NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4111 8.3193 115.2898 58.1409 63.4571 172.6336 3 I 4.5225 8.0423 119.6742 57.4215 40.5303 173.5724 4 S 4.4632 8.8353 115.6131 57.7978 64.4731 175.5339 5 A 3.9921 7.8987 124.2110 52.8441 18.4578 177.8180 6 R 3.8936 8.7172 122.2917 58.5270 30.7182 175.8044 7 N 4.8930 8.0434 115.8495 51.6477 40.2961 174.3604 8 Q 4.7537 8.5297 122.6399 54.1940 32.6206 174.9193 9 L 4.6627 8.9542 125.2826 52.6290 44.1713 176.2964 10 K 4.5895 8.7371 124.0861 56.6067 33.2087 176.7988 11 G 4.1237 9.0050 110.1520 45.7240 0.0000 171.1601 12 K 5.0905 8.5021 120.5886 54.0829 35.2216 175.6496 13 V 4.2078 8.9325 128.1569 63.5158 31.9473 176.3867 14 V 4.4243 9.0863 120.8875 61.3005 33.4136 176.1105 15 G 4.5218 7.7706 107.1094 44.5844 0.0000 172.0455 16 L 5.1609 8.4061 124.7987 53.4404 45.3286 174.6942 17 K 4.5543 9.2105 127.5418 54.6503 35.1600 174.7285 18 K 4.6173 8.8718 127.1813 55.3796 33.3934 176.9058 19 G 4.3132 8.5739 115.2180 44.6307 0.0000 172.9164 20 V 3.9042 8.4134 117.6734 64.3110 32.3816 177.8069 21 V 4.3927 7.7853 118.4847 63.2816 34.3339 175.0403 22 T 5.3966 7.7503 108.4289 59.8245 72.9443 172.4664 23 A 5.0387 9.0468 121.7972 50.4794 23.1903 174.6908 24 E 4.9996 9.2498 122.5090 54.5687 31.7837 174.7510 25 V 4.7569 8.9047 127.4966 61.0371 34.5388 174.0987 26 V 4.8419 8.8614 128.0638 61.1027 34.0425 174.0153 27 L 5.2119 9.1658 127.8358 52.9064 45.0435 174.9574 28 E 4.9126 9.2533 125.2185 55.1530 31.2449 175.5832 29 I 4.7063 8.7459 121.2571 58.5744 41.0138 174.6717 30 A 4.0966 8.4709 124.4408 54.3406 18.2943 177.2852 31 G 3.9697 8.5279 110.6635 44.5026 0.0000 174.5186 32 G 4.0103 8.2733 106.6508 44.8469 0.0000 173.5493 33 N 4.4608 8.1762 118.3877 54.1416 40.1234 173.3729 34 K 5.1609 8.5252 122.2348 54.7521 34.9961 175.5671 35 I 4.5681 8.8935 124.3674 59.8278 40.1929 174.5193 36 T 5.0514 8.5779 123.0615 61.8157 70.8131 173.6937 37 S 4.7218 9.2346 120.3871 56.4587 66.1048 172.5337 38 I 5.0527 8.5001 127.0276 59.6857 39.1173 174.5227 39 I 4.7970 8.4338 120.3675 58.3523 41.4670 175.1243 40 S 4.6932 8.4266 116.0457 57.8060 63.9097 175.0676 41 L 3.9482 8.6862 124.2963 58.4315 41.6807 179.1217 42 D 4.3966 8.1350 118.4771 57.6783 40.7142 178.9318 43 S 4.1624 7.9892 115.3522 61.2917 62.7679 176.7513 44 V 3.5977 7.5688 121.2796 66.0212 31.0918 178.0562 45 E 3.9457 8.0971 117.9734 59.5734 29.1680 179.2124 46 E 3.9863 8.2902 117.5827 59.2141 29.6627 178.8134 47 L 4.3079 8.3393 116.9379 54.2004 42.2930 176.8226 48 G 3.8642 7.7264 106.9600 46.2330 0.0000 174.5310 49 V 3.7236 7.8146 119.4215 62.5181 32.3422 175.1332 50 K 4.6869 8.2331 124.6564 54.4100 36.4411 175.3004 51 E 4.1874 8.6113 120.5929 58.3194 29.7269 178.5328 52 G 3.9645 9.0568 112.6780 44.8990 0.0000 173.6915 53 A 4.1718 7.8554 122.0993 52.0445 19.7719 176.5068 54 E 4.8918 8.6527 120.6616 55.4035 30.6518 175.4714 55 L 4.9611 8.9114 123.8890 53.3552 47.0368 175.3162 56 T 5.0902 8.3423 115.1612 61.8982 71.4475 173.9768 57 A 4.4780 9.0740 128.6837 51.2349 20.3806 176.2944 58 V 5.2817 8.2335 120.6652 60.0191 34.6591 174.9193 59 V 4.4802 8.2035 126.0110 60.7458 34.5270 174.8420 60 K 4.1524 8.7359 129.0498 56.0574 33.0923 177.6875 61 S 4.1209 8.7583 120.3194 61.5860 63.0222 176.1760 62 T 4.0506 7.8634 109.0662 63.3487 68.5957 174.2346 63 D 4.5579 8.0554 121.4834 54.2020 41.2106 176.3157 64 V 4.0606 7.4642 120.5389 61.4926 31.3271 175.4569 65 M 4.3844 8.3611 127.1335 54.8682 32.8176 175.9409 66 I 4.5006 8.1281 121.5587 59.5493 39.7746 175.0614 67 L 4.8073 8.1784 123.2684 52.0571 45.4565 176.3714 68 A 4.1644 8.5968 121.2255 52.9222 18.2143 177.5814 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 2 S 8.32 4.41 0.00 3.85 3.84 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 3 I 8.04 4.52 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 1.47 0.96 0.91 0.00 0.00 4 S 8.84 4.46 0.00 3.99 4.01 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 5 A 7.90 3.99 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.72 3.89 0.00 1.76 1.97 0.00 3.26 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 7 N 8.04 4.89 0.00 2.86 2.73 0.00 0.00 6.90 7.34 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 8 Q 8.53 4.75 0.00 1.86 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.52 0.00 9 L 8.95 4.66 0.00 1.54 1.57 0.92 0.91 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 10 K 8.74 4.59 0.00 1.64 1.73 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.45 7.81 11 G 9.00 4.12 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 0.00 0.00 0.00 12 K 8.50 5.09 0.00 1.83 1.62 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.49 7.81 13 V 8.93 4.21 2.28 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 0.98 0.00 0.00 0.99 0.00 0.00 14 