NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.1446 8.4444 121.4621 56.0069 29.5613 175.1024 2 Q 3.9732 7.8897 126.7356 52.6554 30.5561 173.6156 3 Y 4.3964 7.5642 116.5827 57.8459 39.1793 175.8010 4 T 4.6783 8.2931 109.6933 60.3513 69.4638 174.7722 5 A 4.1000 8.5658 124.4481 53.8500 19.0848 177.2119 6 K 5.4253 8.4512 120.7334 54.5690 34.6234 173.9498 7 Y 4.3966 8.5424 116.3943 58.4303 41.3321 176.1880 8 K 4.6904 7.8094 118.3098 55.5745 32.4493 176.3997 9 G 3.8620 8.4228 100.1508 46.2799 0.0000 172.8327 10 R 4.3725 7.6639 118.5994 54.3847 33.7010 174.9982 11 T 4.4783 8.5255 121.1359 63.7096 69.5393 174.0325 12 F 4.5888 9.7666 124.4941 55.2819 41.0533 175.9924 13 R 4.4660 8.2367 125.5031 55.0474 30.9779 175.2140 14 N 4.6016 8.1172 110.7008 51.2132 42.6570 173.3718 15 E 4.0968 9.0334 128.5138 59.2708 29.9907 178.6125 16 K 3.9871 8.1637 119.3367 59.5394 32.2462 178.4294 17 E 4.1493 8.1939 118.2462 59.4275 29.4023 178.6418 18 L 3.4487 7.9891 119.7636 58.2655 41.9071 179.3654 19 R 4.0301 8.3762 116.6396 58.3567 30.7756 176.9185 20 D 4.6000 7.5808 115.8029 55.3908 41.8474 176.9973 21 F 4.2663 8.0971 122.3116 60.0711 38.9045 176.6012 22 I 3.7494 7.6188 121.4565 64.7643 37.3915 177.8102 23 E 4.0197 7.4040 117.4877 58.5932 29.4564 178.6328 24 K 4.1235 8.0363 118.1922 58.3437 33.5097 178.0233 25 F 4.6065 7.3501 121.2688 57.3580 38.4835 176.8638 26 K 3.4871 7.4639 120.7974 57.9251 32.5296 178.1050 27 G 3.4759 7.5398 106.0328 46.1387 0.0000 173.7483 28 R 4.1223 7.7890 123.3593 55.8672 31.1294 175.6855 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 E 8.44 4.14 0.00 1.90 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 2.17 2.34 0.00 2 Q 7.89 3.97 0.00 1.84 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.35 2.18 0.00 3 Y 7.56 4.40 0.00 3.13 3.08 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 0.00 0.00 0.00 0.00 4 T 8.29 4.68 4.31 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 1.24 0.00 0.00 5 A 8.57 4.10 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.45 5.43 0.00 1.90 1.84 0.00 1.10 0.00 0.00 2.37 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.32 7.81 7 Y 8.54 4.40 0.00 2.67 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 8 K 7.81 4.69 0.00 1.97 1.80 0.00 1.97 0.00 0.00 1.91 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.70 1.23 7.81 9 G 8.42 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.66 4.37 0.00 1.48 1.37 0.00 3.07 0.00 0.00 3.23 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.85 0.00 11 T 8.53 4.48 4.20 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 1.33 0.00 0.00 12 F 9.77 4.59 0.00 3.08 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 13 R 8.24 4.47 0.00 1.64 1.77 0.00 3.35 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.38 0.00 14 N 8.12 4.60 0.00 2.85 2.68 0.00 0.00 6.85 7.68 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 15 E 9.03 4.10 0.00 2.22 2.01 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 2.41 2.44 0.00 16 K 8.16 3.99 0.00 1.90 1.85 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.57 7.81 17 E 8.19 4.15 0.00 2.45 2.25 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 2.47 2.35 0.00 18 L 7.99 3.45 0.00 1.75 1.57 -0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.38 4.03 0.00 2.05 1.99 0.00 3.37 0.00 0.00 3.14 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 20 D 7.58 4.60 0.00 3.01 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 21 F 8.10 4.27 0.00 3.29 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.62 3.75 1.82 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.66 0.94 0.00 0.00 23 E 7.40 4.02 0.00 2.12 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 0.00 2.30 2.32 0.00 24 K 8.04 4.12 0.00 1.94 1.77 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.57 7.81 25 F 7.35 4.61 0.00 2.50 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 0.00 0.00 0.00 0.00 26 K 7.46 3.49 0.00 1.66 1.75 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.51 7.81 27 G 7.54 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.79 4.12 0.00 1.70 1.73 0.00 3.18 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00