NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.3157 8.2501 119.0725 54.5783 31.8263 174.9153 6 A 4.7320 8.1451 119.3920 50.1989 20.4857 175.1662 7 N 5.2891 7.7091 115.6451 53.9471 39.0525 174.9548 8 S 4.2217 8.3875 116.1055 62.2632 63.2911 175.7480 9 H 4.1252 8.0574 115.8992 58.1404 28.2097 176.7907 10 L 4.1166 7.4788 119.7028 57.1887 41.4803 177.6720 11 R 4.6701 7.6845 116.5687 55.4416 30.3534 176.0638 12 S 4.7308 7.7569 110.2677 56.8585 65.8547 173.8249 13 Q 3.9412 8.4382 121.2031 55.1393 29.4410 175.4072 14 P 2.0000 0.0000 0.0000 64.7673 31.2427 178.5478 15 I 3.4715 7.2449 115.8154 63.2847 37.8492 175.7181 16 D 4.7988 7.6542 117.9722 53.5539 41.4972 176.7171 17 W 4.8156 7.9638 121.4375 57.1186 29.7557 176.2491 18 T 4.6681 8.9399 113.5662 60.5759 71.1812 176.1503 19 I 4.0327 8.1084 122.2466 64.1855 36.9901 178.4342 20 E 3.9697 8.1867 118.7537 59.5478 29.2374 179.1977 21 E 3.7202 8.0307 118.3163 58.9447 29.4115 179.5467 22 V 3.3684 7.7473 118.4753 66.0146 31.6394 178.1520 23 I 3.3850 7.5608 119.4908 64.2311 36.8865 178.3101 24 Q 3.7761 7.8786 119.0003 59.0294 28.4085 178.3638 25 Y 3.7342 7.4010 120.2921 60.5903 38.8795 178.2308 26 I 3.3229 7.4562 120.4255 64.2452 36.9791 178.0491 27 E 3.8505 8.0165 118.4264 59.6468 29.4726 179.6796 28 S 4.1741 7.8235 112.1313 60.6635 63.0846 175.1061 29 N 4.8816 7.1974 118.0059 52.5942 39.5980 174.7738 30 D 4.2924 7.6954 117.4934 52.0836 42.8986 174.7636 31 N 4.2060 8.6686 126.0698 56.5620 38.6887 175.9646 32 S 4.2871 7.9453 113.6549 60.1558 63.3920 175.2321 33 L 4.5371 7.9314 121.8434 54.8774 42.0841 177.8237 34 A 3.9837 7.8143 122.2450 55.0964 18.0067 179.9959 35 V 3.5834 7.6760 115.5380 64.7492 31.8092 176.5376 36 H 4.7972 8.3592 116.8609 55.8039 29.0831 176.8935 37 G 3.8893 8.2587 109.0241 48.4512 0.0000 175.8632 38 D 4.5458 8.2294 120.7432 56.5480 40.6820 178.8194 39 L 4.0708 8.0821 120.0751 57.8699 41.5799 179.4295 40 F 4.0014 8.4470 117.3076 60.1989 38.7524 178.1806 41 R 3.9627 7.9557 117.5470 59.1094 29.8830 178.5410 42 K 3.7930 8.2343 118.8091 59.7341 32.1694 177.0442 43 H 4.5492 8.3236 112.7295 54.8857 29.1756 174.9462 44 E 3.7102 7.6777 118.3029 57.4380 26.8561 177.0461 45 I 4.2101 8.2410 120.7026 60.2252 36.9543 176.0102 46 D 5.1020 8.1998 126.9640 51.8269 42.4287 177.2754 47 G 3.7885 9.0618 105.4234 48.5149 0.0000 175.8371 48 K 3.9383 8.0985 119.2858 59.0969 32.3280 178.8338 49 A 4.1488 8.5317 120.9636 54.9704 18.1816 179.2106 50 L 4.0347 8.3804 119.2747 58.5150 41.9654 178.8421 51 L 4.2653 7.7623 115.6928 56.1559 41.7238 178.1748 52 R 4.4689 7.7944 116.8381 55.0724 31.5681 176.1338 53 L 4.2561 7.0279 121.3686 54.7552 42.9597 175.7593 54 N 5.1643 8.2504 120.6013 50.2668 41.9890 175.5384 55 S 4.1065 8.6191 116.5368 61.9085 62.8102 176.6208 56 E 3.9201 8.2146 121.2707 59.5117 29.4089 178.6450 57 M 4.1726 8.8909 119.0921 58.7739 32.2020 178.5715 58 M 4.0543 7.9935 118.7571 58.6511 31.6321 178.8834 59 M 4.5837 7.9935 120.0398 57.6911 31.9954 178.8050 60 K 3.5650 8.0469 118.8496 59.2243 32.4275 177.6707 61 Y 4.6050 8.0721 114.8263 58.8572 39.0232 176.9333 62 M 4.1747 7.9079 116.6119 54.0384 32.7053 176.5276 63 G 3.9061 7.2919 106.6762 45.9639 0.0000 174.0183 64 L 4.1587 7.4772 119.6184 53.9242 42.4695 177.2469 65 K 4.5621 8.2587 121.4924 55.4092 34.2274 178.1217 66 L 4.0079 8.4749 122.0639 58.6067 41.9230 178.9605 67 G 3.7403 8.1606 104.8132 47.7664 0.0000 173.4305 68 P 4.2964 0.0000 0.0000 64.8498 31.3544 178.5910 69 A 4.0173 8.0370 119.5194 55.2530 18.3149 179.7447 70 L 3.9650 8.2483 117.7110 57.8295 41.7543 179.9269 71 K 4.0482 8.2203 118.5485 59.4160 31.9727 179.5704 72 I 3.7935 8.2167 120.5788 64.5001 37.0909 177.8569 73 