V 9.09 4.42 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 0.77 0.00 0.00 0.93 0.00 0.00 15 G 7.77 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.41 5.16 0.00 1.59 1.50 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.21 4.55 0.00 1.81 1.59 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.38 7.81 18 K 8.87 4.62 0.00 1.67 1.71 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.43 7.81 19 G 8.57 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 0.00 0.00 0.00 0.00 20 V 8.41 3.90 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 0.80 0.00 0.00 0.93 0.00 0.00 21 V 7.79 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 1.06 0.00 0.00 0.93 0.00 0.00 22 T 7.75 5.40 4.34 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 1.21 0.00 0.00 23 A 9.05 5.04 1.20 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 0.00 0.00 0.00 24 E 9.25 5.00 0.00 2.02 1.81 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 2.22 2.23 0.00 25 V 8.90 4.76 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 0.95 0.00 0.00 0.93 0.00 0.00 26 V 8.86 4.84 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 0.93 0.00 0.00 27 L 9.17 5.21 0.00 1.55 1.51 0.92 0.60 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 28 E 9.25 4.91 0.00 2.00 1.82 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 2.25 2.45 0.00 29 I 8.75 4.71 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 1.35 0.74 0.91 0.00 0.00 30 A 8.47 4.10 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.53 3.97 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 0.00 0.00 0.00 32 G 8.27 4.01 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 0.00 0.00 0.00 33 N 8.18 4.46 0.00 2.78 2.71 0.00 0.00 7.07 6.75 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 34 K 8.53 5.16 0.00 1.65 1.68 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.43 7.81 35 I 8.89 4.57 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 1.23 1.01 0.91 0.00 0.00 36 T 8.58 5.05 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 37 S 9.23 4.72 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 38 I 8.50 5.05 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 1.40 0.78 0.91 0.00 0.00 39 I 8.43 4.80 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 1.28 1.33 0.91 0.00 0.00 40 S 8.43 4.69 0.00 4.02 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 41 L 8.69 3.95 0.00 1.76 1.70 0.92 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.13 4.40 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.99 4.16 0.00 4.04 3.91 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 44 V 7.57 3.60 2.24 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 1.03 0.00 0.00 0.93 0.00 0.00 45 E 8.10 3.95 0.00 2.24 1.97 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 2.33 2.55 0.00 46 E 8.29 3.99 0.00 1.91 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 2.34 2.65 0.00 47 L 8.34 4.31 0.00 1.65 1.71 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.73 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 49 V 7.81 3.72 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 50 K 8.23 4.69 0.00 1.79 1.61 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.66 7.81 51 E 8.61 4.19 0.00 2.02 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 2.40 2.32 0.00 52 G 9.06 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.86 4.17 1.28 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 0.00 0.00 0.00 54 E 8.65 4.89 0.00 1.86 1.91 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 2.26 2.33 0.00 55 L 8.91 4.96 0.00 1.53 1.52 0.92 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.34 5.09 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 57 A 9.07 4.48 1.22 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 0.00 0.00 58 V 8.23 5.28 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 1.14 0.00 0.00 0.93 0.00 0.00 59 V 8.20 4.48 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 0.84 0.00 0.00 0.93 0.00 0.00 60 K 8.74 4.15 0.00 1.83 1.66 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.43 7.81 61 S 8.76 4.12 0.00 4.04 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 62 T 7.86 4.05 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 63 D 8.06 4.56 0.00 2.82 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 64 V 7.46 4.06 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 0.77 0.00 0.00 0.93 0.00 0.00 65 M 8.36 4.38 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 66 I 8.13 4.50 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 1.41 0.88 0.91 0.00 0.00 67 L 8.18 4.81 0.00 1.58 1.54 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.60 4.16 1.24 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 0.00 0.00 0.00