NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.0392 8.2544 120.8513 54.2053 31.5567 175.9238 2 I 3.0362 8.4663 114.9375 59.7421 37.0337 170.5284 3 P 4.7317 0.0000 0.0000 62.3981 33.1452 175.0088 4 V 4.6866 7.3475 117.5547 61.3108 32.6294 173.3464 5 K 4.2118 7.7759 124.9962 57.6295 35.0242 175.5638 6 Y 4.4412 6.9953 114.8158 58.9139 39.5312 174.6558 7 G 3.6777 8.4310 106.5516 44.5087 0.0000 174.4615 8 N 4.5278 6.7738 122.6410 52.5334 36.8630 175.6373 9 A 4.1430 6.8166 120.3129 49.9376 19.7843 176.8372 10 D 4.1831 8.7307 123.9043 54.6982 38.2988 173.5729 11 G 4.0260 8.5034 110.6110 45.3649 0.0000 171.8502 12 E 4.1889 7.9289 119.0858 56.0029 30.3258 174.8964 13 Y 4.7503 6.9431 117.6418 54.9232 40.5911 176.1316 14 C 4.1476 8.3759 118.4158 56.4296 40.2209 173.6467 15 K 4.2540 8.8201 127.9807 55.3573 31.5330 175.4618 16 F 5.6052 8.5662 125.6867 55.3098 40.8869 173.5938 17 P 5.8219 0.0000 0.0000 61.0809 33.0317 175.0293 18 F 5.1426 8.7913 116.7108 55.5233 41.2074 174.0124 19 L 4.8827 9.2141 123.3281 54.0354 43.6743 174.9910 20 F 5.2809 9.3517 129.7969 56.6802 41.4918 174.1502 21 N 4.1837 10.1824 123.1696 54.2692 35.9729 175.6836 22 G 4.0013 8.8003 104.7980 44.6450 0.0000 173.6317 23 K 4.4488 8.1616 121.9157 54.3971 34.6147 174.5870 24 E 5.3531 8.4788 126.9516 55.1799 30.7677 175.1718 25 Y 4.2395 7.8764 121.6200 55.9027 40.5560 175.8314 26 N 4.3177 8.3158 120.4466 52.5156 38.9202 174.4221 27 S 3.5056 6.6077 112.1136 57.6371 65.2104 174.2795 28 C 4.5962 8.6000 117.9913 56.7906 39.1021 173.1540 29 T 4.6001 7.7280 117.9888 60.5038 69.9243 173.5921 30 D 5.5733 8.1892 122.2301 53.5618 41.3329 176.5992 31 T 4.3031 7.3885 117.0550 65.0361 68.8029 174.8605 32 G 4.2317 9.2981 113.9821 45.4043 0.0000 173.3670 33 R 4.4590 7.8992 119.1186 54.8674 29.9923 176.7846 34 S 4.5526 8.6147 118.3736 59.3286 62.9911 174.9451 35 D 4.3663 7.9812 119.7394 53.9029 41.1836 177.0660 36 G 3.7472 7.7227 106.7806 46.0449 0.0000 173.0516 37 F 4.9422 7.7524 118.7452 55.8189 40.6846 175.0759 38 L 4.9261 8.8201 124.7365 55.4519 42.0942 175.8780 39 W 5.9776 9.1782 119.5171 55.4904 32.5096 170.7789 40 C 3.8545 8.9226 113.2186 54.2240 40.4579 172.6416 41 S 4.8502 6.9581 113.0947 56.7322 65.2756 174.0375 42 T 4.4218 7.9549 117.2784 63.1343 68.7270 173.7277 43 T 4.5384 7.4717 111.2388 59.7877 71.3270 172.4420 44 Y 4.3614 7.6941 119.1545 59.2641 38.4883 174.8468 45 N 5.1330 8.1872 126.0066 52.3830 39.4296 175.7737 46 F 4.4392 9.2246 129.6459 61.3571 39.9811 177.0656 47 E 3.7405 8.5909 120.4737 58.9847 29.7255 177.9143 48 K 4.1141 8.0971 116.2259 60.0454 33.0223 177.9310 49 D 4.3006 7.8161 118.9888 57.0566 40.9189 177.9660 50 G 3.5256 8.0644 104.9104 44.6324 0.0000 173.0502 51 K 4.5732 7.9194 120.4921 56.1579 33.3416 175.7260 52 Y 4.9362 8.4009 122.6762 56.3722 42.2938 173.4041 53 G 4.3790 8.2676 104.4993 46.9065 0.0000 172.4693 54 F 5.5724 7.9134 119.1965 56.3365 41.0179 176.0410 55 C 5.5672 9.0521 121.5123 55.0133 40.2612 173.4512 56 P 4.5458 0.0000 0.0000 62.0251 29.5481 174.5883 57 H 4.3898 7.6305 120.0801 56.9768 30.4458 174.6197 58 E 4.5464 8.2465 117.0144 54.7447 32.3325 176.5352 59 A 4.3223 8.3906 121.5414 52.5101 19.0789 177.3602 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 R 8.25 4.04 0.00 1.67 1.70 0.00 3.32 0.00 0.00 3.11 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.65 0.00 2 I 8.47 3.04 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 1.43 0.91 0.89 0.00 0.00 3 P 0.00 4.73 0.00 2.27 2.21 0.00 3.41 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 2.01 1.99 0.00 4 V 7.35 4.69 2.23 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 0.73 0.00 0.00 0.84 0.00 0.00 5 K 7.78 4.21 0.00 1.40 0.74 0.00 0.96 0.00 0.00 1.30 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.07 1.10 7.81 6 Y 7.00 4.44 0.00 3.48 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 7 G 8.43 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 6.77 4.53 0.00 2.81 2.68 0.00 0.00 6.72 7.22 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 9 A 6.82 4.14 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 10 D 8.73 4.18 0.00 2.87 2.64 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 11 G 8.50 4.03 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 0.00 