NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4284 8.3344 115.3038 58.0088 63.7858 173.0007 8 D 4.7890 8.3979 125.1487 52.3873 42.6802 173.7465 9 F 5.4205 8.8914 117.2526 55.2775 42.0694 173.4901 10 V 4.5262 8.7284 112.2246 59.5423 35.1230 174.8455 11 V 4.7573 8.7043 124.7618 61.3899 33.7334 174.4729 12 I 4.9009 8.9898 128.4411 59.5342 40.6747 174.0735 13 K 4.9648 9.0633 129.4653 54.4144 34.2230 175.0883 14 A 4.4677 8.7842 130.2722 52.0236 19.1660 177.3844 15 L 4.6647 8.9814 122.7835 54.5421 42.5301 175.8470 16 E 4.6356 7.6168 115.8735 55.2150 32.2098 174.2595 17 D 4.4491 8.3630 119.0098 55.4073 41.4158 177.0175 18 G 3.8678 8.5718 109.8876 45.6250 0.0000 173.8788 19 V 3.8279 7.4987 120.1498 63.0835 32.8435 174.5331 20 N 5.2943 9.1607 125.4598 51.6054 40.9985 173.7635 21 V 4.5431 8.7904 125.3749 61.5409 33.2766 174.3911 22 I 4.5950 8.7298 129.9244 59.3907 39.6360 174.9397 23 G 4.1311 8.7393 115.0160 45.0768 0.0000 172.5661 24 L 5.4609 8.8781 126.1893 53.2504 43.9760 176.3267 25 T 4.5448 8.7083 114.2346 61.8543 69.1495 174.2458 26 R 4.3291 7.9057 126.6588 56.8025 30.4393 174.8728 27 G 3.7320 8.8476 109.1717 44.0112 0.0000 174.0004 28 A 4.1169 8.6347 121.2078 54.3490 18.6219 177.7720 29 D 4.8702 7.2542 111.6606 53.0778 42.6185 176.1931 30 T 4.7487 8.3189 118.8799 62.0208 70.7894 173.2713 31 R 4.6795 8.8857 122.2755 54.4011 33.8419 174.1893 32 F 5.1513 8.6743 119.0866 58.0920 38.7816 175.2656 33 H 4.9019 9.1889 119.7628 56.5797 30.1720 174.7689 34 H 4.7312 7.6873 117.9597 55.0139 33.3392 171.9030 35 S 4.8296 8.2946 120.0436 56.4177 64.6318 172.3588 36 E 4.4168 9.2563 129.6102 54.8763 30.9012 174.4734 37 K 4.8789 8.6085 128.7292 55.3320 33.5650 175.3040 38 L 4.9471 9.0525 127.5552 53.1920 44.6489 176.0255 39 D 4.9937 9.4426 123.6167 52.2054 43.5857 175.8906 40 K 3.9691 9.0005 121.7997 58.6496 32.2280 176.7000 41 G 4.0367 8.9669 115.7883 45.1455 0.0000 173.5214 42 E 4.2022 8.1125 119.7925 56.3136 30.7013 176.0374 43 V 4.9254 8.3245 122.8340 60.9926 34.0762 174.2428 44 L 4.7341 8.9844 129.6792 53.2746 44.7571 174.7929 45 I 5.0516 8.5208 126.6694 59.6150 39.1837 174.7962 46 A 4.7158 9.0360 129.0853 50.1699 22.0717 175.2246 47 Q 4.8676 8.6202 120.7064 54.7321 30.6190 175.7503 48 F 4.5974 8.5572 120.2859 58.0343 39.8866 175.1453 49 T 4.7072 8.7241 111.0455 60.2211 71.8484 173.2265 50 E 4.0133 8.8911 121.0779 59.2597 29.8015 177.2710 51 H 4.5586 8.1487 114.1788 56.2697 29.9046 174.0455 52 T 5.3254 8.6268 116.2738 61.0084 70.9221 174.4042 53 S 4.9389 9.0425 120.5163 58.2186 65.1436 173.4651 54 A 5.1249 7.9617 121.7931 50.8175 22.7222 174.9221 55 I 4.9643 8.5724 120.6500 59.3147 40.7105 174.7137 56 K 4.5470 9.0143 128.3210 54.4958 34.7020 174.5875 57 V 4.7745 8.3759 126.8963 61.1102 33.5075 174.4575 58 R 4.4811 8.8823 128.0157 55.2384 32.7419 174.3855 59 G 4.1863 9.0692 112.0791 43.5899 0.0000 172.7314 60 K 4.5285 9.7581 121.5504 56.0867 33.1879 175.6746 61 A 5.0743 8.7724 127.6277 50.9353 23.4734 173.6966 62 Y 4.9216 9.2703 121.4959 56.1708 40.7274 174.6295 63 I 5.0998 8.4755 127.2658 59.5606 41.1360 174.4326 64 Q 5.0206 9.1139 124.9265 54.3885 32.3787 174.7779 65 T 4.8336 8.4639 112.4536 59.6510 72.5107 174.5968 66 R 3.8780 8.4912 120.3507 58.9614 30.0432 176.5070 67 H 4.6473 8.2994 113.2740 55.6118 29.7289 174.1727 68 G 3.6884 6.9438 105.9561 44.1129 0.0000 172.6625 69 V 4.6220 7.9502 119.6316 61.6785 33.3093 176.2796 70 I 4.6365 8.2996 125.0381 59.6514 42.0532 173.1610 71 E 5.1658 8.4938 125.3708 54.4864 32.6308 175.9496 72 S 4.5402 8.6559 118.7613 57.7789 65.2674 174.4761 73 E 4.2752 8.4803 119.3339 56.6851 29.9490 176.0532 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 7 S 8.33 4.43 0.00 3.91 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.40 4.79 0.00 2.92 2.65 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 9 F 8.89 5.42 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 10 V 8.73 4.53 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 0.57 0.00 0.00 0.83 0.00 0.00 11 V 8.70 4.76 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 1.17 0.00 0.00 1.17 0.00 0.00 12 I 8.99 4.90 1.87 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 1.09 0.68 0.92 0.00 0.00 13 K 9.06 4.96 0.00 1.89 1.77 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.38 7.81 14 A 8.78 4.47 1.34 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 0.00 0.00 0.00 15 L 8.98 4.66 0.00 1.64 1.71 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.62 4.64 0.00 2.03 1.90 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 2.34 2.32 0.00 17 D 8.36 4.45 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.57 3.87 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 