NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4725 8.1933 115.2967 58.0508 62.7287 174.2609 5 S 4.2160 8.5405 124.9981 59.6114 62.4807 174.6235 6 L 3.9675 8.1017 122.9556 57.9401 42.1186 177.4832 7 Y 4.4159 8.0648 119.5985 60.6621 38.8700 177.5379 8 K 4.1751 8.3328 118.3831 58.7256 31.8898 178.8255 9 T 3.7995 7.2284 109.5993 63.8131 69.0518 176.3091 10 F 4.1236 7.6439 118.6719 58.7669 39.6705 177.0471 11 F 4.7977 7.4575 114.0587 55.2851 41.5129 175.7144 12 K 3.6904 8.1271 113.8911 58.1839 29.0511 174.1039 13 R 3.9104 8.4335 112.5210 56.5423 29.0482 176.2830 14 N 5.0122 7.8090 113.3929 51.3761 41.2978 174.1554 15 A 4.2899 7.9873 122.5898 50.7638 19.4452 177.3193 16 V 3.2676 7.5236 119.3134 62.3075 32.3575 176.3821 17 F 4.6943 7.9317 125.2215 56.3768 41.3349 176.7652 18 V 3.2843 8.4839 120.9447 66.3356 31.0447 178.5313 19 G 3.6953 8.0526 104.4360 48.4703 0.0000 175.6042 20 T 4.0124 7.9362 117.7308 65.8985 68.4171 177.0299 21 I 3.6842 7.6168 122.0469 64.4120 37.3488 178.2457 22 F 4.7000 8.6791 118.7032 60.7710 38.6536 177.5759 23 A 4.0558 8.4398 120.5051 55.2894 18.1750 179.9824 24 G 3.6392 8.3277 104.0070 47.8019 0.0000 175.7397 25 A 4.1480 8.4335 123.2325 55.2411 17.9910 179.7924 26 F 4.0740 8.7220 115.9396 60.4727 38.9987 178.2377 27 V 3.5588 7.8948 118.1722 65.9287 31.3494 177.6288 28 F 3.9993 8.6818 120.9008 61.6247 38.8937 176.5900 29 Q 4.0682 8.4438 118.9080 59.7299 28.6392 178.9331 30 T 4.0047 7.5169 116.0513 66.4014 68.7475 177.1506 31 V 3.5272 7.5726 119.9293 65.9750 31.5609 177.7459 32 F 3.9307 8.0447 120.5715 61.3462 39.1546 176.5518 33 D 4.1604 7.7176 116.2519 57.5011 40.9253 178.4578 34 T 3.8568 7.7357 115.7466 66.4234 68.5034 176.5638 35 A 3.9766 7.8953 122.6772 55.2298 18.2475 179.8805 36 I 3.5347 7.5169 118.0342 64.9116 37.2446 178.7110 37 T 3.9348 7.8676 116.4974 67.0441 68.2106 176.4753 38 S 4.1511 8.3537 117.1536 61.1487 62.9149 176.1146 39 W 4.1510 8.4312 130.7110 60.8868 30.3546 177.5492 40 Y 4.1951 8.7248 119.3566 61.0590 38.1304 178.0447 41 E 3.8920 8.2041 117.9726 59.2712 29.8055 178.6277 42 N 4.3045 8.1498 117.2961 56.7792 38.7717 176.4902 43 H 3.7618 7.5372 118.7292 58.1778 29.9907 175.9361 44 N 4.7279 7.2984 116.9174 51.4697 39.3282 174.4184 45 K 4.1574 6.9757 121.9901 58.0400 32.5851 176.3681 46 G 4.0541 10.0874 115.6186 45.3395 0.0000 174.4682 47 K 4.2537 7.5290 117.3440 57.6503 33.2209 177.7024 48 L 4.3253 7.6421 118.2887 53.9560 43.6151 177.6808 49 W 4.4086 8.7333 129.6109 60.4519 30.2385 178.0805 50 K 3.6599 8.1521 118.1660 59.7983 31.3432 178.7696 51 D 4.2638 7.8694 116.8311 57.3154 40.5313 178.6141 52 V 3.6206 7.5995 118.8678 65.5586 31.4016 178.0262 53 K 3.2524 7.8163 119.5678 58.9476 31.5849 178.7110 54 A 3.9064 7.1516 120.0133 54.9376 18.4183 179.1108 55 R 4.0760 7.3091 112.1393 56.2360 30.5432 176.4960 56 I 4.3738 6.6819 119.4693 59.3475 39.5864 175.6062 57 A 4.3814 8.2663 125.6846 50.9747 20.3601 176.0910 58 A 4.1921 8.2952 123.5617 53.4382 19.2385 175.7947 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 4 S 8.19 4.47 0.00 3.91 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 5 S 8.54 4.22 0.00 4.01 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 6 L 8.10 3.97 0.00 1.72 1.84 1.15 1.00 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 7 Y 8.06 4.42 0.00 3.13 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 8 K 8.33 4.18 0.00 1.90 1.89 0.00 1.79 0.00 0.00 1.93 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 1.69 7.81 9 T 7.23 3.80 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 1.17 0.00 0.00 10 F 7.64 4.12 0.00 1.86 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 7.46 4.80 0.00 2.24 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.13 3.69 0.00 2.07 1.80 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.28 7.81 13 R 8.43 3.91 0.00 2.09 2.13 0.00 3.02 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 14 