C 4.1164 8.3870 119.7923 62.6644 30.8018 175.2252 74 N 4.3757 8.3709 118.5121 56.7234 38.3181 176.9214 75 L 4.1516 7.6227 119.1103 57.7490 42.0075 179.3338 76 V 3.9292 8.2027 118.4200 66.0141 31.4485 177.8609 77 N 4.4341 8.4020 116.4037 56.2031 38.1060 177.4950 78 K 4.1939 7.8584 118.4362 58.4302 32.0864 178.7446 79 V 4.1957 7.2369 110.3547 60.7810 32.3175 175.5723 80 N 4.6490 7.9281 122.5636 53.8271 38.8824 174.2096 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 5 R 8.25 4.32 0.00 1.85 1.71 0.00 3.18 0.00 0.00 3.22 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 6 A 8.15 4.73 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 7 N 7.71 5.29 0.00 2.80 2.95 0.00 0.00 5.88 7.33 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 8 S 8.39 4.22 0.00 4.08 4.18 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 9 H 8.06 4.13 0.00 2.04 3.01 0.00 5.56 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.48 4.12 0.00 1.71 1.74 0.89 0.84 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 11 R 7.68 4.67 0.00 1.84 1.96 0.00 3.18 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 12 S 7.76 4.73 0.00 4.05 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 13 Q 8.44 3.94 0.00 2.13 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 14 P 0.00 2.00 0.00 1.50 0.78 0.00 3.16 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.92 0.00 15 I 7.24 3.47 1.71 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.67 0.79 0.00 0.00 16 D 7.65 4.80 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 17 W 7.96 4.82 0.00 3.50 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 18 T 8.94 4.67 4.29 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 1.32 0.00 0.00 19 I 8.11 4.03 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.07 1.00 0.00 0.00 20 E 8.19 3.97 0.00 1.96 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 2.41 2.35 0.00 21 E 8.03 3.72 0.00 2.17 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 22 V 7.75 3.37 2.29 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 0.99 0.00 0.00 1.21 0.00 0.00 23 I 7.56 3.38 1.93 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 1.39 0.44 0.86 0.00 0.00 24 Q 7.88 3.78 0.00 1.85 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 25 Y 7.40 3.73 0.00 2.02 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.46 3.32 1.66 0.00 0.00 -0.11 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 0.86 0.74 0.00 0.00 27 E 8.02 3.85 0.00 1.88 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 2.25 2.46 0.00 28 S 7.82 4.17 0.00 3.99 3.93 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 0.00 0.00 0.00 29 N 7.20 4.88 0.00 2.29 2.66 0.00 0.00 6.74 7.91 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 30 D 7.70 4.29 0.00 2.57 2.42 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 31 N 8.67 4.21 0.00 2.79 2.78 0.00 0.00 6.85 7.63 0.00 0.00 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 S 7.95 4.29 0.00 4.04 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 33 L 7.93 4.54 0.00 1.79 1.77 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.81 3.98 1.32 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 0.00 0.00 35 V 7.68 3.58 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 0.44 0.00 0.00 0.88 0.00 0.00 36 H 8.36 4.80 0.00 3.53 3.53 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.26 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 0.00 0.00 0.00 38 D 8.23 4.55 0.00 2.74 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 39 L 8.08 4.07 0.00 1.98 1.62 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.45 4.00 0.00 3.30 3.19 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 