NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4121 8.3049 120.3299 55.7098 32.7560 175.3356 2 D 4.2764 8.6019 127.3345 53.8482 38.1679 173.2533 3 Y 4.7333 8.0476 116.5179 57.0864 40.2805 175.8100 4 L 3.6458 7.4459 122.4016 57.5830 42.5528 178.1094 5 R 3.9882 7.9640 117.6549 59.3279 29.8789 178.3147 6 E 3.9767 8.1985 118.5098 59.2307 29.5558 178.7352 7 L 4.0201 7.5588 118.6775 57.9914 41.7540 178.6023 8 Y 4.2010 8.1032 119.3363 60.7824 38.6311 178.3618 9 K 3.9375 8.3571 120.3979 59.5873 32.2391 178.8332 10 L 4.1531 7.5812 118.8049 57.7940 40.9717 179.1413 11 E 4.0219 8.5478 118.8196 59.7327 29.4253 179.2969 12 Q 4.2782 8.5076 117.2925 58.1598 29.0586 178.2957 13 Q 4.1094 8.5577 119.4040 58.3023 28.6074 178.5915 14 A 3.9105 7.8797 122.1885 55.3673 18.5749 178.9681 15 M 4.0995 7.7532 115.7679 59.2461 32.0324 178.6861 16 K 4.0880 8.5963 118.6706 59.2271 32.1752 179.3902 17 L 3.9438 7.9015 119.4076 58.0443 41.5030 179.1652 18 Y 4.1845 8.4815 117.0372 60.8208 37.4838 178.8065 19 R 3.9279 7.8509 118.5091 59.3749 30.4243 178.4145 20 E 4.0648 7.9647 118.7682 59.0788 29.6676 178.3913 21 A 3.9644 8.4027 121.3614 55.3612 18.1544 179.5383 22 S 4.1951 7.9952 110.6725 61.3867 62.4707 175.6949 23 E 4.0771 7.7600 121.5806 59.1600 29.4503 178.7410 24 K 4.1814 7.9025 116.7926 59.1437 32.4697 178.6003 25 A 4.4324 8.4116 120.4896 52.2612 18.6043 179.4641 26 R 3.8041 8.1283 119.4561 60.0437 29.7817 176.6684 27 N 4.3745 7.6705 118.4087 53.0067 39.2925 173.8737 28 P 4.2957 0.0000 0.0000 65.5921 31.1453 178.0316 29 E 3.9724 8.1170 119.0041 59.5194 29.7767 178.6201 30 K 4.1488 7.8910 117.7808 59.2121 32.1511 179.1878 31 K 3.9970 8.1959 118.8011 58.5257 32.0634 177.8780 32 S 4.6916 7.4785 113.0227 58.3457 63.5607 174.6404 33 V 4.2058 7.8643 122.7503 64.3248 32.8114 177.5093 34 L 4.1827 7.7953 118.3535 58.2244 40.4989 178.6949 35 Q 3.8514 7.9840 120.6564 58.8002 28.9518 177.7942 36 K 3.8808 7.6555 119.5490 59.2953 32.1758 178.8431 37 I 3.4691 7.4871 119.5835 64.2675 36.9437 177.9448 38 L 3.6889 7.5926 119.8362 57.9707 41.4987 179.4256 39 E 3.8140 8.1595 118.9261 59.1774 29.6565 178.4736 40 D 4.1542 8.0816 119.1385 57.3414 40.7554 178.6827 41 E 3.6612 8.2212 119.4305 59.1021 29.4272 178.8661 42 E 3.7576 8.1764 119.5932 58.9009 29.5354 178.7662 43 K 3.3835 7.6632 119.6382 59.6290 32.1476 178.4953 44 H 3.4889 7.0999 115.8343 58.6959 28.5834 177.9303 45 I 3.5636 7.6971 121.7624 64.0929 36.8787 178.2198 46 E 3.9497 7.9936 119.5189 59.4148 29.3479 179.6082 47 W 4.3480 7.5881 118.4036 59.6709 29.0982 178.5067 48 L 3.7519 8.2107 119.4745 57.7141 40.6710 179.3097 49 E 4.0570 7.9479 117.9722 59.7582 29.7513 178.7538 50 T 4.0193 7.9406 114.3641 66.1843 68.5276 175.7478 51 I 4.1522 7.5580 119.8551 61.1400 38.1713 175.8992 52 N 4.5000 7.7480 118.5711 53.3427 39.5129 174.8601 53 G 3.8048 8.3898 111.7358 46.6004 0.0000 173.0852 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 8.30 4.41 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 2 D 8.60 4.28 0.00 2.89 2.72 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 3 Y 8.05 4.73 0.00 3.17 3.26 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 4 L 7.45 3.65 0.00 1.34 1.32 0.93 0.93 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 5 R 7.96 3.99 0.00 1.94 1.98 0.00 3.25 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 6 E 8.20 3.98 0.00 2.13 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 0.00 2.44 2.52 0.00 7 L 7.56 4.02 0.00 1.79 1.71 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.10 4.20 0.00 3.18 2.79 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 9 K 8.36 3.94 0.00 1.92 1.80 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.46 7.81 10 L 7.58 4.15 0.00 1.90 1.74 1.00 0.96 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 11 E 