NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2995 8.3149 120.1356 56.8316 32.4360 174.4953 2 R 4.0230 8.1341 121.8959 54.9432 30.3791 174.6522 3 A 4.2738 7.9210 122.0534 55.7112 18.8362 176.8347 4 G 3.9351 8.9735 112.8452 47.2660 0.0000 174.2243 5 T 3.7962 7.3561 116.8774 63.5334 65.8770 172.4654 6 V 3.9901 7.6222 117.7894 59.8643 32.6995 175.4680 7 C 5.1081 9.0378 125.0013 59.3242 31.3722 174.6128 8 S 4.2232 8.8567 123.7693 60.7696 62.6690 175.0113 9 N 4.7680 8.1453 116.5738 54.4497 39.4237 175.6761 10 C 4.6912 7.6198 109.6633 57.3353 30.8687 174.0478 11 Q 3.5528 8.8741 116.2836 57.2938 26.9365 173.2631 12 T 4.3098 7.5817 113.5561 61.4777 67.9668 175.5969 13 S 4.9587 8.7754 122.8740 59.5328 64.0826 173.9866 14 T 4.4836 7.8365 111.9145 60.1557 69.5828 174.0283 15 T 4.3579 7.6373 115.6312 59.4357 71.7384 174.1051 16 T 3.8584 8.2366 113.7270 64.2865 69.3493 174.5379 17 L 4.4140 7.2112 122.0567 52.6169 45.5529 175.8785 18 W 4.5875 8.8363 125.0225 57.0383 29.3622 176.9235 19 R 4.3197 8.9070 125.9721 54.9805 29.4980 175.3581 20 R 4.4135 8.4385 121.6356 55.6978 30.3367 176.3741 21 S 4.2193 8.7718 120.1312 57.2966 63.0996 173.5068 22 P 4.3584 0.0000 0.0000 66.0242 31.2236 177.8071 23 M 4.0994 7.8926 116.4317 56.8346 31.9729 176.7209 24 G 4.1270 8.2670 108.4762 45.7446 0.0000 173.5610 25 D 4.7985 8.0864 120.1987 50.9958 43.9223 173.5900 26 P 4.3905 0.0000 0.0000 63.3032 32.2765 175.2769 27 V 4.9932 8.7705 119.7165 59.1241 34.3821 175.3010 28 C 3.6844 9.1827 120.1564 59.1045 29.8402 174.3175 29 N 4.0638 9.2472 121.7341 56.9604 38.5596 176.4062 30 A 4.0214 8.0846 121.4257 55.7743 18.2280 179.2972 31 C 4.2830 8.4853 115.2529 62.9793 27.9983 176.6192 32 G 3.6534 7.9766 105.7475 48.0578 0.0000 175.1257 33 L 4.1911 8.6134 122.0133 57.3621 41.6294 178.4884 34 Y 4.0093 8.4086 119.1382 61.1823 38.7836 177.9101 35 Y 4.1404 8.6017 120.4468 60.9980 38.6207 178.3819 36 K 4.0974 8.1044 119.0046 59.6374 32.2797 178.2005 37 L 3.8641 7.8453 119.3685 57.0931 41.5852 178.2458 38 H 4.3750 7.3704 115.5844 54.7893 29.8352 174.8384 39 Q 2.8903 8.3435 120.8094 56.9432 27.4779 172.5621 40 V 4.3882 6.9478 107.7432 58.6983 35.8701 174.6729 41 N 4.7595 8.5643 118.3732 52.5228 37.8303 174.9212 42 R 4.0308 8.5580 122.9037 54.4907 31.1191 174.3678 43 P 4.4577 0.0000 0.0000 62.2756 32.2952 177.1319 44 L 4.5336 8.3838 122.8869 56.1489 40.2771 179.2193 45 T 3.8773 7.9111 112.8219 65.4944 68.8520 174.5948 46 M 4.2358 7.7885 119.3946 55.2501 32.2589 175.3947 47 R 4.1956 7.4405 118.0901 56.7988 30.9143 174.9768 48 K 4.5859 7.9084 118.2011 54.8421 35.9184 175.8290 49 D 4.3476 8.7225 119.7278 56.8400 41.2324 176.7132 50 G 4.1506 7.4764 105.9632 42.8997 0.0000 172.8206 51 I 3.6294 8.1622 120.1984 61.3810 37.3981 176.6963 52 Q 4.1525 8.4068 124.1139 56.6934 29.2206 175.4072 53 T 4.6178 7.9039 113.1807 61.6697 70.4286 173.0501 54 R 4.3907 7.8458 121.9853 55.3632 33.3711 174.2090 55 N 4.3217 8.6942 117.6948 54.1303 37.7067 174.6647 56 R 3.7814 8.3856 124.1864 55.9418 30.6220 176.0018 57 K 3.8838 8.6650 125.4758 56.4642 32.5939 176.7673 58 V 3.7068 8.2497 125.7636 61.2181 31.8916 175.8953 59 S 4.0722 8.5187 117.0569 58.7737 62.9329 174.1766 60 S 4.2728 8.5992 119.1139 58.3086 62.1706 173.4894 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 K 8.31 4.30 0.00 1.75 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.41 7.81 2 R 8.13 4.02 0.00 2.19 1.85 0.00 3.06 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.17 0.00 3 A 7.92 4.27 1.26 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 0.00 0.00 0.00 4 G 8.97 3.94 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 0.00 5 T 7.36 3.80 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 6 V 7.62 3.99 2.13 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 0.66 0.00 0.00 0.92 0.00 0.00 7 C 9.04 5.11 0.00 3.34 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 8 S 8.86 4.22 0.00 3.92 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.15 4.77 0.00 2.75 2.91 0.00 0.00 6.72 7.64 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 10 C 7.62 4.69 0.00 3.02 3.04 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 0.00 0.00 0.00 11 Q 8.87 3.55 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 