NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3722 8.1727 121.7896 56.5605 33.9736 177.4369 3 L 3.8883 7.5696 119.8198 56.4595 41.8264 177.3859 4 S 4.1037 8.7486 114.4366 61.6956 62.7978 174.9243 5 E 3.9534 8.2234 120.0257 60.2204 29.3794 178.6334 6 V 3.5802 7.7710 118.5945 65.0828 31.2873 177.6736 7 R 3.8750 8.1481 115.8991 59.5674 29.1985 179.1437 8 K 3.9606 7.8054 118.8639 59.4643 32.1238 178.9957 9 Q 4.0411 8.2251 118.4510 59.8828 28.4190 178.4772 10 L 4.0520 8.3388 119.4001 56.5867 41.2853 179.6178 11 E 3.8926 8.0870 121.1944 60.0002 30.0068 179.4417 12 E 4.0488 8.8432 119.3927 58.6702 29.5077 178.8006 13 A 3.9272 8.8476 120.6939 55.6757 18.3774 179.7145 14 R 3.8878 9.1889 115.3017 58.5856 30.5139 177.2044 15 K 4.6836 8.4235 117.0756 56.8292 32.6501 176.3196 16 L 4.6114 8.0039 115.1256 54.9667 42.4551 175.5626 17 S 3.5299 8.3279 116.1391 56.8763 63.6624 169.2611 18 P 3.8591 0.0000 0.0000 65.8475 30.4917 178.7072 19 V 3.2369 7.7479 115.0482 64.9086 33.4654 177.8859 20 E 3.8336 8.1170 119.4009 59.1961 29.9677 179.4214 21 L 3.9702 8.2804 119.3996 57.8788 41.8873 178.9703 22 E 3.9378 8.1898 118.4395 59.9946 29.5141 179.2492 23 K 3.7843 8.1744 116.9324 59.9891 32.0835 178.2201 24 L 3.9140 7.8881 119.8663 58.4754 42.0107 179.2302 25 V 3.5373 7.8001 117.7574 66.4273 31.4103 177.9575 26 R 3.9649 7.8829 116.9576 59.6138 29.8303 178.9713 27 E 3.9836 8.0630 117.6044 59.3862 29.5691 179.5977 28 K 4.0401 8.5117 118.8966 59.1057 32.1782 179.6716 29 K 4.0687 8.4324 119.6402 59.3790 31.9300 179.3705 30 R 3.9578 8.0765 119.0321 59.2157 30.1196 178.2815 31 E 4.0153 8.0156 118.3577 58.3884 29.3182 178.9845 32 L 3.9794 7.3518 120.1824 58.2530 42.4356 178.2261 33 M 4.1650 7.8906 117.7605 58.6661 31.8858 177.5206 34 E 3.8219 8.3591 119.4642 59.3003 29.7361 178.5408 35 L 3.9783 7.7492 118.2019 58.1688 41.7511 179.6007 36 R 3.9552 8.4429 118.0299 59.5950 29.9676 178.9160 37 F 3.8745 8.4023 116.8528 60.9184 38.8140 177.8905 38 Q 4.0430 7.9359 115.6538 58.6082 28.5288 178.6961 39 A 4.3650 8.5447 124.0797 54.7756 18.2830 179.8801 40 S 4.0911 8.1821 112.0308 61.2472 63.3361 176.1885 41 I 3.8516 7.8410 115.6400 60.2866 37.3940 176.2464 42 G 4.0662 8.1849 110.2340 44.5046 0.0000 176.0734 43 Q 3.9967 9.0435 114.6353 56.5570 29.9839 174.9128 44 L 3.5081 8.4699 122.4198 55.0630 38.2587 172.6964 45 S 5.5062 7.1497 126.0327 57.9929 64.0241 176.3633 46 Q 4.5267 8.0889 124.5248 54.7863 31.0011 177.2312 47 N 3.9451 9.0427 121.8271 53.6689 40.5988 178.2710 48 H 3.8720 8.4633 125.7754 58.7878 31.0204 176.5198 49 K 3.8216 7.8085 119.5369 59.6119 31.4182 178.3622 50 I 3.8838 7.7565 119.9693 63.5198 37.2820 177.9997 51 R 3.8410 8.0143 116.6478 59.8832 28.7513 178.4540 52 D 4.3198 8.3900 118.9735 57.0838 41.1467 178.2000 53 L 4.0619 7.7211 120.5209 58.0332 42.0424 178.2640 54 K 3.7681 9.0102 120.4164 60.1881 32.1619 178.4163 55 R 3.9512 8.6302 118.0865 59.5325 29.9690 179.1832 56 Q 3.9684 8.1080 117.5854 59.0560 28.6800 178.4048 57 I 3.6812 7.5010 120.5133 65.4152 36.6547 177.2141 58 A 4.0339 8.5075 120.4777 54.0633 17.8682 179.9850 59 R 3.9648 8.1562 113.6599 58.5667 30.5392 178.9068 60 L 3.9629 8.4433 119.2908 57.7328 41.6659 179.2052 61 L 3.9460 8.1865 118.9751 58.4519 41.6583 179.5190 62 T 3.8665 9.0507 115.7816 67.0302 68.3402 176.5034 63 V 3.5328 8.0460 119.6335 66.0676 31.7524 177.5564 64 L 3.9345 8.6418 120.5927 58.4524 41.5357 178.9032 65 N 4.4067 8.2885 116.4517 55.9138 38.5641 176.9116 66 E 4.1732 7.9552 116.4192 58.2738 29.3043 178.4767 67 K 4.1902 7.8446 120.2717 58.8632 32.3634 178.6954 68 R 3.7089 7.7991 118.0842 59.4043 30.7985 178.1870 69 R 4.4304 7.7072 118.3304 54.3377 29.3151 177.0258 70 Q 6.0313 6.3965 126.1823 56.7413 32.8077 173.6242 71 N 4.7283 8.7480 116.3425 54.1957 44.7282 174.4061 72 A 4.1817 8.2359 128.7118 52.1885 18.7220 177.8832 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 K 8.17 4.37 0.00 1.86 1.82 0.00 1.60 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.51 7.81 3 L 7.57 3.89 0.00 1.83 1.65 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.75 4.10 0.00 3.93 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.22 3.95 0.00 1.98 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 2.33 2.39 0.00 6 V 7.77 3.58 2.31 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 1.13 0.00 0.00 1.01 0.00 0.00 7 R 8.15 3.87 0.00 2.09 2.22 0.00 2.82 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.74 0.00 8 K 7.81 3.96 0.00 2.02 1.89 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.69 7.81 9 Q 8.23 4.04 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 10 L 8.34 4.05 0.00 1.87 1.60 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.09 3.89 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 2.35 2.60 0.00 12 E 8.84 4.05 0.00 2.17 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 2.33 2.42 0.00 13 A 8.85 3.93 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 14 R 9.19 3.89 0.00 1.99 2.05 0.00 3.27 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 15 K 8.42 4.68 0.00 1.78 1.84 0.00 1.55 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.40 7.81 16 L 8.00 4.61 0.00 1.78 1.67 