NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2904 8.2649 123.5821 50.8954 21.1797 175.9726 2 T 4.3053 7.0393 108.8237 60.7716 70.4050 173.0892 3 C 4.9481 8.6359 123.0894 55.4738 47.3490 172.8521 4 A 4.3918 8.8670 129.6712 51.8093 19.1511 176.9285 5 T 3.9643 8.6158 114.4428 62.0652 68.3933 173.3192 6 A 5.1167 8.8054 129.8952 51.3520 19.0037 176.8563 7 W 4.2011 9.0592 130.1938 58.2009 31.6933 175.7884 8 S 3.9888 7.6199 119.6760 56.3914 65.3147 175.4603 9 S 3.6300 7.4059 120.5459 60.2925 62.9363 174.5336 10 S 4.4901 7.4000 114.6947 57.6379 62.1766 174.2385 11 S 4.1183 7.3433 115.9546 56.5145 64.6233 174.3798 12 V 3.5803 7.9369 125.7819 62.0029 31.7592 175.4446 13 Y 4.7336 8.4987 121.5258 56.9775 41.3985 174.2505 14 T 4.9575 7.9483 108.4553 60.1181 72.5498 172.0155 15 N 4.3270 8.9684 119.5370 55.9593 39.0260 174.3605 16 G 4.0504 8.3935 113.8437 45.1406 0.0000 173.9278 17 G 4.0057 8.3490 108.0473 47.3589 0.0000 172.8928 18 T 5.5548 8.7814 121.6890 62.3523 71.7145 173.7524 19 V 5.3455 9.2568 116.9975 60.4726 37.1449 173.3357 20 S 5.3158 8.0801 114.4769 57.2000 66.3830 172.8138 21 Y 4.3799 9.4590 119.2821 58.5015 42.0904 173.2823 22 N 4.2715 9.5790 123.1242 54.4618 37.5884 175.0551 23 G 3.9180 8.2936 104.5902 44.6823 0.0000 173.2557 24 R 4.8119 7.7983 118.8095 54.2887 34.1434 173.8848 25 N 5.4439 8.3316 115.9116 52.2087 41.8802 173.6701 26 Y 5.2224 8.8568 121.2196 56.6762 41.3265 174.9171 27 T 5.4235 9.2739 118.9419 61.7812 72.0872 173.9981 28 A 4.3159 8.0400 128.2967 51.1309 19.3589 177.4719 29 K 4.0750 7.6338 116.5453 56.7189 34.7616 176.1796 30 W 4.7631 7.4040 114.8363 55.0001 30.3559 172.4587 31 W 4.6270 9.0829 128.2374 58.9718 30.5364 175.4350 32 T 4.7583 8.6708 120.8433 61.1625 70.8607 173.4103 33 Q 4.8983 8.6640 127.4891 54.1390 31.3729 173.8700 34 N 4.6491 8.9011 117.6295 54.0728 36.6249 173.9406 35 E 4.6561 9.0007 121.5421 54.1810 33.8008 175.3995 36 R 2.7495 8.2477 122.9050 55.2667 30.1366 174.1958 37 P 3.9749 0.0000 0.0000 63.5416 31.8526 174.9944 38 G 4.0606 7.8350 109.1292 46.0698 0.0000 175.0265 39 T 4.0765 6.8135 114.3344 64.5612 69.2171 174.7708 40 S 4.8318 7.5284 115.2095 55.8850 64.8739 174.2502 41 D 4.4281 8.7995 125.7078 57.5081 41.3021 178.0481 42 V 3.6371 8.1346 119.0455 65.5605 31.5873 175.6527 43 W 5.1234 8.0909 119.6183 54.9718 31.0832 175.1110 44 A 5.1832 8.8231 125.6321 49.5893 22.1275 174.7605 45 D 4.3531 9.0160 121.7351 53.3703 39.7309 176.1242 46 K 4.4337 10.4281 124.9217 54.0530 32.9802 176.9314 47 G 3.6578 6.7958 104.6271 44.5285 0.0000 171.7839 48 A 4.9746 7.9431 121.4238 50.2031 22.2537 176.5761 49 C 4.7585 8.8851 120.1685 54.8167 45.4134 173.2858 50 G 4.2930 8.2469 113.9425 45.1531 0.0000 173.0543 51 T 4.5295 8.2821 113.7319 61.0384 71.2094 172.5905 52 G 4.2309 8.4304 110.7022 43.9448 0.0000 173.7491 53 S 4.2035 8.3209 116.6554 58.5241 63.9156 174.0844 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 1 A 8.26 4.29 1.28 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 0.00 0.00 0.00 2 T 7.04 4.31 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 1.22 0.00 0.00 3 C 8.64 4.95 0.00 2.95 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 4 A 8.87 4.39 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 5 T 8.62 3.96 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 1.36 0.00 0.00 6 A 8.81 5.12 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 7 W 9.06 4.20 0.00 2.81 3.05 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 S 7.62 3.99 0.00 3.69 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.41 3.63 0.00 3.89 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.40 4.49 0.00 3.73 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 11 S 7.34 4.12 0.00 3.55 3.19 