N 7.81 5.01 0.00 3.01 2.71 0.00 0.00 6.87 6.73 0.00 0.00 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 A 7.99 4.29 1.10 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 0.00 0.00 16 V 7.52 3.27 1.74 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 0.54 0.00 0.00 0.06 0.00 0.00 17 F 7.93 4.69 0.00 3.19 2.84 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 18 V 8.48 3.28 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.85 0.00 0.00 19 G 8.05 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 20 T 7.94 4.01 4.43 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 1.37 0.00 0.00 21 I 7.62 3.68 1.84 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.72 0.93 0.00 0.00 22 F 8.68 4.70 0.00 3.10 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 23 A 8.44 4.06 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 24 G 8.33 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.43 4.15 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.72 4.07 0.00 3.24 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 27 V 7.89 3.56 2.37 0.00 0.00 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 1.09 0.00 0.00 28 F 8.68 4.00 0.00 3.27 3.24 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 0.00 29 Q 8.44 4.07 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 30 T 7.52 4.00 4.27 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 1.23 0.00 0.00 31 V 7.57 3.53 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 0.97 0.00 0.00 1.03 0.00 0.00 32 F 8.04 3.93 0.00 1.93 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.72 4.16 0.00 3.00 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 34 T 7.74 3.86 4.34 0.00 0.00 0.00 0.00 0.00 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 35 A 7.90 3.98 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 36 I 7.52 3.53 1.52 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.07 0.73 0.00 0.00 37 T 7.87 3.93 4.25 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 1.26 0.00 0.00 38 S 8.35 4.15 0.00 4.16 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.43 4.15 0.00 3.45 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 40 Y 8.72 4.20 0.00 3.41 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 3.89 0.00 2.06 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 2.40 2.56 0.00 42 N 8.15 4.30 0.00 2.73 2.69 0.00 0.00 6.78 7.43 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 43 H 7.54 3.76 0.00 1.88 2.76 0.00 5.98 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 7.30 4.73 0.00 2.41 2.60 0.00 0.00 6.57 8.50 0.00 0.00 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 K 6.98 4.16 0.00 1.75 1.62 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.32 7.81 46 G 10.09 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.53 4.25 0.00 1.87 1.84 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.34 7.81 48 L 7.64 4.33 0.00 1.91 1.64 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 49 W 8.73 4.41 0.00 3.33 3.10 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 50 K 8.15 3.66 0.00 1.79 1.79 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.59 7.81 51 D 7.87 4.26 0.00 2.72 2.66 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 0.00 0.00 0.00 0.00 52 V 7.60 3.62 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 0.99 0.00 0.00 1.05 0.00 0.00 53 K 7.82 3.25 0.00 0.79 1.39 0.00 1.47 0.00 0.00 1.47 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.16 1.05 7.81 54 A 7.15 3.91 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 55 R 7.31 4.08 0.00 1.76 1.93 0.00 3.07 0.00 0.00 3.18 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 56 I 6.68 4.37 1.86 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 1.41 0.78 0.90 0.00 0.00 57 A 8.27 4.38 1.18 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 0.00 0.00 58 A 8.30 4.19 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00