NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2584 8.2493 123.5818 52.2335 19.8929 175.5332 2 S 4.4947 8.1393 113.6580 55.7710 65.1698 172.6345 3 K 4.0674 8.7895 121.6731 59.5088 33.2069 180.2210 4 G 3.7727 8.1979 105.1682 47.7477 0.0000 174.8785 5 E 4.1548 8.3875 121.4434 59.3722 29.3003 178.7719 6 E 4.1199 8.0294 117.4523 58.8583 29.5577 178.4970 7 L 4.1600 7.9152 117.3835 55.8587 41.6857 177.3635 8 F 4.7810 7.8549 116.7473 57.2520 39.6257 176.4099 9 T 4.1210 8.1282 112.0604 63.1831 69.2664 173.9095 10 G 4.3938 7.5335 110.8030 43.7199 0.0000 171.4128 11 V 4.0753 8.3670 119.8838 62.7278 32.3632 176.7636 12 V 4.5090 8.8006 128.4797 60.1536 33.8360 173.0743 13 P 4.8799 0.0000 0.0000 62.9944 32.3904 175.6347 14 I 4.7306 8.7341 122.1406 59.5643 40.9183 174.3720 15 L 5.2507 8.6054 124.9447 52.9102 45.0200 175.9685 16 V 4.6061 8.8788 122.5097 61.1884 34.8300 174.0797 17 E 5.2369 8.8811 125.8439 54.6383 33.0864 174.5058 18 L 4.8063 9.2043 126.3988 53.2521 45.4797 174.5321 19 D 5.1826 8.7866 125.3342 52.4822 43.2183 175.7399 20 G 3.4119 8.5437 109.5746 44.2556 0.0000 171.4299 21 D 5.0403 8.3237 120.5793 52.9030 43.8151 174.7987 22 V 4.2878 9.0103 127.2176 61.8369 33.0134 175.0689 23 N 4.2902 10.0275 125.7055 54.2868 36.0339 175.7048 24 G 3.8288 8.5534 106.3478 45.6030 0.0000 174.2340 25 H 4.5281 8.2924 118.1917 55.1284 28.2691 174.2081 26 K 5.1498 8.3619 124.3929 55.2821 33.8574 176.0851 27 F 4.9793 8.2885 116.8717 56.2849 41.7642 172.9694 28 S 5.2049 8.7075 114.6560 56.8451 67.2213 173.1765 29 V 5.1793 9.0185 122.5220 61.3804 34.9413 174.1944 30 S 5.3495 9.3291 123.4567 56.8162 65.6633 173.4239 31 G 4.3994 9.5349 110.8899 44.5392 0.0000 171.3338 32 E 5.0566 8.8053 119.7830 53.9928 34.1097 175.8707 33 G 4.1833 8.0737 109.7407 46.2502 0.0000 171.4395 34 E 5.1258 8.0838 119.1187 55.3312 33.4757 175.0131 35 G 4.5094 9.2330 107.8446 44.7724 0.0000 171.3638 36 D 5.0045 9.3630 122.1677 51.6479 41.8812 175.6322 37 A 4.0953 8.6586 127.5285 54.7534 19.0306 179.9893 38 T 3.6393 7.9959 111.7883 66.3652 68.4032 174.3627 39 Y 4.5710 7.8719 115.6361 56.7792 38.4356 175.6432 40 G 4.0142 8.0093 107.3445 46.2915 0.0000 173.1625 41 K 4.6721 8.0559 120.0487 54.1740 34.5614 174.5748 42 L 5.4121 8.6295 126.6518 53.0763 45.1055 175.8762 43 T 4.6674 8.8237 112.9637 59.9561 71.4529 172.8888 44 L 5.0457 8.4496 124.8294 52.6885 46.3228 175.3968 45 K 4.3423 8.5124 122.9724 54.5306 35.0353 174.7297 46 F 5.4590 8.6006 125.2412 55.7544 41.9825 174.7995 47 I 4.7350 9.0412 122.9296 59.6082 40.8145 174.4884 48 C 4.9179 9.3099 127.4628 59.2075 31.3021 173.1459 49 T 4.3577 8.6754 117.8339 62.5282 68.9767 175.4152 50 T 4.4598 8.3714 111.3130 61.1725 70.6171 173.3587 51 G 4.0960 7.6144 109.3110 44.5220 0.0000 175.9167 52 K 4.1440 8.5605 127.4291 55.0939 32.6858 175.9178 53 L 3.6457 8.2039 128.5937 54.3752 42.3035 174.5531 54 P 4.4129 0.0000 0.0000 62.9150 31.7405 175.7420 55 V 4.3639 6.4619 110.8089 58.7282 35.7685 173.3438 56 P 4.3164 0.0000 0.0000 62.0769 32.0937 177.5831 57 W 4.2499 8.9835 122.8016 59.8686 28.8753 177.0211 58 P 4.3238 0.0000 0.0000 65.6279 30.5255 178.1465 59 T 4.1376 7.9031 106.8572 63.1916 69.0764 175.4628 60 L 4.5142 7.8795 121.4017 54.7448 42.3178 178.2457 61 V 3.5552 7.5917 119.8679 66.2539 31.2952 177.9654 62 T 3.8828 7.8466 107.6489 64.6438 68.6632 176.1416 63 T 4.1453 7.7221 117.5218 66.1059 69.0332 176.2689 64 L 4.4261 8.0762 119.2209 55.8848 42.0188 177.1144 65 G 3.9145 8.2047 112.3942 45.6760 0.0000 173.3851 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 8.25 4.26 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 2 S 8.14 4.49 0.00 4.08 3.89 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 3 K 8.79 4.07 0.00 1.82 1.86 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.46 7.81 4 G 8.20 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.39 4.15 0.00 2.08 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 0.00 2.36 2.41 0.00 6 E 8.03 4.12 0.00 2.12 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 0.00 2.36 2.45 0.00 7 L 7.92 4.16 0.00 1.43 1.33 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 8 F 7.85 4.78 0.00 3.11 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 9 T 8.13 4.12 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 1.23 0.00 0.00 10 G 7.53 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.37 4.08 2.10 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 0.85 0.00 0.00 1.02 0.00 0.00 12 V 8.80 4.51 2.10 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 0.95 0.00 0.00 0.82 0.00 0.00 13 P 