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 0.00 0.00 0.00 0.00 12 V 7.94 3.58 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 -0.20 0.00 0.00 13 Y 8.50 4.73 0.00 3.25 3.05 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 14 T 7.95 4.96 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 15 N 8.97 4.33 0.00 2.95 2.89 0.00 0.00 7.38 7.96 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 16 G 8.39 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 17 G 8.35 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 18 T 8.78 5.55 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 1.37 0.00 0.00 19 V 9.26 5.35 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 -0.14 0.00 0.00 0.20 0.00 0.00 20 S 8.08 5.32 0.00 3.87 4.20 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 0.00 0.00 0.00 0.00 21 Y 9.46 4.38 0.00 2.99 2.95 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 22 N 9.58 4.27 0.00 3.15 2.96 0.00 0.00 7.22 8.00 0.00 0.00 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 G 8.29 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 0.00 0.00 0.00 24 R 7.80 4.81 0.00 1.52 1.78 0.00 3.17 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 25 N 8.33 5.44 0.00 2.57 2.66 0.00 0.00 7.46 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.86 5.22 0.00 2.63 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 27 T 9.27 5.42 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 1.22 0.00 0.00 28 A 8.04 4.32 0.04 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 29 K 7.63 4.08 0.00 0.88 0.74 0.00 1.47 0.00 0.00 1.46 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.85 1.12 7.81 30 W 7.40 4.76 0.00 3.47 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 9.08 4.63 0.00 3.54 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 32 T 8.67 4.76 4.37 0.00 0.00 0.00 0.00 0.00 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 33 Q 8.66 4.90 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.84 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 34 N 8.90 4.65 0.00 3.04 3.22 0.00 0.00 5.77 7.73 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 35 E 9.00 4.66 0.00 2.19 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 2.28 2.52 0.00 36 R 8.25 2.75 0.00 1.55 1.48 0.00 3.02 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.06 0.00 37 P 0.00 3.97 0.00 0.64 0.49 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 38 G 7.84 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 39 T 6.81 4.08 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 1.16 0.00 0.00 40 S 7.53 4.83 0.00 3.81 3.71 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 41 D 8.80 4.43 0.00 2.73 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 42 V 8.13 3.64 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 0.68 0.00 0.00 1.12 0.00 0.00 43 W 8.09 5.12 0.00 3.19 2.91 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 0.00 0.00 0.00 0.00 44 A 8.82 5.18 1.22 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 0.00 0.00 0.00 45 D 9.02 4.35 0.00 2.44 2.32 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 46 K 10.43 4.43 0.00 1.65 1.79 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.38 7.81 47 G 6.80 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.94 4.97 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 49 C 8.89 4.76 0.00 3.04 3.04 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 50 G 8.25 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 51 T 8.28 4.53 4.23 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 1.20 0.00 0.00 52 G 8.43 4.23 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 0.00 53 S 8.32 4.20 0.00 3.79 3.68 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