NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4671 8.1633 120.3258 54.7068 33.7164 176.8568 2 R 3.5157 8.0820 119.0939 57.7438 30.2659 176.5589 3 K 4.1553 8.0729 121.5947 59.0285 32.6417 177.9079 4 Q 4.1568 9.1093 122.2186 58.2546 28.7795 177.7691 5 L 3.9167 7.9479 121.1021 58.6084 41.4522 178.2386 6 E 3.9181 8.1836 117.9031 59.6944 29.0176 178.9723 7 E 3.9461 8.4965 117.7498 60.5508 29.4808 178.7316 8 A 3.9672 8.5001 118.6987 54.8610 18.2386 180.0812 9 R 3.8932 8.3259 117.3891 59.3039 30.6386 178.4577 10 K 3.6379 8.1895 115.8539 60.6196 32.3430 179.9138 11 L 4.7194 8.0620 122.6653 56.0904 43.7743 174.6705 12 S 4.5063 8.4601 118.6035 59.0077 70.0800 178.5986 13 P 4.9867 0.0000 0.0000 61.3502 31.0883 180.2622 14 V 4.5622 8.6012 115.1673 63.1379 31.9299 177.7960 15 E 4.0698 8.3062 120.3756 57.4898 28.7954 178.3261 16 L 3.8573 5.7127 125.3199 59.5383 42.9549 177.1631 17 E 3.9441 8.6220 118.3911 59.6656 29.2552 179.2412 18 K 3.8779 8.8675 118.6652 60.1246 32.6212 178.8325 19 L 3.9294 8.2595 121.9726 57.9760 42.0257 179.4174 20 V 3.6062 8.1229 119.3140 64.9074 31.1969 178.0611 21 R 3.8795 8.2409 118.9671 59.2298 29.8799 178.4073 22 E 3.9479 8.5554 118.1276 59.6684 29.5265 179.4965 23 K 3.8471 8.2844 118.1620 59.6855 32.0057 179.0534 24 K 3.8269 8.1520 117.3434 59.8158 32.2605 178.7529 25 R 4.1057 8.1252 118.0897 59.6036 30.0356 178.1906 26 E 3.9425 8.2968 118.8243 59.7663 29.4416 179.0064 27 L 3.9424 8.0977 118.6658 57.9073 41.5605 179.1725 28 M 3.7180 8.2745 119.0119 58.7626 31.7675 178.2782 29 E 4.4323 8.2850 116.2119 60.3270 29.9832 179.0123 30 L 4.5203 8.1126 119.0459 57.7014 41.6879 179.9087 31 R 3.6832 8.2176 117.4794 59.6067 29.9282 179.0291 32 F 4.2942 7.0057 115.8223 60.7066 39.1262 177.3539 33 Q 4.2567 8.8219 117.7404 57.9926 29.3394 175.8768 34 A 4.3973 7.6431 122.9590 50.0366 16.0546 176.2246 35 S 5.6904 7.2328 122.5836 58.5397 63.4992 176.7982 36 I 4.3536 7.1443 121.9201 60.6874 36.7967 176.5630 37 G 3.6652 8.5579 104.3273 46.8175 0.0000 173.3404 38 Q 4.1391 8.8446 122.3348 55.7449 28.2885 175.6536 39 L 3.5853 7.4543 112.1243 59.6216 41.6773 178.6328 40 S 4.1252 8.2651 121.2657 60.6624 64.6019 176.9125 41 Q 4.0523 8.1861 121.0728 60.5199 28.3863 179.4826 42 N 3.8108 8.0492 116.3131 55.9190 38.4490 176.1630 43 H 4.2263 7.9858 118.0745 58.2952 28.8355 177.8125 44 K 4.1670 8.2272 120.6775 59.7558 32.3073 178.2547 45 I 3.7244 7.7414 113.2111 63.6839 37.6420 177.6460 46 R 3.8587 8.2837 121.1169 59.0002 29.5036 178.1313 47 D 4.3399 8.4727 118.6384 57.1509 40.7603 178.5648 48 L 3.9442 8.1381 119.2367 58.5580 41.6930 179.4272 49 K 3.8490 8.5502 118.0696 59.4793 31.8493 179.4715 50 R 3.8496 8.4557 117.8612 59.4694 30.1806 178.7256 51 Q 3.9926 8.4270 117.9118 59.3953 28.7347 179.4507 52 I 3.6952 8.0713 120.4709 64.0301 36.9590 178.1591 53 A 3.9833 8.1846 122.1240 56.0981 18.0989 179.0145 54 R 3.7969 8.4070 115.5978 59.3673 29.9360 179.3115 55 L 3.8635 8.4288 118.1098 58.3190 41.9013 179.4339 56 L 3.9725 8.3783 119.1587 57.8776 41.4420 179.5925 57 T 3.8735 8.4224 115.5485 67.4173 68.5082 176.2429 58 V 3.6002 8.2032 114.2842 64.0980 31.4937 178.0234 59 L 3.8488 8.4216 119.8418 58.5736 41.9455 178.9274 60 N 4.2229 8.4205 116.7102 56.8393 38.8664 175.8615 61 E 3.8537 8.3299 120.6953 60.1954 29.5483 178.3524 62 K 3.8271 8.5446 119.3027 60.3277 32.1282 178.8647 63 R 3.9456 8.6550 118.3254 58.8739 30.0114 179.2645 64 R 3.8631 7.9755 118.3270 59.1876 30.1419 177.8392 65 Q 4.0960 8.0409 118.6564 60.0077 29.1270 177.1057 66 N 4.0184 8.2080 115.4086 56.4843 38.8146 174.7225 67 A 4.4040 8.4905 127.6280 52.2578 19.3270 176.6935 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 M 8.16 4.47 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 2 R 8.08 3.52 0.00 1.97 1.99 0.00 3.17 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 3 K 8.07 4.16 0.00 1.78 1.80 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.30 7.81 4 Q 9.11 4.16 0.00 2.03 2.12 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 2.36 2.27 0.00 5 L 7.95 3.92 0.00 1.67 2.15 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.18 3.92 0.00 2.02 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 2.57 2.44 0.00 7 E 8.50 3.95 0.00 2.19 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 2.34 2.41 0.00 8 A 8.50 3.97 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 9 R 8.33 3.89 0.00 1.91 1.99 0.00 3.37 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.87 0.00 10 K 8.19 3.64 0.00 1.78 1.80 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.28 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.67 7.81 11 L 8.06 4.72 0.00 1.59 1.70 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.46 4.51 0.00 3.78 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 13 P 0.00 4.99 0.00 2.26 1.80 0.00 3.88 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.95 