NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.5041 8.3349 116.8101 57.9950 64.4736 172.8047 8 D 4.7326 8.3679 121.6707 53.0853 42.0292 174.4078 9 F 5.2907 8.7995 114.8725 55.6896 41.7210 173.6732 10 V 4.5315 8.8948 112.9842 59.5841 35.1426 174.7521 11 V 4.8111 8.4880 124.0687 61.4090 33.6945 174.4961 12 I 4.9580 9.0321 128.4663 59.4498 40.8527 174.0596 13 K 4.9940 9.0704 129.1264 54.3277 34.2495 175.0827 14 A 4.4165 8.7129 130.5210 52.0507 19.2354 177.3366 15 L 4.6783 8.8578 122.3433 54.2615 42.5434 175.8265 16 E 4.6494 7.6191 115.6691 55.2894 31.9786 174.5154 17 D 4.5002 8.3982 119.3063 55.5157 41.3790 176.6988 18 G 3.8527 8.4604 108.9160 46.0747 0.0000 174.0374 19 V 3.8632 7.5732 119.6582 62.9032 32.9360 174.5356 20 N 5.3049 8.9598 124.8540 51.5974 41.0695 173.7193 21 V 4.5413 8.7060 125.3466 61.4892 33.2943 174.4060 22 I 4.6726 8.7490 129.8518 59.3369 39.8826 174.9374 23 G 4.0849 8.6177 114.7931 45.1536 0.0000 172.4881 24 L 5.4510 8.7803 126.3482 53.1572 43.9699 176.3638 25 T 4.5511 8.6980 114.3934 61.9188 69.1397 174.1852 26 R 4.3552 7.8918 126.6365 56.5464 29.8782 175.5952 27 G 3.7516 8.6541 109.8244 44.0635 0.0000 173.7982 28 A 4.1782 8.5181 121.7127 54.1083 18.7457 177.6958 29 D 4.8886 7.2564 112.7318 53.0139 42.6192 176.0891 30 T 4.7645 8.3178 119.0659 62.0021 70.9560 173.2541 31 R 4.6781 8.7992 122.1934 54.5967 33.7925 174.1089 32 F 5.1336 8.6848 118.8764 58.0338 38.8442 175.3174 33 H 4.9643 9.1521 119.0198 56.4531 30.5959 174.2865 34 H 4.7850 7.6960 117.5632 54.8941 33.3961 172.1747 35 S 4.8129 8.1882 119.4851 56.3679 64.3522 172.4585 36 E 4.2756 9.1090 130.2560 55.3254 30.7922 174.8221 37 K 4.8634 8.6057 128.5389 55.2094 33.8033 175.2065 38 L 4.9945 9.0070 127.7137 53.1723 44.5372 175.9752 39 D 5.0270 9.0698 123.2360 52.4679 43.2340 175.9772 40 K 4.0474 8.7931 121.9232 58.6066 32.4006 176.1940 41 G 4.0935 9.0299 114.9035 45.3713 0.0000 173.8273 42 E 4.1831 8.0419 119.1526 56.3504 30.7092 176.2544 43 V 4.8353 8.3166 122.5632 60.9892 34.1227 174.2196 44 L 4.7463 9.0159 129.7746 53.2544 44.8512 174.8470 45 I 5.0515 8.5006 126.4596 59.6583 39.0903 174.6903 46 A 4.7189 9.0719 129.4969 50.0782 21.8797 175.2744 47 Q 4.7873 8.6292 120.9468 55.0019 30.3146 175.9184 48 F 4.6680 8.2831 120.6507 58.0584 38.6186 174.9338 49 T 4.7083 9.0580 111.2381 60.0277 72.0224 173.9984 50 E 4.0761 8.9552 121.4670 59.4303 29.5766 177.2722 51 H 4.5382 7.8334 112.1664 56.2679 29.8204 174.2188 52 T 5.3124 8.3028 116.5752 62.0189 70.9073 174.3948 53 S 4.9859 9.0684 120.4423 58.0637 64.7614 173.5086 54 A 5.1044 7.9095 121.5644 51.0195 22.7218 175.1323 55 I 4.9624 8.5187 120.2684 59.3985 40.8657 174.6315 56 K 4.5296 8.9562 128.4789 54.5253 34.5569 174.6580 57 V 4.7697 8.3763 127.0365 61.1628 33.4176 174.3724 58 R 4.5000 8.7611 128.5699 55.3628 32.4846 175.0706 59 G 4.1225 9.0285 112.0112 43.8267 0.0000 172.7160 60 K 4.5068 9.5487 121.3849 56.1956 33.1286 175.6464 61 A 5.0705 8.7763 127.4697 51.0561 23.3712 173.7967 62 Y 4.8795 9.1822 122.0986 56.1581 40.9218 174.5706 63 I 5.0418 8.3926 127.0596 59.5620 41.1715 174.2663 64 Q 5.0349 9.0220 125.6804 54.4084 31.8421 174.9415 65 T 4.7376 8.4271 113.6619 59.6702 72.0983 174.4664 66 R 3.7802 8.4902 120.0663 59.3068 30.0846 176.8961 67 H 4.6823 7.8643 113.3980 55.3405 29.5621 173.9193 68 G 3.8423 7.5576 105.6889 44.0853 0.0000 172.8947 69 V 4.5556 8.0695 113.0036 60.1289 33.3848 175.5658 70 I 4.6346 8.3562 123.0998 59.4706 42.0933 173.3442 71 E 5.1106 8.5317 125.6419 54.4822 32.4870 175.9765 72 S 4.5865 8.7107 119.3821 57.9752 65.1978 172.9268 73 E 4.9304 8.4984 119.8202 54.5343 32.4590 176.3335 74 G 3.7577 8.6221 113.2233 44.9791 0.0000 173.3647 75 K 4.0815 8.7392 119.2224 56.5873 32.7325 175.4022 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 4.50 0.00 4.05 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 8 D 8.37 4.73 0.00 2.95 2.72 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 9 F 8.80 5.29 0.00 3.03 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 10 V 8.89 4.53 2.02 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 0.58 0.00 0.00 0.84 0.00 0.00 11 V 8.49 4.81 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 1.08 0.00 0.00 1.16 0.00 0.00 12 I 9.03 4.96 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 9.07 4.99 0.00 1.87 1.76 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.37 7.81 14 A 8.71 4.42 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 8.86 4.68 0.00 1.63 1.71 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.62 4.65 0.00 2.03 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 2.31 0.00 17 D 8.40 4.50 0.00 2.69 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 18 G 8.46 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 19 V 7.57 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 0.89 0.00 0.00 