NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4112 8.2493 123.5818 51.9138 22.1364 178.5166 2 K 3.9289 8.5863 111.5540 56.7987 31.2016 175.6680 3 T 4.4733 9.4386 105.0352 60.1573 74.1656 172.6363 4 I 3.5469 7.9280 130.4725 60.3113 37.6456 171.9623 5 K 5.0512 8.8570 124.2118 54.9303 34.8655 176.0750 6 I 4.7189 9.0715 126.5642 60.4172 40.2829 174.4747 7 T 4.8692 7.8783 117.6840 62.2818 72.4763 175.3967 8 Q 3.8537 8.8583 124.3938 57.1265 30.1807 177.6936 9 T 3.3879 8.0051 113.1290 63.3493 67.1387 172.3910 10 R 4.5973 8.2476 121.4988 54.3966 33.2008 176.2938 11 S 4.0824 8.5304 114.7520 59.0859 63.3001 174.5039 12 A 4.6730 8.2008 127.3408 51.1396 17.5440 175.7771 13 I 4.0712 6.6867 120.6970 62.5380 38.5981 177.4158 14 G 3.9763 7.7623 112.4585 46.2820 0.0000 173.2328 15 R 4.6777 7.7395 117.7590 53.7188 32.4785 177.2232 16 L 4.0553 8.4154 121.2627 54.6649 43.5823 176.9476 17 P 4.2711 0.0000 0.0000 65.8790 30.8905 179.2447 18 K 3.9789 8.1350 116.4167 59.2698 31.7518 178.7757 19 H 4.4546 7.9619 116.2590 58.6230 28.9427 177.3049 20 K 3.6316 8.0212 118.6727 59.6320 32.1246 178.9117 21 A 4.1352 8.4207 121.4196 55.3873 18.2609 179.5920 22 T 3.7845 7.5722 107.1727 65.0585 68.5037 175.8648 23 L 3.8503 8.6846 123.8644 57.7966 41.7021 178.8868 24 L 4.0463 8.0516 120.1501 58.2212 41.9790 179.0969 25 G 3.3705 7.5167 104.1205 47.3985 0.0000 174.3848 26 L 4.3996 7.6812 119.6820 54.0838 42.0049 178.4341 27 G 3.8348 8.9418 107.1990 45.2258 0.0000 173.3140 28 L 3.7479 7.1628 118.4304 55.2899 40.2732 177.0134 29 R 4.1131 7.7768 123.5786 58.0883 30.0692 179.3195 30 R 4.2931 7.5918 116.4170 55.7083 31.4832 177.4579 31 I 3.8252 8.1989 111.2554 62.6011 37.8807 176.5839 32 G 4.1614 7.3934 110.0627 45.4801 0.0000 173.6062 33 H 3.9576 8.5698 119.5973 58.7048 29.9356 171.3698 34 T 4.0720 8.3224 121.4946 62.4315 68.7606 171.7159 35 V 4.5588 7.7230 123.5340 60.1063 35.5002 173.4662 36 E 4.7674 8.7623 123.2066 54.5612 30.1817 174.6515 37 R 4.6212 8.6846 130.6390 56.9095 32.6418 173.6951 38 E 4.9178 8.6578 117.4119 55.5516 31.0965 175.8562 39 D 4.7756 8.4961 124.0535 54.1652 43.1255 176.8448 40 T 3.9280 7.9299 114.7990 63.5362 69.8113 172.9615 41 P 4.2623 0.0000 0.0000 65.6016 31.5043 178.5463 42 A 4.0876 7.8791 119.4108 55.1783 18.0942 179.2616 43 I 3.0848 7.7474 116.2421 63.7596 37.8014 176.8880 44 R 4.4351 7.8441 117.2508 56.8188 29.8408 176.9937 45 G 3.9487 8.7766 106.0251 47.1769 0.0000 176.0279 46 M 3.9479 7.8642 120.4151 58.4564 31.8243 178.0838 47 I 3.6952 7.4518 118.0964 64.2045 37.3163 177.2239 48 N 4.1191 7.7983 117.9673 56.7463 38.9620 175.4694 49 A 4.0302 7.0625 120.8038 55.7607 19.0596 178.8916 50 V 3.9159 7.8709 105.8399 60.8697 32.1791 179.4373 51 S 4.0661 8.5042 117.3239 61.6449 62.6046 176.2799 52 F 4.5586 8.5537 111.6972 57.8684 37.3082 174.7486 53 M 4.7248 7.8551 119.6482 54.8432 33.8119 175.3493 54 V 5.1729 7.9949 110.6810 60.1775 36.1854 175.1532 55 K 4.4639 8.4842 124.2578 54.1624 32.3084 176.0212 56 V 4.0574 8.0509 123.7437 63.0311 32.8813 174.5911 57 E 4.7706 8.8874 123.2425 54.8531 34.2941 175.6328 58 E 4.2509 8.7239 121.8528 56.5556 30.1356 175.8975 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 A 8.25 4.41 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 2 K 8.59 3.93 0.00 1.95 1.68 0.00 1.55 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.43 7.81 3 T 9.44 4.47 4.37 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 0.00 0.00 0.00 1.21 0.00 0.00 4 I 7.93 3.55 1.99 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 1.48 0.73 1.00 0.00 0.00 5 K 8.86 5.05 0.00 1.63 1.68 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.37 7.81 6 I 9.07 4.72 1.83 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 1.36 0.85 0.87 0.00 0.00 7 T 7.88 4.87 4.22 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 1.23 0.00 0.00 8 Q 8.86 3.85 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.30 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 9 T 8.01 3.39 4.19 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 1.19 0.00 0.00 10 R 8.25 4.60 0.00 1.75 1.84 0.00 3.32 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 11 S 8.53 4.08 0.00 3.82 3.79 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 12 A 8.20 