NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 T 4.3748 8.1593 110.9393 62.5976 69.9714 173.9732 11 K 4.5052 8.1759 110.4125 56.2449 33.4171 172.6219 12 N 4.9935 8.1289 118.4852 54.6132 45.6446 177.6015 13 G 4.0270 7.9231 107.7152 45.3929 0.0000 172.5415 14 R 4.6702 7.2982 118.8179 54.6159 34.7706 174.6765 15 D 4.5220 8.0036 117.8527 53.7940 43.8174 176.2327 16 S 4.2858 8.7983 122.3096 57.5582 63.7694 174.0308 17 Q 4.0569 8.6696 122.6096 55.6731 28.6711 176.2362 18 A 4.0795 8.3481 121.4300 52.5702 18.6933 177.9559 19 K 4.1295 8.6824 121.8069 56.4158 33.3364 176.7903 20 R 3.7808 7.7868 116.7951 56.9275 26.7919 174.7635 21 L 4.6369 7.3970 118.2134 53.1697 45.2424 174.8619 22 G 3.6966 8.3208 105.2198 44.8184 0.0000 172.3065 23 V 3.3906 7.9562 120.6482 62.5924 31.5860 176.8547 24 K 4.1943 8.4121 127.1364 57.6496 32.8502 177.3751 25 R 4.8532 7.8926 116.0431 54.3886 32.9097 174.5366 26 Y 5.0413 9.6083 118.9153 55.6173 41.0271 175.5402 27 E 4.8294 8.7397 122.4047 57.6719 30.0693 177.0581 28 G 4.0618 9.3657 114.5347 45.7532 0.0000 172.5151 29 Q 4.7962 7.9532 116.8766 53.4609 32.4482 175.2276 30 V 4.3441 8.3944 122.5124 63.0484 32.2957 175.6712 31 V 4.5311 8.5801 119.2793 59.2254 35.4883 176.2327 32 R 4.7128 8.9025 125.1036 55.7655 29.3796 177.6604 33 A 4.9517 8.0808 130.2754 54.2473 20.1389 175.4451 34 G 4.0581 8.5511 109.1129 45.8301 0.0000 172.7157 35 N 4.3861 8.3142 118.7991 53.0939 39.5750 174.0809 36 I 3.8531 8.5543 125.2515 61.9301 36.4944 176.0780 37 L 4.0857 9.0023 127.4492 57.1497 42.2474 177.3797 38 V 4.5174 7.3627 116.8323 61.5631 35.2332 172.7898 39 R 4.7984 8.3871 126.4701 55.2705 31.2888 175.6177 40 Q 4.5545 8.5645 121.1673 54.4959 31.5614 174.6547 41 R 4.0384 8.9996 118.8790 57.1717 31.0200 178.8076 42 G 3.1773 7.5938 111.2592 46.6758 0.0000 174.4562 43 T 4.5675 7.6048 117.3196 61.2904 70.2858 175.4891 44 R 3.9343 8.2128 121.7327 58.4897 30.5389 177.1808 45 F 4.7552 9.2322 116.7001 55.5690 42.1521 174.9066 46 K 4.3247 8.4083 123.7779 54.0999 33.4614 176.6628 47 P 4.6638 0.0000 0.0000 62.3094 33.0493 174.0155 48 G 4.0025 8.1268 105.4461 44.4962 0.0000 173.3220 49 K 3.7784 8.4564 126.0632 57.6727 31.7586 176.3107 50 N 4.2384 8.8890 122.9019 53.9770 35.4902 174.1996 51 V 4.7061 7.2477 116.6356 60.3550 35.1707 174.1833 52 G 4.0694 7.8203 113.3908 44.4528 0.0000 170.2885 53 M 5.9921 7.8587 116.1334 52.4104 34.5274 175.1675 54 G 4.3041 8.3835 107.8813 45.0504 0.0000 173.8559 55 R 3.8000 8.6909 118.1837 59.5252 30.2778 178.0642 56 D 4.7969 7.9040 114.0863 53.3049 39.3163 176.0175 57 F 3.8719 7.4138 115.3958 59.2790 37.0580 175.3056 58 T 4.1700 7.8425 118.2821 63.8176 69.4662 173.4105 59 L 5.0962 8.9184 126.8679 53.3454 43.7029 175.7167 60 F 5.5682 7.9362 117.0584 55.3631 42.2385 173.0929 61 A 4.6001 8.8193 121.2966 51.6585 19.5755 178.0329 62 L 4.6964 8.8170 120.2134 55.0436 42.8553 177.0092 63 V 4.4810 7.4322 112.7410 60.0711 34.6350 173.2071 64 D 5.4740 7.8780 120.2195 52.7293 44.7151 173.5841 65 G 4.2933 7.3614 114.9622 46.4112 0.0000 172.8473 66 V 5.6000 7.6727 123.6371 60.0537 34.9273 174.5073 67 V 4.4794 8.2531 125.6679 62.4563 33.1065 174.4877 68 E 5.0785 9.0455 124.3603 54.8592 33.1334 174.2882 69 F 5.1310 9.1570 120.3330 56.5294 41.7681 176.1224 70 Q 4.4574 8.8630 122.1486 55.5011 31.1413 172.2126 71 D 4.6823 8.6668 126.2892 53.3032 42.2665 176.5200 72 R 4.6404 8.5982 124.9345 59.2262 32.3446 178.4193 73 G 3.4876 8.2646 106.7435 45.9129 0.0000 175.5635 74 R 3.7805 9.4221 123.0381 59.5131 30.4244 177.3769 75 L 4.0628 7.7849 116.0171 58.4876 41.9744 178.2505 76 G 4.2105 6.7170 102.7856 43.5925 0.0000 172.7339 77 R 4.6991 7.5783 