NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4608 8.3349 115.3030 57.8665 63.7777 173.4304 8 D 4.6929 8.4680 126.5511 52.8516 42.2007 173.9986 9 F 5.3188 8.6882 115.4354 55.7736 42.0045 173.4823 10 V 4.6033 8.8697 111.7986 59.5653 35.5370 174.9532 11 V 4.7170 8.6938 124.2437 61.5302 33.6345 174.6258 12 I 4.9385 8.9822 128.3498 59.6060 40.7176 174.0524 13 K 4.9327 8.9370 129.5518 54.4493 34.0634 175.2442 14 A 4.4424 9.0413 130.6944 52.1593 18.9886 177.3824 15 L 4.6422 8.8251 122.8473 55.0795 42.4296 175.9401 16 E 4.7064 7.5267 115.9095 55.6879 32.1758 174.6847 17 D 4.4618 8.7172 119.7135 55.2724 41.4615 176.6939 18 G 3.8752 8.4909 108.9719 46.3109 0.0000 174.2253 19 V 3.9353 7.5845 119.5171 62.7720 33.0843 174.5720 20 N 5.2929 9.0386 123.5858 51.4914 41.6282 173.4876 21 V 4.3320 8.8495 125.1150 61.4057 33.4061 174.3041 22 I 4.6885 8.9000 129.8933 59.4070 39.7581 174.8791 23 G 4.2542 8.6757 114.5134 44.7556 0.0000 172.4969 24 L 5.4877 8.8080 125.7107 53.1548 44.1960 176.1869 25 T 4.5885 8.7290 114.0949 61.5578 69.2486 174.3666 26 R 4.1506 8.2127 127.3135 56.7693 30.3087 175.5204 27 G 3.7420 8.7058 109.7565 44.0991 0.0000 173.8215 28 A 4.1485 8.5512 121.6522 54.0522 18.7275 177.6589 29 D 4.9495 7.2465 111.9020 52.8520 42.9480 176.0041 30 T 4.7638 8.2711 118.7099 62.0459 71.0024 173.2617 31 R 4.5334 8.4276 121.2134 54.9056 33.6985 173.8732 32 F 5.3484 8.4258 118.6332 57.6451 39.1133 175.5337 33 H 5.0164 9.1052 118.0894 56.1849 30.8639 173.8046 34 H 4.8013 7.7218 117.7311 54.7699 33.4622 172.0501 35 S 4.8758 8.2244 119.1146 56.5098 64.7709 172.5628 36 E 4.4704 9.1201 130.2505 54.8429 30.6589 175.0370 37 K 4.7987 8.6225 127.1721 55.9503 33.4415 176.3166 38 L 4.9775 9.0596 124.7435 53.1453 44.5580 175.6746 39 D 4.9934 9.4399 123.2928 52.3583 43.2976 175.9928 40 K 4.0509 8.5122 121.8311 58.7945 32.3195 176.9158 41 G 4.0327 9.3790 115.7835 45.1267 0.0000 173.5195 42 E 4.2412 8.4529 120.0648 56.2492 30.7961 176.0084 43 V 4.8577 8.3004 122.3096 60.9952 34.1640 174.2370 44 L 4.7687 9.0245 129.6742 53.2274 44.9463 174.8574 45 I 5.0112 8.4462 126.0879 59.5519 39.4716 174.7335 46 A 4.6560 9.0049 129.0186 50.2180 22.1475 175.5856 47 Q 4.9015 8.6531 121.2451 54.8914 30.7607 175.2405 48 F 4.8155 8.4917 119.4697 57.4517 39.3625 175.5716 49 T 4.7149 9.1308 111.2196 60.1420 71.9594 174.2421 50 E 4.0661 8.8872 121.5270 59.0675 29.7088 177.0066 51 H 4.6786 7.8489 111.5455 55.9839 30.1444 174.2266 52 T 5.7494 9.4812 117.9994 60.7398 70.8320 174.4976 53 S 4.9588 8.9021 118.3570 57.7580 65.1589 173.0470 54 A 4.9573 7.8817 121.0529 51.3384 22.4251 175.4541 55 I 4.9963 8.5719 121.5463 59.3152 41.0150 174.7558 56 K 4.5829 9.0568 127.4528 54.4654 35.3178 174.6138 57 V 4.8120 8.4031 126.3577 61.2198 33.6309 174.4958 58 R 4.4746 8.7085 127.2227 55.5824 32.4518 176.2327 59 G 4.0400 8.9522 109.0624 43.9200 0.0000 172.3177 60 K 5.1137 9.2668 119.8372 55.2702 32.6266 175.6422 61 A 5.1496 8.5816 128.9925 50.4075 23.4850 173.6675 62 Y 4.6862 8.7606 121.3330 56.4088 40.4950 174.3848 63 I 4.9888 8.3780 127.9253 59.5681 40.3133 174.4995 64 Q 5.1050 8.9363 125.8189 54.3202 31.6454 174.9073 65 T 4.8524 8.7527 113.3938 59.2127 72.3339 174.5556 66 R 3.8481 8.5521 120.8711 59.8012 29.7307 176.4212 67 H 4.6084 8.0814 112.2841 55.3252 29.4576 173.8271 68 G 3.7025 7.5039 106.4293 43.9891 0.0000 172.0729 69 V 4.5923 8.1188 119.6529 61.2874 33.0151 176.3757 70 I 4.6184 8.5996 127.4048 59.2346 41.6620 173.3719 71 E 5.1287 8.7267 127.2830 54.6640 31.7319 175.3817 72 S 4.7311 8.8620 118.9018 57.1986 65.3738 172.6969 73 E 4.9814 8.7527 121.9318 54.5707 31.5622 175.7721 74 G 3.9617 9.1131 112.9332 44.7561 0.0000 173.7853 75 K 5.0584 7.7635 120.6029 55.3635 31.4440 175.7372 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 4.46 0.00 3.92 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 8.47 4.69 0.00 2.89 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 9 F 8.69 5.32 0.00 3.01 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 10 V 8.87 4.60 2.04 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 0.55 0.00 0.00 0.85 0.00 0.00 11 V 8.69 4.72 2.19 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 1.05 0.00 0.00 1.20 0.00 0.00 12 I 8.98 4.94 1.87 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 1.10 0.68 0.92 0.00 0.00 13 K 8.94 4.93 0.00 1.90 1.78 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.38 7.81 14 A 9.04 4.44 1.35 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 15 L 8.83 4.64 0.00 1.70 1.73 0.