NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4868 8.1585 120.3594 55.5926 34.6527 177.6018 2 A 3.9909 7.9606 120.9696 53.7559 18.6615 178.0553 3 K 3.9580 9.1194 117.3830 59.0136 33.2711 176.0448 4 E 3.9926 7.9558 116.6033 56.7547 29.9886 176.5658 5 F 4.6066 7.3723 114.6032 55.8428 40.8498 175.7444 6 G 4.0596 8.1408 108.2707 46.2750 0.0000 173.5204 7 I 4.1387 7.5929 121.3988 59.2741 37.8982 174.2651 8 P 4.3400 0.0000 0.0000 62.2588 33.1821 177.1287 9 A 4.0221 8.6614 122.0865 55.5051 18.2236 180.2008 10 A 3.9482 7.9098 118.6857 55.1883 18.4802 179.9633 11 V 3.5061 7.7259 116.0846 65.9895 31.7765 177.8755 12 A 4.0999 8.4490 121.1322 55.2885 18.2546 179.8487 13 G 3.6044 8.5044 104.5606 48.1298 0.0000 176.0559 14 T 3.8677 7.7654 117.6645 66.4202 68.4690 176.7785 15 V 3.5909 7.9316 120.1630 66.2421 31.4878 178.1530 16 L 4.0549 8.1337 118.4738 57.6417 41.3189 179.2585 17 N 4.3292 8.3468 116.8551 56.1043 38.3568 177.5777 18 V 3.5179 7.9820 119.8095 65.8379 31.6286 178.0717 19 V 3.5963 7.9211 118.0410 66.3839 31.1656 177.9774 20 E 4.0232 8.2930 116.5820 58.9319 29.3632 178.3375 21 A 4.3362 8.0960 118.5753 51.7091 18.8161 177.4571 22 G 3.7360 7.9458 105.4896 46.2383 0.0000 174.5690 23 G 3.7224 8.0532 109.4391 44.2599 0.0000 174.4443 24 W 4.7892 8.1444 118.6829 55.9103 31.0578 177.6950 25 V 3.6985 8.7066 122.2820 66.6393 30.8411 178.4717 26 T 3.9136 8.0689 108.8261 65.2041 68.5027 176.3759 27 T 3.9278 7.9869 117.9883 66.4148 68.5668 176.5506 28 I 3.7251 7.6775 121.2089 64.4130 37.0754 178.6437 29 V 3.6032 8.1646 119.4291 66.0765 31.3340 178.2678 30 S 4.1188 8.2883 114.8802 61.6443 62.7692 176.7273 31 I 3.7232 7.7821 122.4118 64.4118 36.8691 178.5721 32 L 3.9967 8.0888 120.0747 57.9856 41.4777 179.6971 33 T 3.8812 8.2499 109.8341 64.7872 68.4209 176.4496 34 A 4.0820 7.9545 122.9579 54.4955 18.4817 179.4691 35 V 3.7597 7.5786 116.4469 64.4849 32.3237 177.4176 36 G 3.9910 8.3504 106.0993 44.1891 0.0000 175.4365 37 S 4.2003 9.0300 113.8800 61.8183 62.6836 177.0710 38 G 3.9673 7.5534 110.0830 46.9977 0.0000 175.8333 39 G 4.1195 7.8940 109.0512 46.9547 0.0000 175.7065 40 L 3.9747 8.2676 121.7059 57.7426 41.6308 179.7929 41 S 4.1952 8.4083 115.4282 61.4019 62.6262 176.5483 42 L 3.0920 7.6818 123.0844 57.8166 41.5238 178.9368 43 L 3.8799 7.8107 117.8290 57.7297 41.7784 179.1375 44 A 4.0648 8.0386 120.5529 55.0120 18.1049 179.5387 45 A 3.9634 7.8336 118.1742 55.0782 18.8642 179.3634 46 A 2.8753 7.5030 118.7387 52.5562 18.4869 178.6841 47 G 3.7134 8.0393 105.7226 47.2794 0.0000 175.7382 48 R 4.2739 8.5436 123.0490 56.0127 30.5378 175.9835 49 E 4.1665 7.7250 119.6649 55.1733 30.5144 176.6891 50 S 4.1270 8.7098 118.7498 59.1902 64.0003 175.4877 51 I 3.8058 8.4082 127.3359 63.6736 37.7739 178.2023 52 K 3.9836 8.0276 120.3138 59.4872 32.1033 178.7198 53 A 4.0228 8.0014 120.6640 55.0934 18.3806 178.8354 54 Y 4.1488 8.2877 118.1625 61.0436 38.9083 178.3651 55 L 3.9498 8.1754 119.9194 57.5248 41.7005 179.4896 56 K 3.8769 8.2502 118.6959 59.5121 31.9351 179.2650 57 K 3.9385 8.1456 119.7227 59.3364 32.0113 178.7802 58 E 3.5938 7.8670 119.0290 59.2287 29.1906 179.3875 59 I 3.6280 7.8261 120.0467 64.0782 36.9080 178.3805 60 K 3.8769 7.7669 119.6183 59.4435 32.0955 178.7842 61 K 4.0763 8.0475 117.9700 58.5447 32.0936 178.5802 62 K 4.3773 8.3061 115.8810 54.4921 34.5851 177.2941 63 G 4.0029 7.7978 106.3328 45.6863 0.0000 174.2380 64 K 3.8151 8.7102 122.5238 59.4538 32.2474 179.0340 65 R 3.8859 8.0536 118.0633 59.6384 29.9481 178.1892 66 A 4.1132 7.9486 119.7951 54.8276 18.2079 179.6501 67 V 3.6698 7.5013 116.4998 66.1234 32.0129 177.9113 68 I 3.9337 8.0552 119.4558 64.4636 36.9095 178.1967 69 A 4.0761 8.0408 121.3038 54.8276 18.1679 177.2987 70 W 4.3576 8.6818 131.6776 57.7985 30.8316 175.4713 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 M 8.16 4.49 0.00 2.14 2.43 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.06 2.60 0.00 2 A 7.96 3.99 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 3 K 9.12 3.96 0.00 1.72 1.84 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.37 7.81 4 E 7.96 3.99 0.00 1.16 1.12 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 2.09 2.19 0.00 5 F 7.37 4.61 0.00 3.12 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 6 G 8.14 4.06 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 0.00 0.00 0.00 7 I 7.59 4.14 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.08 0.92 0.00 0.00 8 P 0.00 4.34 0.00 2.16 1.98 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 9 A 8.66 4.02 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 10 A 7.91 3.95 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 11 V 7.73 3.51 2.20 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 1.12 0.00 0.00 0.94 0.00 0.00 12 A 8.45 4.10 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 13 G 8.50 3.60 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 0.00 0.00 0.00 14 T 7.77 