0.00 14 V 8.60 4.56 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 1.07 0.00 0.00 0.93 0.00 0.00 15 E 8.31 4.07 0.00 2.09 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 0.00 2.40 2.37 0.00 16 L 5.71 3.86 0.00 1.79 1.92 0.95 1.11 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 17 E 8.62 3.94 0.00 2.16 1.92 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 2.34 2.49 0.00 18 K 8.87 3.88 0.00 2.10 2.15 0.00 1.33 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.74 1.46 7.81 19 L 8.26 3.93 0.00 1.68 1.92 0.99 0.87 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 20 V 8.12 3.61 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 1.01 0.00 0.00 0.93 0.00 0.00 21 R 8.24 3.88 0.00 2.00 2.04 0.00 3.31 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.84 0.00 22 E 8.56 3.95 0.00 2.24 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 2.34 2.42 0.00 23 K 8.28 3.85 0.00 1.85 1.88 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.68 7.81 24 K 8.15 3.83 0.00 1.93 1.90 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.69 7.81 25 R 8.13 4.11 0.00 2.04 2.06 0.00 3.37 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 26 E 8.30 3.94 0.00 2.04 2.19 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 2.33 2.41 0.00 27 L 8.10 3.94 0.00 1.90 1.66 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 28 M 8.27 3.72 0.00 2.31 2.49 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 29 E 8.28 4.43 0.00 2.13 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 2.65 2.42 0.00 30 L 8.11 4.52 0.00 1.82 1.64 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.22 3.68 0.00 0.99 1.69 0.00 3.12 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.35 0.00 32 F 7.01 4.29 0.00 3.20 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 33 Q 8.82 4.26 0.00 2.27 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 34 A 7.64 4.40 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 35 S 7.23 5.69 0.00 4.10 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.14 4.35 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.95 0.98 0.00 0.00 37 G 8.56 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 0.00 0.00 0.00 0.00 38 Q 8.84 4.14 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 39 L 7.45 3.59 0.00 1.69 1.55 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.27 4.13 0.00 3.97 3.99 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 41 Q 8.19 4.05 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.43 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 42 N 8.05 3.81 0.00 2.63 2.78 0.00 0.00 7.08 7.67 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 43 H 7.99 4.23 0.00 3.17 3.43 0.00 5.93 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.23 4.17 0.00 1.95 1.82 0.00 1.53 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.55 7.81 45 I 7.74 3.72 1.84 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 1.47 0.95 0.98 0.00 0.00 46 R 8.28 3.86 0.00 1.90 1.99 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 47 D 8.47 4.34 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 3.94 0.00 2.09 1.75 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.55 3.85 0.00 1.99 1.80 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.62 7.81 50 R 8.46 3.85 0.00 1.96 1.98 0.00 3.14 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 51 Q 8.43 3.99 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 52 I 8.07 3.70 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.06 0.91 0.00 0.00 53 A 8.18 3.98 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 54 R 8.41 3.80 0.00 2.04 1.91 0.00 3.24 0.00 0.00 3.17 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 55 L 8.43 3.86 0.00 1.97 1.71 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.38 3.97 0.00 1.96 1.67 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.42 3.87 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 1.21 0.00 0.00 58 V 8.20 3.60 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 0.83 0.00 0.00 0.99 0.00 0.00 59 L 8.42 3.85 0.00 1.73 1.71 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.42 4.22 0.00 2.87 3.07 0.00 0.00 6.81 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.33 3.85 0.00 2.05 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 0.00 2.32 2.36 0.00 62 K 8.54 3.83 0.00 1.88 1.81 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.54 7.81 63 R 8.66 3.95 0.00 1.89 1.96 0.00 3.18 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 64 R 7.98 3.86 0.00 2.07 1.95 0.00 3.44 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 65 Q 8.04 4.10 0.00 2.33 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 66 N 8.21 4.02 0.00 2.72 2.89 0.00 0.00 7.20 8.70 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 67 A 8.49 4.40 1.24 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 0.00 0.00 0.00