NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4882 8.3349 115.3046 57.7565 63.8150 173.3000 8 D 4.6901 8.4525 124.6683 52.8385 42.0591 174.2384 9 F 5.2446 8.7164 115.6882 55.4763 42.1031 173.5783 10 V 4.5228 8.7352 111.7589 59.4994 35.4564 174.9089 11 V 4.8589 8.7646 123.8366 61.2973 34.0702 174.4259 12 I 4.9423 8.8991 128.1587 59.4321 40.5662 174.0554 13 K 4.9473 9.3352 129.0237 54.2889 34.4054 175.0589 14 A 4.4629 8.8493 130.1134 52.1254 19.2450 177.4551 15 L 4.7729 9.0573 121.7239 54.4983 42.8006 175.8086 16 E 4.6626 7.6956 115.6491 54.9219 32.4350 174.2926 17 D 4.5280 8.3931 119.0913 55.3366 41.4549 176.7485 18 G 3.8642 8.6493 108.4783 46.1315 0.0000 174.0817 19 V 3.8601 7.5078 119.7626 62.9237 32.8628 174.4864 20 N 5.3352 9.1501 125.0924 51.4718 41.2938 173.6491 21 V 4.5935 8.8004 124.6208 61.4096 33.5982 174.1858 22 I 4.6058 8.8041 130.1403 59.3839 39.5313 175.1076 23 G 4.1780 8.7307 115.0180 45.1736 0.0000 172.3520 24 L 5.4831 8.8063 125.4628 52.8689 44.0538 176.3061 25 T 4.4707 8.8221 114.5884 62.0045 69.3127 174.0297 26 R 4.3888 7.5984 125.4811 56.3533 30.9539 175.5633 27 G 3.7566 8.6423 110.3090 44.0190 0.0000 172.9900 28 A 4.1073 8.5196 121.7430 54.1871 18.7096 177.7474 29 D 4.8988 7.8271 114.4877 53.0547 42.8376 175.9990 30 T 4.7508 8.2377 118.3103 62.0734 71.1509 173.2302 31 R 4.5882 8.7282 122.1641 54.7417 33.7259 173.9947 32 F 5.2883 8.5368 118.9326 57.8346 39.0014 175.4297 33 H 4.9497 8.9365 118.8239 56.4526 30.3739 174.3379 34 H 4.7093 7.6126 117.0199 55.0949 33.2835 172.2490 35 S 4.7601 8.2258 119.2835 56.4195 64.6362 172.4490 36 E 4.3330 8.9654 130.0530 55.1099 30.7908 174.7785 37 K 4.8150 8.6069 128.7313 55.4920 33.5825 175.3647 38 L 4.9516 9.0488 127.5808 53.1916 44.6221 176.1333 39 D 5.0598 9.2766 123.8587 52.2679 43.5281 175.8919 40 K 3.9857 8.9898 121.9721 58.4367 32.2548 176.9539 41 G 4.0086 9.0585 115.7246 45.0774 0.0000 173.4534 42 E 4.2791 8.1474 119.7026 56.1709 30.8643 175.9511 43 V 4.9435 8.2907 122.0549 60.9954 34.2967 174.2370 44 L 4.7852 8.9460 129.3991 53.2378 44.9427 174.7956 45 I 4.9960 8.4888 126.1923 59.5250 39.5319 174.6862 46 A 4.6958 8.9346 128.9189 50.1499 21.7699 175.4896 47 Q 4.7744 8.6595 121.3079 55.0522 30.4043 175.7315 48 F 4.7248 8.4049 120.1579 57.9112 39.7453 175.3019 49 T 4.7027 8.9408 111.0948 60.2351 71.8612 174.0286 50 E 4.0881 8.9080 121.1494 59.1779 29.5572 177.0837 51 H 4.6563 7.8533 114.4676 55.9483 29.8942 174.1245 52 T 5.1738 7.9846 116.3521 61.9954 71.4633 174.2595 53 S 4.9542 8.9863 119.8095 57.9358 64.8410 173.4172 54 A 5.0105 7.8581 121.1750 51.2428 22.5291 175.2401 55 I 5.0271 8.5416 120.3443 59.3888 41.0352 174.6935 56 K 4.6165 9.1306 128.0030 54.4794 35.0135 174.6032 57 V 4.8135 8.3804 126.2805 61.0442 33.7992 174.3818 58 R 4.4938 8.9331 127.8884 55.4178 32.8180 174.8210 59 G 4.1438 9.0670 111.9024 43.8595 0.0000 172.6877 60 K 4.5070 9.3587 121.1975 56.2062 33.1767 175.6419 61 A 5.0933 8.8517 127.9650 50.8959 23.5134 173.7579 62 Y 4.8704 9.1135 122.0347 56.0420 40.8679 174.5361 63 I 5.0783 8.3061 127.2712 59.5668 40.7163 174.5114 64 Q 5.0373 9.1519 125.2410 54.4144 32.3005 174.8214 65 T 4.6363 8.4693 112.8348 59.6703 72.3191 174.5653 66 R 3.8314 8.4775 120.2014 59.2770 30.0603 176.7137 67 H 4.6314 8.0579 113.0631 55.4326 29.5592 174.0441 68 G 3.7020 7.0212 106.1005 44.0771 0.0000 172.5847 69 V 4.5697 8.0009 119.5965 61.7141 33.1106 176.3496 70 I 4.6305 8.4108 125.7548 59.5443 42.0370 173.1082 71 E 5.1782 8.5643 125.5707 54.4926 32.4212 175.8265 72 S 4.6813 8.5840 118.4674 57.6426 65.2771 172.8928 73 E 4.9020 8.6038 120.1797 54.6876 32.7523 176.2641 74 G 3.9498 8.5481 112.3929 44.0254 0.0000 173.8968 75 K 4.1547 8.3934 117.4520 56.6777 32.0631 177.4070 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 4.49 0.00 3.93 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 8 D 8.45 4.69 0.00 2.98 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 9 F 8.72 5.24 0.00 2.95 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 10 V 8.74 4.52 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 0.48 0.00 0.00 0.79 0.00 0.00 11 V 8.76 4.86 2.17 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 1.14 0.00 0.00 1.18 0.00 0.00 12 I 8.90 4.94 1.88 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 1.10 0.49 0.92 0.00 0.00 13 K 9.34 4.95 0.00 1.81 1.74 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.36 7.81 14 A 8.85 4.46 1.38 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 0.00 0.00 15 L 9.06 4.77 0.00 1.59 1.71 0.99 0.87 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 16 E 7.70 4.66 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 2.18 2.33 0.00 17 D 8.39 4.53 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 8.65 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 19 V 7.51 3.86 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 