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.53 4.71 0.00 1.92 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 2.15 2.30 0.00 17 D 8.72 4.46 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 8.49 3.88 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 0.00 0.00 0.00 19 V 7.58 3.94 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 0.92 0.00 0.00 1.02 0.00 0.00 20 N 9.04 5.29 0.00 2.63 2.60 0.00 0.00 6.57 7.35 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 21 V 8.85 4.33 2.16 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 1.00 0.00 0.00 0.90 0.00 0.00 22 I 8.90 4.69 1.64 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.49 0.17 0.00 0.00 23 G 8.68 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 0.00 0.00 0.00 0.00 24 L 8.81 5.49 0.00 1.72 1.74 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.73 4.59 4.28 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 1.35 0.00 0.00 26 R 8.21 4.15 0.00 1.85 2.00 0.00 3.24 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 1.64 1.44 0.00 27 G 8.71 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 4.15 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 29 D 7.25 4.95 0.00 2.69 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 30 T 8.27 4.76 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 8.43 4.53 0.00 1.78 1.93 0.00 2.77 0.00 0.00 3.17 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 32 F 8.43 5.35 0.00 2.90 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 33 H 9.11 5.02 0.00 3.16 3.48 0.00 5.76 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 7.72 4.80 0.00 3.20 3.02 0.00 5.61 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 8.22 4.88 0.00 3.79 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 9.12 4.47 0.00 2.21 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 2.25 2.33 0.00 37 K 8.62 4.80 0.00 1.67 1.71 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.44 7.81 38 L 9.06 4.98 0.00 1.51 1.53 0.92 0.97 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 39 D 9.44 4.99 0.00 2.71 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 4.05 0.00 1.68 1.85 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.42 7.81 41 G 9.38 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 42 E 8.45 4.24 0.00 1.98 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 0.00 2.32 2.38 0.00 43 V 8.30 4.86 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 0.94 0.00 0.00 44 L 9.02 4.77 0.00 1.74 1.45 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.45 5.01 1.74 0.00 0.00 0.78 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 0.76 0.57 0.00 0.00 46 A 9.00 4.66 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 8.65 4.90 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 48 F 8.49 4.82 0.00 3.01 2.94 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 49 T 9.13 4.71 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 50 E 8.89 4.07 0.00 1.93 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 2.11 2.28 0.00 51 H 7.85 4.68 0.00 3.23 3.24 0.00 5.80 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 9.48 5.75 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 1.44 0.00 0.00 53 S 8.90 4.96 0.00 3.85 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 54 A 7.88 4.96 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 5.00 1.84 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.69 0.88 0.00 0.00 56 K 9.06 4.58 0.00 1.70 1.41 0.00 1.56 0.00 0.00 1.44 0.00 0.00 2.69 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.15 1.27 7.81 57 V 8.40 4.81 2.05 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 0.90 0.00 0.00 0.90 0.00 0.00 58 R 8.71 4.47 0.00 1.75 1.77 0.00 3.10 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 59 G 8.95 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 60 K 9.27 5.11 0.00 1.87 1.73 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.26 7.81 61 A 8.58 5.15 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 8.76 4.69 0.00 3.08 2.85 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 63 I 8.38 4.99 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 1.20 0.62 0.90 0.00 0.00 64 Q 8.94 5.10 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 65 T 8.75 4.85 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 1.17 0.00 0.00 66 R 8.55 3.85 0.00 1.60 1.77 0.00 3.19 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 67 H 8.08 4.61 0.00 3.16 3.26 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 7.50 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 69 V 8.12 4.59 1.98 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 0.26 0.00 0.00 0.89 0.00 0.00 70 I 8.60 4.62 1.81 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 1.19 1.41 0.85 0.00 0.00 71 E 8.73 5.13 0.00 1.87 1.86 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 2.23 2.23 0.00 72 S 8.86 4.73 0.00 3.94 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 73 E 8.75 4.98 0.00 1.85 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 2.22 2.29 0.00 74 G 9.11 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 75 K 7.76 5.06 0.00 1.77 1.70 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.56 7.81