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 15 V 7.93 3.59 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 1.06 0.00 0.00 1.00 0.00 0.00 16 L 8.13 4.05 0.00 1.76 1.72 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.35 4.33 0.00 2.95 2.85 0.00 0.00 6.53 7.29 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 18 V 7.98 3.52 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 1.07 0.00 0.00 0.95 0.00 0.00 19 V 7.92 3.60 2.28 0.00 0.00 0.00 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 1.03 0.00 0.00 20 E 8.29 4.02 0.00 2.04 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 2.34 2.43 0.00 21 A 8.10 4.34 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 22 G 7.95 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 23 G 8.05 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.14 4.79 0.00 3.43 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 25 V 8.71 3.70 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 1.20 0.00 0.00 0.98 0.00 0.00 26 T 8.07 3.91 4.31 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 1.19 0.00 0.00 27 T 7.99 3.93 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 1.22 0.00 0.00 28 I 7.68 3.73 2.04 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 1.44 0.68 0.94 0.00 0.00 29 V 8.16 3.60 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 1.12 0.00 0.00 0.97 0.00 0.00 30 S 8.29 4.12 0.00 4.08 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 31 I 7.78 3.72 1.88 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 1.53 1.16 0.91 0.00 0.00 32 L 8.09 4.00 0.00 1.67 1.82 0.89 0.49 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 33 T 8.25 3.88 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 1.22 0.00 0.00 34 A 7.95 4.08 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 35 V 7.58 3.76 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 0.79 0.00 0.00 0.93 0.00 0.00 36 G 8.35 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 37 S 9.03 4.20 0.00 4.06 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 38 G 7.55 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 39 G 7.89 4.12 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 0.00 0.00 0.00 40 L 8.27 3.97 0.00 1.83 1.72 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.41 4.20 0.00 4.20 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 0.00 42 L 7.68 3.09 0.00 0.71 1.43 0.43 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.81 3.88 0.00 1.74 1.66 0.89 1.08 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 44 A 8.04 4.06 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 45 A 7.83 3.96 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 46 A 7.50 2.88 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 47 G 8.04 3.71 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 0.00 0.00 0.00 48 R 8.54 4.27 0.00 1.80 1.97 0.00 3.21 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 49 E 7.73 4.17 0.00 2.01 2.04 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 2.41 2.30 0.00 50 S 8.71 4.13 0.00 3.95 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 51 I 8.41 3.81 1.87 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.13 0.94 0.00 0.00 52 K 8.03 3.98 0.00 1.94 1.83 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.50 7.81 53 A 8.00 4.02 1.41 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 0.00 0.00 0.00 54 Y 8.29 4.15 0.00 3.15 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 55 L 8.18 3.95 0.00 1.81 1.74 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.25 3.88 0.00 2.07 1.85 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.47 7.81 57 K 8.15 3.94 0.00 1.87 1.78 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.42 7.81 58 E 7.87 3.59 0.00 1.88 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 59 I 7.83 3.63 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 0.88 0.00 0.00 60 K 7.77 3.88 0.00 1.81 1.94 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.44 7.81 61 K 8.05 4.08 0.00 1.76 1.70 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.52 7.81 62 K 8.31 4.38 0.00 1.58 1.69 0.00 1.08 0.00 0.00 1.40 0.00 0.00 2.72 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.15 1.21 7.81 63 G 7.80 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 0.00 0.00 0.00 64 K 8.71 3.82 0.00 1.82 1.83 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.53 1.52 7.81 65 R 8.05 3.89 0.00 1.92 1.92 0.00 3.24 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 66 A 7.95 4.11 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 67 V 7.50 3.67 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 1.03 0.00 0.00 0.88 0.00 0.00 68 I 8.06 3.93 2.11 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 1.51 1.17 0.96 0.00 0.00 69 A 8.04 4.08 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 0.00 0.00 70 W 8.68 4.36 0.00 3.44 3.40 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