0.00 4.88 0.00 2.10 2.02 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 14 I 8.73 4.73 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.92 0.96 0.00 0.00 15 L 8.61 5.25 0.00 1.50 1.55 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.88 4.61 2.37 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 1.11 0.00 0.00 1.10 0.00 0.00 17 E 8.88 5.24 0.00 1.86 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 2.25 0.00 18 L 9.20 4.81 0.00 1.74 1.53 0.88 1.41 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 19 D 8.79 5.18 0.00 2.48 2.41 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 20 G 8.54 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 0.00 0.00 0.00 21 D 8.32 5.04 0.00 2.56 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.01 4.29 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 1.07 0.00 0.00 1.10 0.00 0.00 23 N 10.03 4.29 0.00 2.94 2.89 0.00 0.00 7.32 7.65 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 24 G 8.55 3.83 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 0.00 0.00 0.00 25 H 8.29 4.53 0.00 3.46 3.31 0.00 5.80 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.36 5.15 0.00 1.65 1.70 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.60 7.81 27 F 8.29 4.98 0.00 3.00 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 28 S 8.71 5.20 0.00 3.79 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 29 V 9.02 5.18 2.27 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 1.55 0.00 0.00 1.12 0.00 0.00 30 S 9.33 5.35 0.00 3.88 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 31 G 9.53 4.40 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 0.00 32 E 8.81 5.06 0.00 1.78 1.71 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 2.19 2.20 0.00 33 G 8.07 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 34 E 8.08 5.13 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 35 G 9.23 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 9.36 5.00 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.66 4.10 1.34 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 0.00 0.00 0.00 38 T 8.00 3.64 3.67 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 0.49 0.00 0.00 39 Y 7.87 4.57 0.00 3.02 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 40 G 8.01 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 41 K 8.06 4.67 0.00 1.93 1.75 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.46 7.81 42 L 8.63 5.41 0.00 1.56 1.56 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.82 4.67 4.21 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 0.00 0.00 0.00 1.20 0.00 0.00 44 L 8.45 5.05 0.00 1.36 0.81 1.11 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.51 4.34 0.00 1.63 1.44 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.18 1.24 7.81 46 F 8.60 5.46 0.00 2.67 3.10 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 0.00 47 I 9.04 4.73 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.78 1.01 0.00 0.00 48 C 9.31 4.92 0.00 3.07 3.14 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 49 T 8.68 4.36 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 1.35 0.00 0.00 50 T 8.37 4.46 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 1.29 0.00 0.00 51 G 7.61 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 0.00 0.00 0.00 0.00 52 K 8.56 4.14 0.00 1.72 1.69 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.38 7.81 53 L 8.20 3.65 0.00 1.01 0.93 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.41 0.00 1.99 1.97 0.00 2.50 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.86 0.00 55 V 6.46 4.36 1.91 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 0.61 0.00 0.00 0.52 0.00 0.00 56 P 0.00 4.32 0.00 2.14 1.95 0.00 3.52 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 57 W 8.98 4.25 0.00 3.37 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 58 P 0.00 4.32 0.00 2.18 2.15 0.00 3.60 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 59 T 7.90 4.14 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 1.18 0.00 0.00 60 L 7.88 4.51 0.00 1.80 1.68 0.71 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.59 3.56 2.10 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 1.16 0.00 0.00 1.01 0.00 0.00 62 T 7.85 3.88 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 1.22 0.00 0.00 63 T 7.72 4.15 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 1.22 0.00 0.00 64 L 8.08 4.43 0.00 1.22 0.97 0.64 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.20 3.91 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 0.00 0.00 0.00