NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.5335 8.3349 116.8096 58.0464 64.5972 173.3842 8 D 4.7005 8.4975 123.4686 53.1027 42.0128 174.2586 9 F 5.2197 8.0664 114.3464 55.4551 41.9452 173.2999 10 V 4.4149 8.7140 119.3476 61.0805 34.5759 174.1679 11 V 4.7995 8.5609 127.1252 61.3651 33.7777 174.3668 12 I 4.9129 8.9182 128.4399 59.5423 40.6229 174.1870 13 K 4.8649 9.1476 129.9202 54.4728 33.9512 175.2184 14 A 4.4854 8.7768 130.4921 52.2560 18.8570 177.3841 15 L 4.6408 8.8721 122.6325 55.4171 42.4493 176.2971 16 E 4.6525 7.6628 115.6338 54.8660 32.4164 174.2873 17 D 4.4969 8.3563 119.0256 55.5040 41.3421 176.9235 18 G 3.8686 8.5529 109.1127 45.9626 0.0000 174.2650 19 V 3.9425 7.6215 119.7427 62.8818 33.0919 174.5962 20 N 5.2964 9.0841 123.0144 51.4228 41.9967 173.5265 21 V 4.5841 8.7037 124.3703 61.4289 33.5667 173.9649 22 I 4.5842 8.8741 130.1901 59.4035 39.4387 175.0728 23 G 4.3494 8.7134 114.7943 44.7855 0.0000 172.5459 24 L 5.4303 8.9327 125.9233 53.4269 43.8479 176.3524 25 T 4.5369 8.6496 114.1037 61.8776 69.3488 174.0521 26 R 4.0671 8.5341 126.4852 56.3474 29.6651 176.0359 27 G 3.8617 8.7678 110.7947 43.6628 0.0000 173.6769 28 A 4.2433 8.4398 122.1072 54.1568 18.5850 177.6370 29 D 5.0375 7.2875 113.0104 52.7741 43.3771 175.6995 30 T 4.7794 8.1331 118.1094 61.9426 71.3224 173.3418 31 R 4.4132 8.3847 121.8481 55.1524 33.6383 173.7348 32 F 5.3571 8.5058 118.8157 57.7470 38.9440 175.5001 33 H 4.9741 9.1622 118.9549 56.4169 30.7332 174.3797 34 H 4.7505 7.6965 118.0937 54.8111 33.3715 171.8205 35 S 4.8255 8.3794 120.2143 56.4358 64.3706 172.3872 36 E 4.4734 8.7691 129.1959 54.2334 30.9166 174.8228 37 K 4.5758 8.6172 129.2707 56.3840 33.4309 175.8486 38 L 4.7795 9.0115 127.0296 53.0749 44.8383 176.1157 39 D 4.8785 9.0798 124.0655 52.7900 42.8923 175.9957 40 K 4.0644 9.0895 122.0397 58.9385 32.2240 176.7634 41 G 4.0496 9.4362 116.2971 45.1751 0.0000 173.4852 42 E 4.2263 8.2602 119.7394 56.2790 30.7645 176.0703 43 V 4.9412 8.3094 122.3906 60.9933 34.1839 174.1944 44 L 4.7615 9.0112 129.7331 53.2536 44.8791 174.8439 45 I 5.0062 8.4928 126.3402 59.6676 39.0962 174.6851 46 A 4.7495 8.9830 129.2128 50.1109 21.9409 175.2713 47 Q 4.7981 8.6135 120.5869 54.9357 30.5313 175.6520 48 F 4.6816 8.2972 120.3215 57.8080 39.8500 175.1795 49 T 4.7019 9.0822 111.5462 60.0722 71.9997 173.9970 50 E 4.0546 8.9453 121.6311 59.3152 29.6077 177.1884 51 H 4.5897 7.9195 114.5723 56.0737 30.0616 174.1827 52 T 5.6869 8.3133 116.6692 61.0014 70.6172 174.6020 53 S 5.0140 9.1384 119.5075 57.9856 64.4557 173.6371 54 A 5.0801 7.9845 121.4838 50.9679 22.7355 175.0524 55 I 5.0158 8.6016 120.0726 59.3586 40.7260 174.7845 56 K 4.6309 9.2139 128.0569 54.5242 34.8629 174.6503 57 V 4.8374 8.3755 126.2598 61.0371 33.8427 174.3148 58 R 4.4621 8.8525 128.1689 55.5422 32.4780 174.9650 59 G 4.1076 9.0609 112.0842 43.7868 0.0000 172.7582 60 K 4.8862 9.2082 120.2663 56.0004 32.9041 175.5909 61 A 5.1512 8.4959 127.6073 50.6739 23.5507 173.6395 62 Y 4.7013 9.2445 121.3450 56.2030 40.6588 174.4749 63 I 5.0111 8.2194 127.5296 59.5703 40.5737 174.4140 64 Q 5.0998 9.0092 126.1760 54.3991 31.5741 174.9813 65 T 4.8142 8.6845 113.6283 59.5299 72.3082 174.5938 66 R 3.8067 8.5093 120.2886 59.2754 29.9930 176.7383 67 H 4.5812 7.9506 112.7457 55.6192 29.5282 174.1031 68 G 3.7323 7.0629 105.7244 44.0760 0.0000 173.0170 69 V 4.6472 7.9186 112.6316 60.4042 33.4369 175.7309 70 I 4.5088 8.4793 122.7963 59.5687 41.9234 172.8833 71 E 5.1138 8.5779 129.0291 54.3393 31.4952 175.4521 72 S 4.6122 8.6224 121.7339 58.0321 64.9617 172.9330 73 E 4.9080 8.5685 120.2164 54.3785 33.0257 176.2139 74 G 3.7212 8.6431 110.4856 45.9339 0.0000 173.5348 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 4.53 0.00 3.97 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 8 D 8.50 4.70 0.00 2.84 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 9 F 8.07 5.22 0.00 3.08 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 10 V 8.71 4.41 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 0.96 0.00 0.00 0.75 0.00 0.00 11 V 8.56 4.80 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 1.02 0.00 0.00 1.21 0.00 0.00 12 I 8.92 4.91 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 0.57 0.92 0.00 0.00 13 K 9.15 4.86 0.00 1.88 1.79 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.38 7.81 14 A 8.78 4.49 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 15 L 8.87 4.64 0.00 1.71 1.74 1.02 1.03 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 16 E 7.66 4.65 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 2.34 2.33 0.00 17 D 8.36 4.50 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 18 G 8.55 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 