12 T 7.58 4.31 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 1.18 0.00 0.00 13 S 8.78 4.96 0.00 4.16 4.08 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 14 T 7.84 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 1.24 0.00 0.00 15 T 7.64 4.36 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.45 0.00 0.00 16 T 8.24 3.86 4.17 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 1.13 0.00 0.00 17 L 7.21 4.41 0.00 1.51 1.57 0.91 0.99 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 18 W 8.84 4.59 0.00 3.24 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 R 8.91 4.32 0.00 1.96 1.93 0.00 3.31 0.00 0.00 3.19 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 20 R 8.44 4.41 0.00 1.72 1.93 0.00 3.34 0.00 0.00 3.07 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 21 S 8.77 4.22 0.00 3.96 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.07 2.11 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 23 M 7.89 4.10 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 24 G 8.27 4.13 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 0.00 0.00 0.00 25 D 8.09 4.80 0.00 2.54 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 1.79 1.94 0.00 3.32 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 27 V 8.77 4.99 2.14 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 1.02 0.00 0.00 1.07 0.00 0.00 28 C 9.18 3.68 0.00 2.55 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 29 N 9.25 4.06 0.00 2.85 2.81 0.00 0.00 6.76 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 30 A 8.08 4.02 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 31 C 8.49 4.28 0.00 3.17 3.05 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 32 G 7.98 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 4.19 0.00 1.86 1.72 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.41 4.01 0.00 3.13 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.60 4.14 0.00 3.36 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 36 K 8.10 4.10 0.00 1.89 2.17 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.48 7.81 37 L 7.85 3.86 0.00 1.20 1.11 0.87 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 38 H 7.37 4.37 0.00 3.03 3.28 0.00 5.82 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.34 2.89 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 40 V 6.95 4.39 2.08 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 0.83 0.00 0.00 1.02 0.00 0.00 41 N 8.56 4.76 0.00 2.89 2.93 0.00 0.00 6.03 7.67 0.00 0.00 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 R 8.56 4.03 0.00 1.79 1.78 0.00 3.40 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.97 0.00 43 P 0.00 4.46 0.00 2.16 2.14 0.00 3.48 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.88 0.00 44 L 8.38 4.53 0.00 1.89 1.96 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.91 3.88 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 1.18 0.00 0.00 46 M 7.79 4.24 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 47 R 7.44 4.20 0.00 2.01 1.82 0.00 3.34 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 48 K 7.91 4.59 0.00 1.71 1.63 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.63 7.81 49 D 8.72 4.35 0.00 2.63 2.68 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 50 G 7.48 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 0.00 0.00 0.00 0.00 51 I 8.16 3.63 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.52 0.85 0.00 0.00 52 Q 8.41 4.15 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 53 T 7.90 4.62 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 1.25 0.00 0.00 54 R 7.85 4.39 0.00 1.78 1.81 0.00 3.27 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 55 N 8.69 4.32 0.00 2.67 2.78 0.00 0.00 6.73 7.65 0.00 0.00 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 R 8.39 3.78 0.00 1.80 1.86 0.00 3.31 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 57 K 8.66 3.88 0.00 1.75 1.72 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.44 7.81 58 V 8.25 3.71 2.08 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 0.79 0.00 0.00 0.93 0.00 0.00 59 S 8.52 4.07 0.00 4.00 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 60 S 8.60 4.27 0.00 3.85 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