NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8550 8.1976 109.7376 45.8823 0.0000 174.5093 4 I 2.3729 8.2925 117.5490 60.7922 37.9561 172.3673 5 R 4.3126 9.4501 124.7119 55.2281 31.1099 177.2717 6 E 4.2630 8.4352 125.8395 56.1171 31.2393 176.9727 7 K 4.4434 8.4792 121.9173 55.5313 32.3046 176.9270 8 I 4.2766 8.5693 127.1759 60.9701 38.9386 175.6564 9 K 4.9018 8.2725 122.1348 55.8038 34.6908 175.5230 10 L 5.0181 8.7488 125.6582 53.8546 43.4561 175.8638 11 V 4.6562 8.6918 123.6692 60.9554 34.0671 174.8505 12 S 2.7900 7.9306 121.2072 57.8021 62.2226 174.3327 13 S 4.2931 8.0792 120.9862 60.7053 63.6732 174.4794 14 A 4.1557 7.8943 122.3917 51.4733 18.8337 177.2298 15 G 3.7698 8.7313 108.4495 48.8039 0.0000 174.5188 16 T 3.8576 7.6508 108.4254 61.5058 69.1437 173.6212 17 G 3.8560 8.4704 110.4555 45.6650 0.0000 173.0867 18 H 4.4203 7.8322 121.4306 56.4954 31.2981 173.5810 19 F 5.3163 6.9914 111.6847 56.8406 39.4714 173.5550 20 Y 4.1486 8.4151 120.5866 57.8041 39.9363 173.9625 21 T 4.7970 8.1736 114.0295 61.5330 70.4069 172.8022 22 T 4.6597 8.3875 122.4280 62.0772 71.0779 171.7803 23 T 5.4086 8.4459 108.9484 60.6488 72.4988 172.8449 24 K 4.5448 8.6046 120.4287 55.7662 36.8459 175.0644 25 N 4.7721 9.1000 120.3884 52.7970 37.1951 175.6394 26 K 4.7117 7.8477 125.0711 58.9213 33.8600 177.7675 27 R 4.0713 7.8723 118.4444 59.4591 30.4271 178.2944 28 T 4.2157 8.2029 104.8734 62.2097 68.9645 175.9709 29 K 4.6450 7.6359 118.5386 55.9702 34.8845 173.6648 30 P 4.5851 0.0000 0.0000 64.3000 32.3871 177.9249 31 E 3.9621 8.0103 117.5513 55.4480 29.8695 175.9650 32 K 4.0811 9.0507 122.7996 55.4668 32.1527 176.5219 33 L 4.1412 8.5012 125.1677 55.7785 40.8732 176.2659 34 E 5.1235 8.3104 122.1147 54.6278 33.2479 174.8942 35 L 4.5098 8.4818 120.4900 54.6819 44.2600 174.0436 36 K 4.8303 8.6918 120.5513 56.8097 32.8806 176.4045 37 K 4.5151 8.9999 122.9827 54.8071 37.2634 174.3031 38 F 4.6795 8.4639 123.1363 57.5535 40.4802 174.6159 39 D 4.7403 8.7999 127.2868 51.2326 41.7408 175.1199 40 P 4.0118 0.0000 0.0000 65.5872 31.6913 179.1552 41 V 3.6656 7.5455 110.8336 63.0506 31.6493 176.7371 42 V 4.1098 7.3477 117.3351 61.9615 31.5876 175.2864 43 R 3.9328 7.4950 114.9280 57.0572 28.3795 175.5860 44 Q 4.9458 7.4974 115.1379 54.6634 33.8229 174.0737 45 H 5.1103 9.0391 118.2755 56.0987 29.9196 174.8476 46 V 4.5555 8.8585 121.1076 61.6481 36.1463 172.8728 47 I 4.4207 8.4048 124.4106 61.5071 37.6428 174.8261 48 Y 5.4727 8.9878 124.3954 55.9642 40.8405 175.2059 49 K 4.8485 7.7833 122.2799 56.2543 36.2613 169.7794 50 E 3.9063 9.2149 126.9420 55.9548 30.9276 175.0926 51 A 4.5942 8.4843 124.6645 52.7508 20.7004 176.2543 52 K 4.1746 8.1692 124.3853 56.4338 32.3486 176.0009 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 3 G 8.20 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 4 I 8.29 2.37 1.87 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 1.30 0.65 0.91 0.00 0.00 5 R 9.45 4.31 0.00 1.73 1.91 0.00 3.26 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 6 E 8.44 4.26 0.00 2.09 1.86 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 2.33 2.30 0.00 7 K 8.48 4.44 0.00 1.66 1.82 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.48 7.81 8 I 8.57 4.28 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.61 0.97 0.00 0.00 9 K 8.27 4.90 0.00 1.83 1.86 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.38 7.81 10 L 8.75 5.02 0.00 1.87 1.90 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.69 4.66 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.93 0.00 0.00 12 S 7.93 2.79 0.00 3.53 3.51 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 0.00 0.00 0.00 