NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5129 8.3044 120.3268 55.5155 33.7306 173.7530 2 Q 4.4045 8.4504 121.9763 56.2733 34.4727 175.0128 3 L 4.0686 7.8766 116.7628 57.6681 43.0499 178.9023 4 V 3.7869 7.6918 118.5754 64.2627 31.6239 178.1260 5 L 3.9138 7.8632 120.6527 57.8899 41.8396 178.5533 6 A 4.1920 8.0118 120.1453 54.9196 18.3910 179.1018 7 A 4.0686 7.6422 117.3331 54.2704 18.3466 179.7957 8 K 3.8522 7.7274 117.6228 59.2386 31.8933 178.8525 9 Y 4.2472 7.4740 116.4956 60.6741 37.6568 177.8218 10 I 3.8778 7.6822 121.0249 64.2774 36.6961 178.6338 11 G 3.3473 8.1532 105.8540 47.0908 0.0000 175.5761 12 A 4.1970 7.5710 122.8777 54.6156 18.3465 179.4955 13 G 3.4580 7.7705 102.9851 46.8603 0.0000 175.3464 14 I 4.1371 7.2635 121.7449 63.2204 37.1885 177.6172 15 S 4.3625 7.7414 113.4484 60.2311 63.0103 175.9784 16 T 3.7622 7.3470 112.3124 64.2545 68.6715 176.7823 17 I 3.8987 7.7050 123.2098 63.8984 36.8669 177.6839 18 G 3.8742 7.4517 104.1214 45.8429 0.0000 174.4812 19 L 4.4491 7.6099 120.6926 55.0991 41.9601 178.3630 20 L 4.1483 7.7985 121.2858 57.4999 41.6392 179.3986 21 G 3.6614 8.1838 105.0438 47.1280 0.0000 174.9666 22 A 4.4080 7.8831 122.7519 53.7602 18.7240 179.8816 23 G 3.5145 7.8042 104.1299 48.2309 0.0000 175.9710 24 I 3.8432 7.9260 123.0991 63.3746 37.3928 178.3810 25 G 3.9852 7.9730 107.5822 47.5610 0.0000 175.5977 26 I 3.8939 7.7783 121.9186 63.3314 37.0554 178.5805 27 A 4.0273 7.5237 121.5695 55.3378 18.3483 179.7510 28 I 3.6944 7.7058 118.1051 64.5210 36.9470 178.8952 29 V 3.6145 7.5353 117.6706 65.9990 31.3137 177.5435 30 F 4.0258 8.5803 120.1881 60.8862 39.2427 177.2099 31 A 4.1135 8.6676 120.8136 54.9571 18.0572 179.4661 32 A 3.9744 8.0287 119.4569 55.1771 18.4885 179.6073 33 L 3.8781 7.6142 118.5817 58.1532 41.8136 179.3739 34 I 3.8025 7.4913 118.8457 64.3003 37.6352 177.3638 35 N 4.6021 8.3754 118.0205 56.0288 38.6694 177.4506 36 G 3.6432 8.4582 110.1543 48.7690 0.0000 175.8596 37 V 3.9111 7.4032 110.9753 62.4935 31.7327 177.6268 38 S 4.3135 7.5039 114.4584 60.1062 62.8848 174.8038 39 R 4.4758 7.4820 117.9722 56.4004 30.8820 176.1258 40 N 5.0021 7.3960 114.2617 52.5508 40.0810 172.4566 41 P 4.0663 0.0000 0.0000 65.1105 31.7552 178.4320 42 S 3.9989 7.1367 113.3674 61.1114 62.5277 173.7460 43 I 3.7244 7.5233 122.2101 61.4532 38.3056 174.3799 44 K 4.5862 8.5585 126.8577 58.4264 35.8435 177.5143 45 D 4.5684 8.1358 114.3526 54.9838 39.9415 176.9123 46 T 4.4534 7.8911 117.7394 64.4254 71.2112 176.2278 47 V 3.9423 7.6600 119.4649 64.7072 31.6680 177.6733 48 F 3.8434 8.2522 121.0339 60.5347 38.8474 175.3250 49 P 4.4010 0.0000 0.0000 66.2415 31.3562 178.2944 50 M 4.0805 7.6337 113.6479 57.7004 30.8665 178.2823 51 A 3.8903 7.8151 121.2684 55.1685 18.8877 179.3684 52 I 3.7966 7.4762 118.2067 64.3781 36.9553 178.6379 53 L 4.1722 7.6999 119.7081 57.7780 41.4575 179.7859 54 G 3.7511 8.1308 105.1474 47.1462 0.0000 175.6855 55 F 4.2427 8.0875 122.7099 61.4981 39.3111 177.1475 56 A 3.7554 8.0141 118.2053 54.8432 18.3535 179.1190 57 L 4.0644 7.5602 116.5474 57.7395 40.6375 179.0688 58 S 4.2214 7.9947 112.2167 60.0097 62.6142 175.3022 59 E 3.7613 8.1485 121.7165 57.9547 29.1302 178.1794 60 A 3.6575 7.3351 121.0729 55.7044 18.0481 179.7061 61 T 4.0999 7.5743 108.1959 64.3305 68.4686 175.6785 62 G 3.7313 7.5805 106.0568 45.0746 0.0000 174.4020 63 L 4.4444 7.6665 121.0549 56.3652 43.1362 178.4475 64 F 4.3454 7.4879 116.9406 61.1305 38.7898 177.5386 65 C 4.3079 7.6014 114.0631 62.2837 28.1849 175.5940 66 L 4.0792 7.7626 122.0243 58.1574 41.8869 178.5037 67 M 4.4861 8.3740 118.8862 58.1648 31.6764 178.8254 68 V 3.6955 7.6130 117.8892 65.8480 31.7986 177.9253 69 S 4.1645 7.5998 113.5442 61.3162 62.8989 176.4825 70 F 4.5606 7.8601 120.6822 59.7872 38.7602 176.5330 71 L 4.4550 7.9044 117.0897 54.9603 41.1963 177.7351 72 L 4.7640 7.7200 117.3610 53.8821 43.9486 176.7703 73 L 4.3170 7.9818 115.9637 55.8221 43.5528 177.4158 74 F 5.1859 8.2312 113.3450 56.8645 41.0306 175.3780 75 G 3.8536 8.2264 107.3849 44.7279 0.0000 173.4470 76 V 3.6728 5.4500 122.0610 63.3058 33.0308 170.6901 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 M 8.30 4.51 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 Q 8.45 4.40 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 3 L 7.88 4.07 0.00 1.65 1.71 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.69 3.79 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 0.83 0.00 0.00 0.90 0.00 0.00 5 L 7.86 3.91 0.00 1.75 1.86 0.86 1.24 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 6 A 8.01 4.19 1.43 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 0.00 0.00 0.00 7 A 7.64 4.07 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 3.85 0.00 1.33 1.76 0.00 1.40 0.00 0.00 1.46 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.56 7.81 9 Y 7.47 4.25 0.00 2.99 2.88 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 0.00 0.00 0.00 10 I 7.68 3.88 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 1.49 1.09 0.92 0.00 0.00 11 G 8.15 3.35 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 0.00 0.00 0.00 0.00 12 A 7.57 4.20 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.77 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.26 4.14 1.86 