NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 K 4.1968 8.3144 122.1422 54.2591 33.5440 175.9870 11 L 4.2389 7.8404 123.5926 52.9374 42.7339 172.8356 12 P 4.1332 0.0000 0.0000 64.3147 32.3384 177.7234 13 E 3.5597 8.2566 122.5955 58.9920 29.8950 178.9409 14 A 3.8840 8.1449 120.8925 55.8916 18.6448 179.4025 15 Y 3.4405 7.9480 112.3429 60.6613 38.0559 178.6189 16 A 4.1528 7.9484 120.1181 53.7562 18.3179 177.6685 17 I 4.4411 7.5150 115.8875 61.6682 37.6251 176.2397 18 F 4.6598 8.7279 119.2380 57.2144 40.0585 176.8114 19 D 4.3088 7.8689 119.1404 56.6715 40.9343 176.2676 20 P 4.2977 0.0000 0.0000 66.2260 31.4665 177.7550 21 L 4.0389 7.8674 119.3844 57.8805 40.7069 178.5580 22 V 3.7517 8.2057 118.4838 66.6327 31.0647 177.7839 23 D 4.6532 8.3778 117.8681 56.8084 41.0357 178.1002 24 V 3.9752 8.3108 118.4587 64.3658 31.6662 177.6308 25 L 3.9782 7.3009 117.6934 57.7927 41.2685 177.6172 26 P 4.2732 0.0000 0.0000 65.7292 31.5389 178.5104 27 V 3.7551 7.9949 116.4434 65.5600 31.4345 178.1631 28 I 3.6139 7.4817 120.3410 64.0645 36.8263 175.6988 29 P 4.5785 0.0000 0.0000 65.9201 31.1612 178.3908 30 V 3.6321 7.8872 116.7120 66.2452 31.2909 177.6866 31 L 3.9249 7.7518 118.2626 58.1278 41.4382 179.3741 32 F 4.0328 7.9184 117.1635 60.8537 38.7323 177.5675 33 L 4.1601 8.2229 117.3107 58.3230 42.0205 178.4222 34 A 4.2336 7.9676 120.3355 54.9061 18.2667 179.4019 35 L 3.9766 8.8660 119.6013 58.1728 41.7034 178.9180 36 A 4.3281 8.7734 120.7905 54.5879 18.3218 178.9860 37 F 4.1724 8.1657 115.8784 59.3717 39.5629 178.3367 38 V 3.7531 7.8088 117.7929 65.2640 31.3743 177.7450 39 W 4.2304 8.4918 128.4713 60.7840 30.6929 178.1554 40 Q 3.0728 7.4767 116.4123 58.2730 27.7895 178.7686 41 A 3.2179 7.3033 121.3753 54.6047 18.1426 179.4975 42 A 3.9304 7.5400 118.3347 54.5769 18.6175 178.9570 43 V 3.9637 7.3942 115.3882 61.8515 31.2095 176.3185 44 G 3.8935 7.5879 103.9879 46.4523 0.0000 173.7357 45 F 3.5842 7.2396 114.8165 62.3051 37.2355 176.0660 46 R 4.0069 7.3689 123.6342 55.4727 28.7101 176.4295 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 10 K 8.31 4.20 0.00 1.79 1.75 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 11 L 7.84 4.24 0.00 1.70 1.67 0.97 0.63 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 12 P 0.00 4.13 0.00 2.50 2.14 0.00 3.61 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 13 E 8.26 3.56 0.00 2.04 1.95 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 2.41 2.33 0.00 14 A 8.14 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.95 3.44 0.00 3.08 2.83 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 16 A 7.95 4.15 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.51 4.44 2.25 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.89 0.93 0.00 0.00 18 F 8.73 4.66 0.00 3.17 3.12 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 19 D 7.87 4.31 0.00 2.85 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 20 P 0.00 4.30 0.00 2.24 2.22 0.00 3.82 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 21 L 7.87 4.04 0.00 1.75 1.92 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.21 3.75 2.31 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 1.00 0.00 0.00 1.07 0.00 0.00 23 D 8.38 4.65 0.00 2.88 2.73 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 0.00 0.00 0.00 0.00 24 V 8.31 3.98 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 1.05 0.00 0.00 0.97 0.00 0.00 25 L 7.30 3.98 0.00 1.74 1.78 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.27 0.00 2.03 2.14 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 27 V 7.99 3.76 2.10 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 1.04 0.00 0.00 0.94 0.00 0.00 28 I 7.48 3.61 2.04 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 1.64 1.24 1.03 0.00 0.00 29 P 0.00 4.58 0.00 2.22 2.20 0.00 3.87 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 30 V 7.89 3.63 2.26 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 1.05 0.00 0.00 0.96 0.00 0.00 31 L 7.75 3.92 0.00 1.91 1.60 0.90 1.00 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 32 F 7.92 4.03 0.00 3.29 3.16 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 33 L 8.22 4.16 0.00 1.77 2.03 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.97 4.23 1.37 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 35 L 8.87 3.98 0.00 1.67 1.84 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.77 4.33 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.17 4.17 0.00 3.28 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 38 V 7.81 3.75 2.31 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 1.08 0.00 0.00 1.06 0.00 0.00 39 W 8.49 4.23 0.00 3.37 3.38 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 40 Q 7.48 3.07 0.00 1.60 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 1.89 2.09 0.00 41 A 7.30 3.22 1.34 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 0.00 0.00 0.00 42 A 7.54 3.93 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 43 V 7.39 3.96 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 0.87 0.00 0.00 0.68 0.00 0.00 44 G 7.59 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 45 F 7.24 3.58 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 46 R 7.37 4.01 0.00 1.68 1.75 0.00 3.08 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00