1.02 0.00 0.00 20 N 8.96 5.30 0.00 2.61 2.61 0.00 0.00 6.35 7.14 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 21 V 8.71 4.54 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 0.93 0.00 0.00 0.90 0.00 0.00 22 I 8.75 4.67 1.50 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.40 -0.24 0.00 0.00 23 G 8.62 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.78 5.45 0.00 1.87 1.71 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.70 4.55 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 1.38 0.00 0.00 26 R 7.89 4.36 0.00 1.90 1.97 0.00 3.27 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 1.44 0.00 27 G 8.65 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 28 A 8.52 4.18 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 7.26 4.89 0.00 2.66 2.60 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 30 T 8.32 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 8.80 4.68 0.00 1.84 1.95 0.00 2.77 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 32 F 8.68 5.13 0.00 2.88 2.87 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 33 H 9.15 4.96 0.00 3.13 3.50 0.00 5.78 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 4.78 0.00 3.32 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 8.19 4.81 0.00 3.76 3.63 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 36 E 9.11 4.28 0.00 2.15 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 2.29 2.30 0.00 37 K 8.61 4.86 0.00 1.78 1.68 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.44 7.81 38 L 9.01 4.99 0.00 1.56 1.52 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.07 5.03 0.00 2.59 2.68 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 0.00 0.00 0.00 0.00 40 K 8.79 4.05 0.00 1.77 1.74 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.45 7.81 41 G 9.03 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 0.00 0.00 0.00 42 E 8.04 4.18 0.00 2.05 1.88 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 2.32 2.36 0.00 43 V 8.32 4.84 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 0.80 0.00 0.00 0.94 0.00 0.00 44 L 9.02 4.75 0.00 1.75 1.46 0.91 0.81 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 8.50 5.05 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 0.67 0.75 0.00 0.00 46 A 9.07 4.72 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 8.63 4.79 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 48 F 8.28 4.67 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.06 4.71 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 1.31 0.00 0.00 50 E 8.96 4.08 0.00 1.93 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 0.00 1.94 2.25 0.00 51 H 7.83 4.54 0.00 3.24 3.23 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 8.30 5.31 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 1.36 0.00 0.00 53 S 9.07 4.99 0.00 3.88 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 54 A 7.91 5.10 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 8.52 4.96 1.86 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.75 0.84 0.00 0.00 56 K 8.96 4.53 0.00 1.75 1.44 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.34 7.81 57 V 8.38 4.77 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 0.81 0.00 0.00 0.90 0.00 0.00 58 R 8.76 4.50 0.00 1.87 1.69 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 9.03 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 0.00 0.00 0.00 0.00 60 K 9.55 4.51 0.00 1.82 1.72 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.78 5.07 1.26 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 0.00 0.00 0.00 62 Y 9.18 4.88 0.00 3.00 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 8.39 5.04 1.90 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 0.53 0.92 0.00 0.00 64 Q 9.02 5.03 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.50 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 65 T 8.43 4.74 4.10 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 0.00 0.00 0.00 1.15 0.00 0.00 66 R 8.49 3.78 0.00 1.60 1.76 0.00 3.20 0.00 0.00 3.17 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 7.86 4.68 0.00 3.16 3.27 0.00 5.68 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 7.56 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.07 4.56 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 0.59 0.00 0.00 0.86 0.00 0.00 70 I 8.36 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 1.19 1.50 0.85 0.00 0.00 71 E 8.53 5.11 0.00 1.83 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 2.21 2.13 0.00 72 S 8.71 4.59 0.00 3.98 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 8.50 4.93 0.00 1.82 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 2.21 2.28 0.00 74 G 8.62 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 75 K 8.74 4.08 0.00 1.80 2.05 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 1.28 7.81