0.87 0.00 0.00 1.02 0.00 0.00 20 N 9.15 5.34 0.00 2.61 2.59 0.00 0.00 6.26 8.39 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 21 V 8.80 4.59 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 1.00 0.00 0.00 0.90 0.00 0.00 22 I 8.80 4.61 1.38 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.35 -0.25 0.00 0.00 23 G 8.73 4.18 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 24 L 8.81 5.48 0.00 1.89 1.71 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.82 4.47 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 1.40 0.00 0.00 26 R 7.60 4.39 0.00 1.85 1.97 0.00 3.22 0.00 0.00 3.07 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.00 27 G 8.64 3.76 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 0.00 0.00 0.00 28 A 8.52 4.11 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 7.83 4.90 0.00 2.68 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 30 T 8.24 4.75 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 1.26 0.00 0.00 31 R 8.73 4.59 0.00 1.80 1.95 0.00 2.77 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 32 F 8.54 5.29 0.00 2.95 2.86 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 33 H 8.94 4.95 0.00 3.16 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 7.61 4.71 0.00 3.33 3.11 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 8.23 4.76 0.00 3.73 3.60 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 36 E 8.97 4.33 0.00 2.17 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 2.28 2.30 0.00 37 K 8.61 4.82 0.00 1.78 1.67 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.45 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 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.28 5.06 0.00 2.57 2.75 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 40 K 8.99 3.99 0.00 1.74 1.73 0.00 1.78 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 1.44 7.81 41 G 9.06 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 42 E 8.15 4.28 0.00 2.02 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 8.29 4.94 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 0.80 0.00 0.00 0.94 0.00 0.00 44 L 8.95 4.79 0.00 1.75 1.45 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.49 5.00 1.78 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 0.77 0.00 0.00 46 A 8.93 4.70 1.13 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 47 Q 8.66 4.77 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 48 F 8.40 4.72 0.00 3.03 2.96 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 49 T 8.94 4.70 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 1.29 0.00 0.00 50 E 8.91 4.09 0.00 1.94 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 2.09 2.27 0.00 51 H 7.85 4.66 0.00 3.39 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.98 5.17 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 1.39 0.00 0.00 53 S 8.99 4.95 0.00 3.80 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 54 A 7.86 5.01 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 55 I 8.54 5.03 1.89 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.79 0.85 0.00 0.00 56 K 9.13 4.62 0.00 1.74 1.43 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.35 7.81 57 V 8.38 4.81 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 0.82 0.00 0.00 0.90 0.00 0.00 58 R 8.93 4.49 0.00 1.86 1.68 0.00 3.12 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 59 G 9.07 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.36 4.51 0.00 1.85 1.72 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.85 5.09 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.11 4.87 0.00 3.03 2.79 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 0.00 0.00 0.00 63 I 8.31 5.08 1.94 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 0.60 0.90 0.00 0.00 64 Q 9.15 5.04 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.52 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 65 T 8.47 4.64 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 1.16 0.00 0.00 66 R 8.48 3.83 0.00 1.60 1.78 0.00 3.19 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 67 H 8.06 4.63 0.00 3.19 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 7.02 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 8.00 4.57 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 0.07 0.00 0.00 0.87 0.00 0.00 70 I 8.41 4.63 1.80 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 1.18 1.14 0.84 0.00 0.00 71 E 8.56 5.18 0.00 1.83 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 2.24 2.06 0.00 72 S 8.58 4.68 0.00 3.93 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 8.60 4.90 0.00 1.83 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 2.28 0.00 74 G 8.55 3.95 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 0.00 0.00 0.00 75 K 8.39 4.15 0.00 1.76 1.75 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.44 7.81