NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 S 4.4016 8.3349 115.2898 58.0931 63.5753 173.2133 23 S 4.4022 8.4101 123.4599 57.4469 64.2747 173.4519 24 D 4.4964 9.4918 125.1182 57.1578 41.5197 177.1354 25 P 4.2821 0.0000 0.0000 65.2677 31.2612 178.4830 26 L 3.9307 7.8133 118.7868 58.3152 42.2576 179.3234 27 V 3.6116 7.7117 111.9309 64.1910 31.5932 178.6185 28 V 3.5516 7.7314 117.3879 65.9745 31.4220 177.9477 29 A 3.9778 8.2517 120.4767 55.0723 18.1289 179.4003 30 A 3.9576 8.2850 119.7477 55.2613 18.5780 180.0918 31 S 4.0314 7.9619 112.2496 61.6442 63.1942 176.3767 32 I 3.6862 7.5904 123.7283 64.3762 36.8289 178.2805 33 I 3.8143 8.0239 120.3434 64.1330 36.7105 178.4118 34 G 3.8439 8.3082 106.8546 48.1496 0.0000 175.6376 35 I 3.7448 7.5994 121.9830 63.8849 37.0801 178.1021 36 L 3.9297 8.0190 121.1561 58.6147 41.7585 178.5548 37 H 4.2395 8.5677 118.1866 59.1688 29.8707 176.9573 38 L 3.9764 7.7479 122.1394 58.2802 41.8496 178.9962 39 I 3.7528 8.0741 119.9532 64.3411 36.9540 178.1575 40 L 3.9846 8.2877 121.3713 57.8135 41.7736 178.8056 41 W 4.0178 8.5844 128.4575 60.5816 30.6623 178.0417 42 I 3.8902 7.9830 119.6818 64.3734 36.5532 178.0099 43 L 4.0628 8.3837 121.5818 58.2002 41.6874 178.4847 44 D 4.2440 8.3266 118.1085 57.5291 40.9361 178.6150 45 R 4.0588 7.5257 116.9876 59.0761 30.3355 178.4441 46 L 4.2474 8.3345 119.5054 56.8557 43.2261 176.8976 47 F 5.1351 7.9683 119.2631 57.4585 39.3822 175.0201 48 F 4.1904 7.8528 128.1012 61.6547 40.4206 177.4362 49 K 3.9964 7.7493 119.7216 59.6435 31.5223 179.3940 50 S 4.1573 7.2841 114.5031 61.6406 62.7922 176.5244 51 I 3.8802 7.6539 120.4308 63.5570 37.7834 177.0573 52 Y 4.1817 7.6228 120.9123 60.7662 38.5302 177.9721 53 R 3.8120 7.8874 119.5477 59.2163 30.1900 178.1931 54 F 4.2149 8.0780 120.6276 61.3560 39.3358 176.8866 55 F 4.2368 8.4959 120.4407 61.2990 39.1922 176.6395 56 E 3.6604 8.1298 118.9919 59.4483 29.0849 178.2706 57 H 4.1058 8.4391 118.5572 59.0791 29.9096 177.5758 58 G 3.4303 7.8582 107.6267 47.5876 0.0000 175.8343 59 L 3.9574 7.8926 120.8373 57.3568 41.6683 179.1693 60 K 4.0034 7.8828 118.6600 58.7082 32.2393 178.0818 61 R 4.5588 7.5057 114.8642 55.6957 30.8704 176.4590 62 G 3.7013 7.8000 113.0093 45.5685 0.0000 172.8204 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 22 S 8.33 4.40 0.00 3.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.41 4.40 0.00 3.98 3.77 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 24 D 9.49 4.50 0.00 2.68 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 25 P 0.00 4.28 0.00 2.15 2.09 0.00 3.60 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 2.11 2.14 0.00 26 L 7.81 3.93 0.00 1.71 1.66 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.71 3.61 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 0.97 0.00 0.00 28 V 7.73 3.55 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 1.09 0.00 0.00 0.97 0.00 0.00 29 A 8.25 3.98 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 30 A 8.29 3.96 1.42 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 0.00 0.00 31 S 7.96 4.03 0.00 4.09 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 0.00 32 I 7.59 3.69 2.02 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 1.52 0.86 0.91 0.00 0.00 33 I 8.02 3.81 2.12 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 1.45 0.64 0.91 0.00 0.00 34 G 8.31 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.60 3.74 2.01 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 1.41 0.81 0.92 0.00 0.00 36 L 8.02 3.93 0.00 1.93 1.85 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 H 8.57 4.24 0.00 3.34 3.47 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.75 3.98 0.00 1.70 1.83 0.86 1.01 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 39 I 8.07 3.75 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.76 0.94 0.00 0.00 40 L 8.29 3.98 0.00 1.88 1.94 0.88 1.06 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 41 W 8.58 4.02 0.00 3.70 3.14 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 0.00 0.00 0.00 42 I 7.98 3.89 1.96 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 1.51 0.75 0.98 0.00 0.00 43 L 8.38 4.06 0.00 1.94 1.92 0.99 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.33 4.24 0.00 2.77 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 45 R 7.53 4.06 0.00 1.88 2.06 0.00 3.20 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 46 L 8.33 4.25 0.00 1.74 1.88 0.99 0.62 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 47 F 7.97 5.14 0.00 3.12 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 48 F 7.85 4.19 0.00 2.94 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 49 K 7.75 4.00 0.00 1.00 1.72 0.00 1.63 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.49 7.81 50 S 7.28 4.16 0.00 4.04 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 51 I 7.65 3.88 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.90 0.00 0.00 52 Y 7.62 4.18 0.00 2.54 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 53 R 7.89 3.81 0.00 1.90 2.11 0.00 3.18 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 54 F 8.08 4.21 0.00 3.10 3.25 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 55 F 8.50 4.24 0.00 3.15 3.01 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 0.00 0.00 0.00 0.00 56 E 8.13 3.66 0.00 1.86 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 2.13 2.05 0.00 57 H 8.44 4.11 0.00 3.44 3.32 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.86 3.43 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 0.00 59 L 7.89 3.96 0.00 1.42 1.59 0.22 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.88 4.00 0.00 1.78 1.71 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.40 7.81 61 R 7.51 4.56 0.00 1.79 1.87 0.00 3.24 0.00 0.00 3.14 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 62 G 7.80 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00