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 1.57 0.97 0.90 0.00 0.00 15 S 7.74 4.36 0.00 4.06 4.09 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 0.00 0.00 0.00 0.00 16 T 7.35 3.76 4.21 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 1.23 0.00 0.00 17 I 7.70 3.90 1.97 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 1.45 0.72 0.91 0.00 0.00 18 G 7.45 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 L 7.61 4.45 0.00 1.86 1.70 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.80 4.15 0.00 1.65 1.72 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.18 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.88 4.41 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.80 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 0.00 0.00 0.00 24 I 7.93 3.84 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.08 0.92 0.00 0.00 25 G 7.97 3.99 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 0.00 0.00 0.00 26 I 7.78 3.89 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.86 1.28 0.00 0.00 27 A 7.52 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.71 3.69 2.01 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 1.43 1.27 0.93 0.00 0.00 29 V 7.54 3.61 2.18 0.00 0.00 0.00 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 1.05 0.00 0.00 30 F 8.58 4.03 0.00 3.30 2.92 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 31 A 8.67 4.11 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 3.88 0.00 1.48 1.53 0.81 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.49 3.80 2.08 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.00 0.96 0.00 0.00 35 N 8.38 4.60 0.00 2.79 2.81 0.00 0.00 7.12 8.47 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 36 G 8.46 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 0.00 0.00 0.00 37 V 7.40 3.91 2.11 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 0.77 0.00 0.00 1.05 0.00 0.00 38 S 7.50 4.31 0.00 4.13 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 39 R 7.48 4.48 0.00 1.72 1.91 0.00 3.30 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 40 N 7.40 5.00 0.00 2.80 2.63 0.00 0.00 6.95 7.71 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 41 P 0.00 4.07 0.00 2.22 2.18 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 42 S 7.14 4.00 0.00 3.68 3.89 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 0.00 0.00 0.00 43 I 7.52 3.72 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.94 0.97 0.00 0.00 44 K 8.56 4.59 0.00 1.94 1.68 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.77 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.51 7.81 45 D 8.14 4.57 0.00 2.69 2.64 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 46 T 7.89 4.45 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 1.22 0.00 0.00 47 V 7.66 3.94 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 1.00 0.00 0.00 0.94 0.00 0.00 48 F 8.25 3.84 0.00 3.25 2.93 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 49 P 0.00 4.40 0.00 2.35 2.36 0.00 3.77 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 50 M 7.63 4.08 0.00 2.31 2.36 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.69 0.00 51 A 7.82 3.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.48 3.80 2.04 0.00 0.00 1.07 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 1.21 0.99 0.00 0.00 53 L 7.70 4.17 0.00 1.90 1.74 0.94 0.90 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 54 G 8.13 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.09 4.24 0.00 3.15 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 3.76 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.56 4.06 0.00 1.90 1.72 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.99 4.22 0.00 3.92 3.83 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 59 E 8.15 3.76 0.00 1.28 1.61 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 1.93 2.11 0.00 60 A 7.34 3.66 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.57 4.10 4.29 0.00 0.00 0.00 0.00 0.00 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 62 G 7.58 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 63 L 7.67 4.44 0.00 1.25 1.42 0.69 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 F 7.49 4.35 0.00 3.09 3.01 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 65 C 7.60 4.31 0.00 2.83 3.24 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 66 L 7.76 4.08 0.00 1.92 1.83 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.37 4.49 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.66 0.00 68 V 7.61 3.70 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 0.85 0.00 0.00 1.02 0.00 0.00 69 S 7.60 4.16 0.00 3.98 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 70 F 7.86 4.56 0.00 3.33 3.20 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 71 L 7.90 4.45 0.00 1.90 1.71 0.98 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.72 4.76 0.00 1.57 1.73 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.98 4.32 0.00 1.13 0.91 0.77 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.23 5.19 0.00 3.18 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 75 G 8.23 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 76 V 5.45 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 0.67 0.00 0.00 0.92 0.00 0.00