2699 9.1556 127.5619 55.6915 30.8552 175.8012 63 T 4.8631 9.1298 119.1104 60.5348 70.6145 171.7837 64 Y 4.9319 8.7457 128.3138 55.7694 42.8307 173.5419 65 D 4.3648 7.9225 125.8833 52.1775 42.6855 176.6705 66 D 4.4562 8.2855 123.3998 55.9092 41.6332 178.0277 67 A 3.9238 7.6548 120.9943 55.1303 18.3964 178.0456 68 T 4.3605 7.5790 106.5371 60.9787 69.6499 174.1669 69 K 3.8671 7.3431 117.8953 57.6167 30.0737 173.9064 70 T 5.2403 6.5522 114.8706 61.7486 73.4793 174.5256 71 F 5.3194 9.5256 124.1437 55.9811 42.3840 174.6039 72 T 5.1458 9.3400 118.9290 61.6924 72.6503 173.0841 73 V 4.4529 8.5311 125.9059 60.2417 33.7771 174.6521 74 T 4.8497 8.7037 123.2449 61.6248 70.5448 174.4611 75 E 4.2803 8.6023 127.1782 56.2523 29.2972 175.6259 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 C 8.31 4.42 0.00 2.89 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 2 Y 7.94 4.88 0.00 1.43 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.18 4.76 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 1.13 0.00 0.00 1.03 0.00 0.00 4 D 9.24 5.16 0.00 2.81 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.71 4.60 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 1.26 0.00 0.00 6 N 8.93 4.70 0.00 2.94 2.88 0.00 0.00 6.91 7.98 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 7 N 8.44 4.37 0.00 2.88 2.96 0.00 0.00 6.90 8.49 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 8 D 8.54 4.74 0.00 2.76 2.69 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 9 G 8.09 3.90 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 10 A 8.16 4.24 1.18 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 0.00 0.00 11 Y 8.27 5.26 0.00 2.82 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 12 E 9.04 4.49 0.00 2.01 1.89 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 2.16 2.21 0.00 13 G 8.49 4.10 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 0.00 0.00 0.00 14 D 9.06 4.42 0.00 2.78 2.69 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 15 E 8.13 4.47 0.00 2.25 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.34 0.00 16 L 7.24 4.53 0.00 1.38 1.19 0.87 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.80 4.27 0.00 4.03 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.39 3.99 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 0.00 0.00 0.00 19 T 8.85 4.70 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 1.34 0.00 0.00 20 M 9.17 4.81 0.00 1.42 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 21 E 8.42 4.80 0.00 1.89 1.68 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 2.15 2.31 0.00 22 Y 9.36 5.13 0.00 3.04 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 23 K 8.92 4.79 0.00 1.84 1.67 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.34 7.81 24 L 8.96 4.57 0.00 1.36 1.13 0.39 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.80 4.72 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.63 0.93 0.00 0.00 26 L 8.82 4.78 0.00 1.65 1.58 1.07 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 27 N 9.37 4.98 0.00 2.73 2.75 0.00 0.00 6.23 7.56 0.00 0.00 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 G 8.72 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 0.00 0.00 0.00 0.00 29 K 8.94 4.35 0.00 1.76 1.89 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.38 7.81 30 T 7.80 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 1.22 0.00 0.00 31 L 7.47 4.60 0.00 1.66 1.55 0.94 0.34 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 32 K 8.29 5.03 0.00 1.74 1.86 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.42 7.81 33 G 8.82 4.21 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 0.00 34 E 8.43 5.26 0.00 1.89 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 2.17 2.28 0.00 35 T 8.26 4.25 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 0.67 0.00 0.00 36 T 8.33 5.16 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 37 T 9.39 4.77 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 1.24 0.00 0.00 38 C 8.93 5.73 0.00 3.06 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 39 A 9.27 4.97 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 40 V 8.63 3.81 2.13 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 0.75 0.00 0.00 0.97 0.00 0.00 41 D 7.77 4.88 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 42 A 8.82 3.77 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 3.86 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 44 T 7.88 3.81 4.41 0.00 0.00 0.00 0.00 0.00 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 45 A 7.76 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.29 3.63 0.00 1.93 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 2.21 2.24 0.00 47 K 7.84 4.12 0.00 2.02 2.13 0.00 1.34 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.43 7.81 48 V 7.54 3.65 2.18 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 1.18 0.00 0.00 0.98 0.00 0.00 49 F 8.64 4.40 0.00 2.57 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 50 K 8.52 3.87 0.00 1.60 1.55 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.26 1.36 7.81 51 Q 8.14 4.05 0.00 2.41 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 52 Y 8.00 3.78 0.00 3.42 3.17 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 0.00 0.00 0.00 0.00 53 A 8.46 4.21 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 54 N 8.30 4.37 0.00 2.98 3.07 0.00 0.00 6.80 7.80 0.00 0.00 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 8.01 4.37 0.00 2.80 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 56 N 8.10 4.67 0.00 3.03 2.86 0.00 0.00 6.77 9.18 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 57 G 7.77 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.11 4.37 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 0.80 0.00 0.00 0.97 0.00 0.00 59 D 8.25 5.23 0.00 2.77 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 60 G 8.54 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.68 4.64 0.00 2.09 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 2.35 2.38 0.00 62 W 9.16 5.27 0.00 3.24 3.42 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 63 T 9.13 4.86 4.34 0.00 0.00 0.00 0.00 0.00 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 64 Y 8.75 4.93 0.00 2.60 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 7.92 4.36 0.00 2.25 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 0.00 0.00 0.00 66 D 8.29 4.46 0.00 2.87 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 67 A 7.65 3.92 1.18 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 0.00 0.00 68 T 7.58 4.36 4.13 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 1.10 0.00 0.00 69 K 7.34 3.87 0.00 1.91 2.05 0.00 2.05 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.40 1.43 7.81 70 T 6.55 5.24 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 1.22 0.00 0.00 71 F 9.53 5.32 0.00 1.79 2.12 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 72 T 9.34 5.15 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 1.17 0.00 0.00 73 V 8.53 4.45 1.68 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 0.67 0.00 0.00 -0.79 0.00 0.00 74 T 8.70 4.85 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 1.21 0.00 0.00 75 E 8.60 4.28 0.00 1.99 1.82 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 2.49 2.41 0.00