0.00 0.00 0.00 0.00 41 R 7.96 3.96 0.00 2.05 2.00 0.00 3.17 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.94 0.00 42 K 8.23 3.79 0.00 1.68 1.90 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.16 1.33 7.81 43 H 8.32 4.55 0.00 3.18 3.26 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.68 3.71 0.00 2.11 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 2.27 2.42 0.00 45 I 8.24 4.21 2.25 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 1.35 1.26 1.15 0.00 0.00 46 D 8.20 5.10 0.00 3.11 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 47 G 9.06 3.79 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 0.00 0.00 0.00 48 K 8.10 3.94 0.00 1.89 1.90 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.68 7.81 49 A 8.53 4.15 1.48 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 0.00 0.00 0.00 50 L 8.38 4.03 0.00 2.08 2.03 1.20 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.76 4.27 0.00 1.67 1.68 0.79 0.70 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 52 R 7.79 4.47 0.00 1.89 1.96 0.00 3.32 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 53 L 7.03 4.26 0.00 1.83 1.75 0.93 1.03 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 54 N 8.25 5.16 0.00 2.98 2.87 0.00 0.00 6.12 7.55 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 55 S 8.62 4.11 0.00 3.89 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 56 E 8.21 3.92 0.00 2.02 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 2.34 2.35 0.00 57 M 8.89 4.17 0.00 2.20 2.30 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 2.90 2.76 0.00 58 M 7.99 4.05 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.54 0.00 59 M 7.99 4.58 0.00 2.02 2.04 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 2.76 2.55 0.00 60 K 8.05 3.57 0.00 1.45 1.24 0.00 1.48 0.00 0.00 1.00 0.00 0.00 2.71 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 1.05 7.81 61 Y 8.07 4.60 0.00 2.95 2.86 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 0.00 0.00 0.00 0.00 62 M 7.91 4.17 0.00 1.78 2.13 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.16 0.00 63 G 7.29 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 64 L 7.48 4.16 0.00 1.84 1.53 0.82 0.26 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 65 K 8.26 4.56 0.00 1.76 1.73 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.44 7.81 66 L 8.47 4.01 0.00 1.74 1.67 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.16 3.74 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 0.00 0.00 0.00 68 P 0.00 4.30 0.00 2.11 2.11 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 69 A 8.04 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 3.96 0.00 1.87 1.74 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.22 4.05 0.00 1.99 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.60 7.81 72 I 8.22 3.79 2.12 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.99 1.15 0.00 0.00 73 C 8.39 4.12 0.00 3.12 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 74 N 8.37 4.38 0.00 3.03 2.99 0.00 0.00 7.23 6.07 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 75 L 7.62 4.15 0.00 1.94 1.79 0.73 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.20 3.93 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 1.14 0.00 0.00 1.16 0.00 0.00 77 N 8.40 4.43 0.00 3.03 2.89 0.00 0.00 6.97 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.86 4.19 0.00 2.12 2.00 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.79 7.81 79 V 7.24 4.20 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 0.60 0.00 0.00 0.95 0.00 0.00 80 N 7.93 4.65 0.00 2.83 2.83 0.00 0.00 6.70 7.66 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