7.62 3.94 2.21 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 0.94 0.00 0.00 1.00 0.00 0.00 20 N 9.08 5.30 0.00 2.63 2.55 0.00 0.00 6.58 8.20 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 21 V 8.70 4.58 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 8.87 4.58 1.56 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.22 -0.19 0.00 0.00 23 G 8.71 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 0.00 0.00 0.00 0.00 24 L 8.93 5.43 0.00 1.95 1.72 1.19 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.65 4.54 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 1.37 0.00 0.00 26 R 8.53 4.07 0.00 1.90 1.98 0.00 3.40 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 27 G 8.77 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 28 A 8.44 4.24 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 7.29 5.04 0.00 2.64 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 30 T 8.13 4.78 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 31 R 8.38 4.41 0.00 1.73 1.96 0.00 2.78 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 1.56 1.66 0.00 32 F 8.51 5.36 0.00 2.95 2.89 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 33 H 9.16 4.97 0.00 3.17 3.50 0.00 5.77 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 7.70 4.75 0.00 3.22 2.99 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.38 4.83 0.00 3.71 3.58 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 36 E 8.77 4.47 0.00 2.19 1.80 0.00 0.00 0.00 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 2.27 0.00 37 K 8.62 4.58 0.00 1.77 1.67 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.45 7.81 38 L 9.01 4.78 0.00 1.54 1.51 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.08 4.88 0.00 2.75 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 9.09 4.06 0.00 1.63 1.83 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.41 7.81 41 G 9.44 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.26 4.23 0.00 2.11 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 2.25 0.00 43 V 8.31 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 9.01 4.76 0.00 1.75 1.46 0.91 0.82 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 8.49 5.01 1.80 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 1.31 0.79 0.84 0.00 0.00 46 A 8.98 4.75 1.14 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 47 Q 8.61 4.80 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 48 F 8.30 4.68 0.00 3.06 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 9.08 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 1.26 0.00 0.00 50 E 8.95 4.05 0.00 1.95 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 0.00 2.02 2.28 0.00 51 H 7.92 4.59 0.00 3.32 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.31 5.69 4.36 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 1.42 0.00 0.00 53 S 9.14 5.01 0.00 3.81 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 54 A 7.98 5.08 1.32 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 0.00 0.00 0.00 55 I 8.60 5.02 1.85 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.73 0.86 0.00 0.00 56 K 9.21 4.63 0.00 1.81 1.52 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.37 7.81 57 V 8.38 4.84 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 0.87 0.00 0.00 0.91 0.00 0.00 58 R 8.85 4.46 0.00 1.86 1.68 0.00 3.12 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 59 G 9.06 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 0.00 0.00 0.00 60 K 9.21 4.89 0.00 1.89 1.83 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.26 7.81 61 A 8.50 5.15 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 62 Y 9.24 4.70 0.00 3.04 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 63 I 8.22 5.01 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 0.64 0.92 0.00 0.00 64 Q 9.01 5.10 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 65 T 8.68 4.81 4.12 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 1.16 0.00 0.00 66 R 8.51 3.81 0.00 1.61 1.77 0.00 3.20 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 67 H 7.95 4.58 0.00 3.21 3.29 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 7.06 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 69 V 7.92 4.65 1.65 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 0.68 0.00 0.00 0.73 0.00 0.00 70 I 8.48 4.51 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 1.08 1.12 0.84 0.00 0.00 71 E 8.58 5.11 0.00 1.90 1.77 0.00 0.00 0.00 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 2.49 0.00 72 S 8.62 4.61 0.00 4.12 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 8.57 4.91 0.00 1.82 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 8.64 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00