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.33 3.53 0.00 4.10 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 18 P 0.00 3.86 0.00 2.23 2.17 0.00 3.73 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 2.08 1.98 0.00 19 V 7.75 3.24 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 0.94 0.00 0.00 0.93 0.00 0.00 20 E 8.12 3.83 0.00 2.12 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 2.47 2.52 0.00 21 L 8.28 3.97 0.00 1.96 1.70 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.19 3.94 0.00 2.15 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 2.34 2.38 0.00 23 K 8.17 3.78 0.00 1.95 1.86 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.54 7.81 24 L 7.89 3.91 0.00 1.69 1.88 0.92 0.93 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 25 V 7.80 3.54 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 0.96 0.00 0.00 0.96 0.00 0.00 26 R 7.88 3.96 0.00 2.07 1.98 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 27 E 8.06 3.98 0.00 2.19 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 2.32 2.60 0.00 28 K 8.51 4.04 0.00 1.88 1.85 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.62 7.81 29 K 8.43 4.07 0.00 1.89 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.68 1.59 7.81 30 R 8.08 3.96 0.00 1.87 2.03 0.00 3.07 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 31 E 8.02 4.02 0.00 2.15 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 2.29 2.56 0.00 32 L 7.35 3.98 0.00 1.85 1.78 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 33 M 7.89 4.16 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.50 0.00 34 E 8.36 3.82 0.00 2.34 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 2.29 2.38 0.00 35 L 7.75 3.98 0.00 2.00 1.74 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.44 3.96 0.00 2.08 2.03 0.00 3.14 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 37 F 8.40 3.87 0.00 3.31 3.16 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 38 Q 7.94 4.04 0.00 2.14 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 39 A 8.54 4.36 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.18 4.09 0.00 3.92 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 41 I 7.84 3.85 1.89 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 1.54 0.61 1.05 0.00 0.00 42 G 8.18 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 0.00 0.00 0.00 0.00 43 Q 9.04 4.00 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.43 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 44 L 8.47 3.51 0.00 1.81 1.73 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.15 5.51 0.00 4.13 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 46 Q 8.09 4.53 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.18 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 47 N 9.04 3.95 0.00 2.89 2.32 0.00 0.00 6.86 8.16 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 48 H 8.46 3.87 0.00 3.47 3.64 0.00 5.50 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.81 3.82 0.00 1.79 1.85 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.16 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.29 1.69 7.81 50 I 7.76 3.88 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.02 0.92 0.00 0.00 51 R 8.01 3.84 0.00 2.03 2.23 0.00 2.99 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 52 D 8.39 4.32 0.00 2.79 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 53 L 7.72 4.06 0.00 1.94 1.77 0.96 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 54 K 9.01 3.77 0.00 1.87 1.87 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 55 R 8.63 3.95 0.00 2.03 1.99 0.00 3.23 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 56 Q 8.11 3.97 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.67 0.00 57 I 7.50 3.68 1.93 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 1.79 0.98 0.91 0.00 0.00 58 A 8.51 4.03 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 59 R 8.16 3.96 0.00 2.10 1.98 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 60 L 8.44 3.96 0.00 1.81 1.71 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.19 3.95 0.00 1.83 1.74 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 62 T 9.05 3.87 4.40 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 1.21 0.00 0.00 63 V 8.05 3.53 2.21 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 1.05 0.00 0.00 0.96 0.00 0.00 64 L 8.64 3.93 0.00 1.87 1.76 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.29 4.41 0.00 3.11 2.84 0.00 0.00 6.68 7.19 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 66 E 7.96 4.17 0.00 2.14 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 2.52 2.41 0.00 67 K 7.84 4.19 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.61 7.81 68 R 7.80 3.71 0.00 1.80 2.04 0.00 3.32 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 69 R 7.71 4.43 0.00 1.73 1.93 0.00 3.31 0.00 0.00 3.27 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 70 Q 6.40 6.03 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.04 0.00 71 N 8.75 4.73 0.00 2.68 2.56 0.00 0.00 7.18 7.35 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 72 A 8.24 4.18 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