119.7810 55.1907 29.3108 175.9954 78 Y 4.7304 8.7953 120.9002 57.6174 39.7984 174.4996 79 V 4.6218 8.5068 121.0670 61.8157 34.8171 174.1514 80 H 5.1619 9.0880 124.0958 54.2090 33.2272 171.8583 81 V 4.8396 8.3134 118.2793 61.8971 34.4106 175.7655 82 R 4.5256 8.9404 125.8351 53.9027 30.1461 173.7792 83 P 5.3009 0.0000 0.0000 62.6942 31.8934 175.6587 84 L 4.4879 8.1723 119.7027 55.5728 42.8291 174.3138 85 A 4.1106 8.4447 122.6279 53.0935 18.9215 176.3055 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 10 T 8.16 4.37 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 11 K 8.18 4.51 0.00 1.92 1.81 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.52 7.81 12 N 8.13 4.99 0.00 2.68 2.83 0.00 0.00 7.20 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 13 G 7.92 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 0.00 0.00 0.00 14 R 7.30 4.67 0.00 1.75 1.78 0.00 3.29 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 15 D 8.00 4.52 0.00 2.61 2.52 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 16 S 8.80 4.29 0.00 4.02 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 17 Q 8.67 4.06 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 18 A 8.35 4.08 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 19 K 8.68 4.13 0.00 1.77 1.89 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.41 7.81 20 R 7.79 3.78 0.00 1.96 1.97 0.00 3.20 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 21 L 7.40 4.64 0.00 1.61 1.84 0.89 1.12 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 22 G 8.32 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 0.00 0.00 0.00 23 V 7.96 3.39 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.68 0.00 0.00 24 K 8.41 4.19 0.00 2.01 1.80 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.36 7.81 25 R 7.89 4.85 0.00 1.75 1.77 0.00 3.15 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 26 Y 9.61 5.04 0.00 2.87 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 27 E 8.74 4.83 0.00 2.59 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 0.00 2.43 2.62 0.00 28 G 9.37 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.95 4.80 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.06 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 30 V 8.39 4.34 2.10 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 0.79 0.00 0.00 0.95 0.00 0.00 31 V 8.58 4.53 2.10 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 0.81 0.00 0.00 1.01 0.00 0.00 32 R 8.90 4.71 0.00 2.09 1.69 0.00 3.23 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 33 A 8.08 4.95 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 34 G 8.55 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.31 4.39 0.00 2.69 2.80 0.00 0.00 7.09 7.28 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 36 I 8.55 3.85 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.46 0.99 0.00 0.00 37 L 9.00 4.09 0.00 1.62 1.57 0.80 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.36 4.52 1.87 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 0.82 0.00 0.00 0.65 0.00 0.00 39 R 8.39 4.80 0.00 1.86 1.86 0.00 3.12 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 40 Q 8.56 4.55 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.13 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 41 R 9.00 4.04 0.00 1.79 1.86 0.00 3.19 0.00 0.00 3.23 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 42 G 7.59 3.