0.00 0.00 0.00 19 V 7.50 3.83 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 20 N 9.16 5.29 0.00 2.59 2.62 0.00 0.00 6.26 8.28 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 21 V 8.79 4.54 2.03 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 0.89 0.00 0.00 0.90 0.00 0.00 22 I 8.73 4.59 1.36 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.39 -0.31 0.00 0.00 23 G 8.74 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 24 L 8.88 5.46 0.00 1.87 1.72 0.98 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.71 4.54 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 1.39 0.00 0.00 26 R 7.91 4.33 0.00 1.91 1.96 0.00 3.23 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 27 G 8.85 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 0.00 0.00 0.00 28 A 8.63 4.12 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 29 D 7.25 4.87 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.32 4.75 4.26 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 1.28 0.00 0.00 31 R 8.89 4.68 0.00 1.81 1.96 0.00 2.79 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 32 F 8.67 5.15 0.00 2.91 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.19 4.90 0.00 3.14 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.69 4.73 0.00 3.32 3.08 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.29 4.83 0.00 3.73 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.26 4.42 0.00 2.15 1.79 0.00 0.00 0.00 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 2.29 0.00 37 K 8.61 4.88 0.00 1.78 1.67 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.44 7.81 38 L 9.05 4.95 0.00 1.55 1.52 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.44 4.99 0.00 2.54 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 40 K 9.00 3.97 0.00 1.74 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.31 7.81 41 G 8.97 4.04 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 0.00 0.00 0.00 42 E 8.11 4.20 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 43 V 8.32 4.93 2.09 0.00 0.00 0.00 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 0.95 0.00 0.00 44 L 8.98 4.73 0.00 1.75 1.46 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.52 5.05 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.68 0.79 0.00 0.00 46 A 9.04 4.72 1.12 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 47 Q 8.62 4.87 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 48 F 8.56 4.60 0.00 3.02 2.98 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 0.00 0.00 0.00 49 T 8.72 4.71 4.30 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 1.31 0.00 0.00 50 E 8.89 4.01 0.00 1.92 1.96 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 2.06 2.26 0.00 51 H 8.15 4.56 0.00 3.28 3.21 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.63 5.33 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 53 S 9.04 4.94 0.00 3.87 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 54 A 7.96 5.12 1.31 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 55 I 8.57 4.96 1.81 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.62 0.86 0.00 0.00 56 K 9.01 4.55 0.00 1.73 1.40 0.00 1.56 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.34 7.81 57 V 8.38 4.77 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 0.81 0.00 0.00 0.89 0.00 0.00 58 R 8.88 4.48 0.00 1.87 1.69 0.00 3.12 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 59 G 9.07 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.76 4.53 0.00 1.82 1.72 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.77 5.07 1.25 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 0.00 0.00 0.00 62 Y 9.27 4.92 0.00 2.95 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 63 I 8.48 5.10 1.92 0.00 0.00 0.83 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 0.56 0.89 0.00 0.00 64 Q 9.11 5.02 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 65 T 8.46 4.83 4.10 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 1.15 0.00 0.00 66 R 8.49 3.88 0.00 1.76 1.80 0.00 3.20 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 67 H 8.30 4.65 0.00 3.17 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.94 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.95 4.62 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 0.18 0.00 0.00 0.82 0.00 0.00 70 I 8.30 4.64 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.38 0.84 0.00 0.00 71 E 8.49 5.17 0.00 1.84 1.83 0.00 0.00 0.00 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 2.17 0.00 72 S 8.66 4.54 0.00 4.01 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 73 E 8.48 4.28 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00