4.67 1.22 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 0.00 0.00 13 I 6.69 4.07 1.89 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 1.24 0.63 0.92 0.00 0.00 14 G 7.76 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.74 4.68 0.00 1.85 1.99 0.00 3.37 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 16 L 8.42 4.06 0.00 1.53 1.57 0.90 0.93 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 17 P 0.00 4.27 0.00 2.16 2.10 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 18 K 8.14 3.98 0.00 1.76 1.91 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.49 7.81 19 H 7.96 4.45 0.00 3.52 3.37 0.00 5.84 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 20 K 8.02 3.63 0.00 1.85 1.92 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.51 1.88 7.81 21 A 8.42 4.14 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 22 T 7.57 3.78 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 23 L 8.68 3.85 0.00 1.86 1.89 0.97 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.05 4.05 0.00 1.80 1.88 0.92 1.01 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 25 G 7.52 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.68 4.40 0.00 1.72 1.66 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.94 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 0.00 0.00 0.00 28 L 7.16 3.75 0.00 1.68 1.76 0.85 0.79 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 29 R 7.78 4.11 0.00 1.93 1.87 0.00 3.25 0.00 0.00 3.25 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 30 R 7.59 4.29 0.00 1.91 1.87 0.00 3.14 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 31 I 8.20 3.83 1.86 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 1.34 0.52 0.93 0.00 0.00 32 G 7.39 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 0.00 0.00 0.00 33 H 8.57 3.96 0.00 3.34 3.30 0.00 5.87 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.32 4.07 4.26 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 1.25 0.00 0.00 35 V 7.72 4.56 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 0.75 0.00 0.00 0.91 0.00 0.00 36 E 8.76 4.77 0.00 1.98 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 2.20 2.27 0.00 37 R 8.68 4.62 0.00 1.80 1.57 0.00 3.29 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 38 E 8.66 4.92 0.00 1.94 1.78 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 2.20 2.31 0.00 39 D 8.50 4.78 0.00 2.56 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.93 3.93 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 1.24 0.00 0.00 41 P 0.00 4.26 0.00 2.01 2.15 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 42 A 7.88 4.09 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 43 I 7.75 3.08 1.86 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 1.67 1.19 1.00 0.00 0.00 44 R 7.84 4.44 0.00 1.84 2.06 0.00 3.33 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 45 G 8.78 3.95 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 0.00 0.00 0.00 46 M 7.86 3.95 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.62 0.00 47 I 7.45 3.70 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.72 0.89 0.00 0.00 48 N 7.80 4.12 0.00 2.69 3.01 0.00 0.00 6.90 7.96 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 49 A 7.06 4.03 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 50 V 7.87 3.92 1.79 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 0.51 0.00 0.00 0.93 0.00 0.00 51 S 8.50 4.07 0.00 4.05 4.28 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 0.00 0.00 0.00 0.00 52 F 8.55 4.56 0.00 3.22 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 53 M 7.86 4.72 0.00 1.47 1.31 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.39 0.00 54 V 7.99 5.17 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 0.77 0.00 0.00 0.97 0.00 0.00 55 K 8.48 4.46 0.00 1.58 1.72 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.66 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.38 7.81 56 V 8.05 4.06 2.07 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 0.76 0.00 0.00 0.92 0.00 0.00 57 E 8.89 4.77 0.00 2.06 1.75 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 2.22 2.43 0.00 58 E 8.72 4.25 0.00 1.89 1.80 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 2.19 2.31 0.00