0.00 13 S 8.08 4.29 0.00 3.89 4.11 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 14 A 7.89 4.16 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 15 G 8.73 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 0.00 0.00 0.00 0.00 16 T 7.65 3.86 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 1.31 0.00 0.00 17 G 8.47 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 18 H 7.83 4.42 0.00 3.27 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 6.99 5.32 0.00 3.49 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.42 4.15 0.00 2.75 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.17 4.80 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 1.14 0.00 0.00 22 T 8.39 4.66 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 1.25 0.00 0.00 23 T 8.45 5.41 4.33 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 1.23 0.00 0.00 24 K 8.60 4.54 0.00 1.85 1.92 0.00 1.38 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.33 1.48 7.81 25 N 9.10 4.77 0.00 2.76 2.79 0.00 0.00 6.94 6.68 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 26 K 7.85 4.71 0.00 2.02 1.72 0.00 1.66 0.00 0.00 2.00 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.59 7.81 27 R 7.87 4.07 0.00 2.07 1.90 0.00 3.18 0.00 0.00 3.39 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 28 T 8.20 4.22 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 1.21 0.00 0.00 29 K 7.64 4.64 0.00 1.87 1.75 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.49 7.81 30 P 0.00 4.59 0.00 2.18 2.18 0.00 3.38 0.00 0.00 4.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 31 E 8.01 3.96 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 32 K 9.05 4.08 0.00 1.78 1.87 0.00 1.81 0.00 0.00 1.42 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.42 7.81 33 L 8.50 4.14 0.00 1.74 1.71 0.94 0.63 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 34 E 8.31 5.12 0.00 1.85 2.04 0.00 0.00 0.00 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 2.44 0.00 35 L 8.48 4.51 0.00 1.69 1.71 0.89 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.69 4.83 0.00 1.72 1.90 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.52 7.81 37 K 9.00 4.52 0.00 0.79 0.74 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 1.03 7.81 38 F 8.46 4.68 0.00 2.78 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 39 D 8.80 4.74 0.00 2.86 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 P 0.00 4.01 0.00 2.17 2.25 0.00 3.29 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 41 V 7.55 3.67 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.94 0.00 0.00 42 V 7.35 4.11 2.32 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 0.75 0.00 0.00 0.90 0.00 0.00 43 R 7.50 3.93 0.00 2.02 2.20 0.00 3.27 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 44 Q 7.50 4.95 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.69 7.01 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 45 H 9.04 5.11 0.00 3.13 3.35 0.00 5.91 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 46 V 8.86 4.56 2.12 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 0.88 0.00 0.00 1.01 0.00 0.00 47 I 8.40 4.42 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.85 0.95 0.00 0.00 48 Y 8.99 5.47 0.00 3.03 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 49 K 7.78 4.85 0.00 1.78 1.64 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.55 7.81 50 E 9.21 3.91 0.00 2.13 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 2.27 2.45 0.00 51 A 8.48 4.59 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.17 4.17 0.00 1.90 1.79 0.00 1.99 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.44 7.81