8.55 4.02 0.00 2.24 2.09 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 2.38 2.52 0.00 12 Q 8.51 4.28 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.73 0.00 13 Q 8.56 4.11 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 14 A 7.88 3.91 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 15 M 7.75 4.10 0.00 2.33 2.14 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 2.64 2.63 0.00 16 K 8.60 4.09 0.00 1.90 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.60 7.81 17 L 7.90 3.94 0.00 1.88 1.44 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.48 4.18 0.00 3.14 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 19 R 7.85 3.93 0.00 2.02 2.01 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 20 E 7.96 4.06 0.00 1.96 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 2.29 2.45 0.00 21 A 8.40 3.96 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 22 S 8.00 4.20 0.00 4.10 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 23 E 7.76 4.08 0.00 1.96 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 2.32 2.35 0.00 24 K 7.90 4.18 0.00 1.90 1.84 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.38 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.63 7.81 25 A 8.41 4.43 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 26 R 8.13 3.80 0.00 1.93 2.28 0.00 3.05 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 27 N 7.67 4.37 0.00 2.87 2.74 0.00 0.00 6.77 7.59 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 28 P 0.00 4.30 0.00 2.30 2.29 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 29 E 8.12 3.97 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 30 K 7.89 4.15 0.00 1.90 1.86 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.57 7.81 31 K 8.20 4.00 0.00 2.04 1.88 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.64 7.81 32 S 7.48 4.69 0.00 3.84 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 33 V 7.86 4.21 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 1.19 0.00 0.00 0.97 0.00 0.00 34 L 7.80 4.18 0.00 2.15 2.01 1.11 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.98 3.85 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 36 K 7.66 3.88 0.00 1.84 1.72 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.59 7.81 37 I 7.49 3.47 1.42 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.44 0.32 0.00 0.00 38 L 7.59 3.69 0.00 1.67 1.62 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.16 3.81 0.00 2.03 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 2.22 2.27 0.00 40 D 8.08 4.15 0.00 2.89 2.48 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 41 E 8.22 3.66 0.00 1.94 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 2.32 2.40 0.00 42 E 8.18 3.76 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 43 K 7.66 3.38 0.00 1.77 1.03 0.00 1.47 0.00 0.00 1.57 0.00 0.00 3.18 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.35 7.81 44 H 7.10 3.49 0.00 3.18 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.70 3.56 1.89 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 1.60 0.93 0.97 0.00 0.00 46 E 7.99 3.95 0.00 1.93 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 2.35 2.45 0.00 47 W 7.59 4.35 0.00 3.41 3.03 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 0.00 0.00 0.00 48 L 8.21 3.75 0.00 1.16 0.13 0.56 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.95 4.06 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 50 T 7.94 4.02 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 1.24 0.00 0.00 51 I 7.56 4.15 1.92 0.00 0.00 0.84 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 0.80 0.88 0.00 0.00 52 N 7.75 4.50 0.00 2.98 2.97 0.00 0.00 7.06 8.08 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 53 G 8.39 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00