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.60 4.57 4.07 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 1.12 0.00 0.00 44 R 8.21 3.93 0.00 2.00 2.04 0.00 3.16 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 45 F 9.23 4.76 0.00 2.85 2.90 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 0.00 0.00 0.00 46 K 8.41 4.32 0.00 0.79 1.04 0.00 0.62 0.00 0.00 1.23 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.12 0.93 7.81 47 P 0.00 4.66 0.00 2.15 1.86 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 48 G 8.13 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 3.78 0.00 1.80 1.76 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.42 1.17 7.81 50 N 8.89 4.24 0.00 2.91 2.91 0.00 0.00 6.42 7.68 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 51 V 7.25 4.71 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 1.10 0.00 0.00 0.96 0.00 0.00 52 G 7.82 4.07 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 0.00 53 M 7.86 5.99 0.00 1.98 2.08 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 2.46 2.35 0.00 54 G 8.38 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 0.00 0.00 0.00 0.00 55 R 8.69 3.80 0.00 1.81 1.88 0.00 3.07 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 56 D 7.90 4.80 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.41 3.87 0.00 3.22 3.17 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 0.00 58 T 7.84 4.17 4.38 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 1.35 0.00 0.00 59 L 8.92 5.10 0.00 1.71 1.48 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.94 5.57 0.00 3.11 3.09 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 61 A 8.82 4.60 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 62 L 8.82 4.70 0.00 1.65 1.75 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.43 4.48 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 0.96 0.00 0.00 0.94 0.00 0.00 64 D 7.88 5.47 0.00 2.73 2.53 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 65 G 7.36 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 0.00 0.00 0.00 0.00 66 V 7.67 5.60 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 1.25 0.00 0.00 0.95 0.00 0.00 67 V 8.25 4.48 2.31 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 0.71 0.00 0.00 0.91 0.00 0.00 68 E 9.05 5.08 0.00 2.08 2.00 0.00 0.00 0.00 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 2.34 0.00 69 F 9.16 5.13 0.00 2.96 3.11 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 70 Q 8.86 4.46 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 71 D 8.67 4.68 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.60 4.64 0.00 2.12 1.81 0.00 3.13 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 73 G 8.26 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 9.42 3.78 0.00 1.83 2.05 0.00 3.40 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 75 L 7.78 4.06 0.00 1.94 1.95 0.85 0.96 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 76 G 6.72 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 0.00 0.00 0.00 0.00 77 R 7.58 4.70 0.00 1.38 1.54 0.00 2.94 0.00 0.00 2.91 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.46 0.00 78 Y 8.80 4.73 0.00 2.93 3.02 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 0.00 0.00 0.00 79 V 8.51 4.62 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 0.03 0.00 0.00 1.01 0.00 0.00 80 H 9.09 5.16 0.00 3.00 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.31 4.84 2.07 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 0.79 0.00 0.00 0.89 0.00 0.00 82 R 8.94 4.53 0.00 1.93 2.10 0.00 2.85 0.00 0.00 3.39 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 83 P 0.00 5.30 0.00 2.10 2.10 0.00 3.39 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 84 L 8.17 4.49 0.00 1.59 1.63 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.44 4.11 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