0.00 0.00 12 E 7.93 4.19 0.00 1.86 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 2.14 2.16 0.00 13 Y 6.94 4.75 0.00 2.93 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 C 8.38 4.15 0.00 2.35 2.05 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 15 K 8.82 4.25 0.00 1.50 1.81 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.51 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.45 1.41 7.81 16 F 8.57 5.61 0.00 2.99 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 5.82 0.00 2.09 2.05 0.00 3.53 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.85 0.00 18 F 8.79 5.14 0.00 3.28 3.49 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 19 L 9.21 4.88 0.00 1.95 1.95 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.35 5.28 0.00 3.20 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 10.18 4.18 0.00 2.59 2.75 0.00 0.00 7.35 7.53 0.00 0.00 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 G 8.80 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 0.00 0.00 0.00 23 K 8.16 4.45 0.00 1.78 1.79 0.00 1.52 0.00 0.00 1.44 0.00 0.00 2.35 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.54 1.09 7.81 24 E 8.48 5.35 0.00 1.77 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 2.30 2.15 0.00 25 Y 7.88 4.24 0.00 1.74 2.62 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 26 N 8.32 4.32 0.00 2.54 2.68 0.00 0.00 6.76 7.51 0.00 0.00 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 S 6.61 3.51 0.00 3.80 3.59 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 0.00 0.00 0.00 0.00 28 C 8.60 4.60 0.00 3.02 3.13 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 29 T 7.73 4.60 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 30 D 8.19 5.57 0.00 2.80 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 31 T 7.39 4.30 4.39 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 1.65 0.00 0.00 32 G 9.30 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 0.00 0.00 0.00 0.00 33 R 7.90 4.46 0.00 2.22 2.18 0.00 3.18 0.00 0.00 2.79 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.27 0.00 34 S 8.61 4.55 0.00 3.88 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.98 4.37 0.00 2.36 2.57 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 36 G 7.72 3.75 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 0.00 0.00 0.00 37 F 7.75 4.94 0.00 2.77 2.38 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 38 L 8.82 4.93 0.00 1.78 2.01 1.03 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 39 W 9.18 5.98 0.00 3.38 3.39 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 40 C 8.92 3.85 0.00 2.88 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 41 S 6.96 4.85 0.00 3.82 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 42 T 7.95 4.42 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 43 T 7.47 4.54 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 44 Y 7.69 4.36 0.00 3.16 2.91 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 45 N 8.19 5.13 0.00 2.91 2.86 0.00 0.00 6.84 7.84 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 46 F 9.22 4.44 0.00 3.56 3.73 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 47 E 8.59 3.74 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 48 K 8.10 4.11 0.00 1.92 1.95 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.62 7.81 49 D 7.82 4.30 0.00 2.69 2.77 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 50 G 8.06 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 4.57 0.00 1.76 1.71 0.00 1.64 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.43 7.81 52 Y 8.40 4.94 0.00 2.89 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 53 G 8.27 4.38 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 0.00 0.00 0.00 54 F 7.91 5.57 0.00 3.24 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 55 C 9.05 5.57 0.00 2.96 3.11 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 0.00 0.00 0.00 56 P 0.00 4.55 0.00 2.17 2.02 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.85 0.00 57 H 7.63 4.39 0.00 3.17 3.20 0.00 5.73 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.25 4.55 0.00 2.11 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 2.25 2.25 0.00 59 A 8.39 4.32 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00