NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2950 8.1627 120.3375 54.7810 32.7141 174.3500 2 K 3.7919 8.3657 128.5370 57.0095 32.8772 175.3889 3 G 3.9529 8.8289 113.6031 45.8003 0.0000 174.3062 4 M 3.9651 7.7062 119.2702 58.0872 31.1091 178.8889 5 S 4.1539 8.1061 112.6894 60.2905 62.9931 174.8440 6 K 4.3842 7.8046 118.1871 56.3713 32.7730 176.4298 7 M 4.3585 7.6229 118.8599 53.9737 32.5588 174.3821 8 P 4.3335 0.0000 0.0000 62.9683 31.9424 176.7633 9 Q 4.4816 8.1089 121.3627 54.6529 30.7722 174.5642 10 F 4.4074 7.9680 115.9144 58.1499 41.9026 172.3791 11 N 4.5537 8.0397 125.9888 51.7876 39.5717 174.8669 12 L 4.1325 7.8859 122.9856 54.1694 42.6415 177.2796 13 R 4.4848 8.0457 119.9106 53.7560 30.8136 174.4997 14 W 5.1415 8.0161 120.4774 53.3683 32.8852 174.5426 15 P 4.4241 0.0000 0.0000 62.6828 32.4019 177.6589 16 R 3.9874 8.8269 121.1620 59.7941 30.0284 179.0495 17 E 3.9604 8.1576 117.4159 59.4832 29.5811 179.3838 18 V 3.6132 7.8000 117.7128 66.0127 31.5913 177.6557 19 L 4.1722 8.1796 120.0865 58.2942 41.9450 178.7079 20 D 4.3835 8.4344 119.3076 56.9091 40.7180 178.5409 21 L 3.9365 8.1301 121.0408 58.1624 42.1105 178.9983 22 V 3.6387 7.8494 118.1873 66.1305 31.3413 177.9673 23 R 4.0289 8.1784 117.6868 59.2460 29.8942 178.8334 24 K 3.8937 8.0899 119.0883 59.6129 32.2289 178.8994 25 V 3.5639 8.4058 118.5155 65.9176 31.3664 177.7515 26 A 4.4111 8.6935 122.7481 54.7018 18.1419 179.4370 27 E 3.9118 8.5328 117.3773 59.7299 29.3559 179.3855 28 E 4.0049 8.2640 117.5234 59.1985 29.5587 178.2489 29 N 4.8158 8.1576 113.7724 51.8602 39.0121 175.0941 30 G 4.0328 8.2353 108.5025 46.9139 0.0000 173.7394 31 R 4.7049 8.0833 116.3326 53.2168 33.8871 176.4778 32 S 4.4843 8.1836 114.5510 57.8814 65.3517 175.4439 33 V 3.5998 8.1625 121.2285 65.8720 31.1962 177.2750 34 N 4.2565 8.1443 116.4237 57.1396 38.8269 176.9056 35 S 4.1743 8.2902 116.4262 61.3001 62.7741 176.1643 36 E 3.9476 8.5843 122.5177 59.4489 29.3732 178.9936 37 I 3.7824 8.0346 119.7789 64.6136 37.2131 177.4958 38 Y 4.0469 8.2453 120.4482 61.0734 38.5396 178.4017 39 Q 4.0480 8.8508 118.9001 59.1668 28.7651 179.2031 40 R 3.8842 7.8821 118.5887 59.0093 30.0984 179.2499 41 V 3.1985 7.7225 117.9910 66.2495 31.5695 177.9236 42 M 3.9569 7.6194 118.3246 58.2249 31.6368 178.2399 43 E 3.8816 8.0957 119.6169 59.3754 29.8007 179.0487 44 S 4.0434 7.9572 114.3090 61.4776 62.8398 176.5253 45 F 4.5520 7.7337 121.3450 60.2190 38.7026 177.5120 46 K 3.9177 8.6423 118.4357 59.6763 31.7228 179.2487 47 K 4.0133 8.1395 118.4324 59.4306 32.2184 177.9012 48 E 4.3544 8.6224 115.9814 55.9739 29.3341 177.0662 49 G 3.9266 7.7062 106.7388 46.3825 0.0000 174.1535 50 R 4.0831 8.3463 125.6482 55.9992 29.9989 175.9119 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 4.29 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 2 K 8.37 3.79 0.00 1.81 1.67 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.48 7.81 3 G 8.83 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 0.00 0.00 0.00 4 M 7.71 3.97 0.00 2.36 2.30 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 5 S 8.11 4.15 0.00 3.98 4.04 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 6 K 7.80 4.38 0.00 1.85 1.87 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.52 7.81 7 M 7.62 4.36 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.49 0.00 8 P 0.00 4.33 0.00 2.08 2.01 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 9 Q 8.11 4.48 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 10 F 7.97 4.41 0.00 2.92 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 11 N 8.04 4.55 0.00 2.44 2.52 0.00 0.00 7.16 7.85 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 12 L 7.89 4.13 0.00 1.06 0.61 0.92 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.05 4.48 0.00 1.78 1.86 0.00 3.11 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 14 W 8.02 5.14 0.00 3.29 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 15 P 0.00 4.42 0.00 2.18 2.00 0.00 3.69 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 16 R 8.83 3.99 0.00 1.87 2.03 0.00 3.15 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 17 E 8.16 3.96 0.00 2.02 2.01 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 2.41 2.38 0.00 18 V 7.80 3.61 2.30 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 0.95 0.00 0.00 0.89 0.00 0.00 19 L 8.18 4.17 0.00 2.07 1.80 0.99 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.43 4.38 0.00 2.90 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 21 L 8.13 3.94 0.00 1.89 1.84 0.92 0.75 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 22 V 7.85 3.64 2.34 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 1.07 0.00 0.00 1.14 0.00 0.00 23 R 8.18 4.03 0.00 2.11 1.99 0.00 3.21 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 24 K 8.09 3.89 0.00 1.97 1.95 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.72 1.46 7.81 25 V 8.41 3.56 2.28 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 1.01 0.00 0.00 0.97 0.00 0.00 26 A 8.69 4.41 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.53 3.91 0.00 2.26 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 2.51 0.00 28 E 8.26 4.00 0.00 2.10 2.03 0.00 0.00 0.00 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 2.48 0.00 29 N 8.16 4.82 0.00 2.86 2.85 0.00 0.00 7.07 7.16 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 30 G 8.24 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 4.70 0.00 1.86 1.83 0.00 3.33 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 32 S 8.18 4.48 0.00 4.04 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 33 V 8.16 3.60 2.07 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 1.10 0.00 0.00 0.94 0.00 0.00 34 N 8.14 4.26 0.00 2.86 2.79 0.00 0.00 7.23 7.63 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 35 S 8.29 4.17 0.00 3.91 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 36 E 8.58 3.95 0.00 2.19 2.15 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 2.35 2.46 0.00 37 I 8.03 3.78 2.08 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.77 1.05 0.00 0.00 38 Y 8.25 4.05 0.00 3.20 3.12 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 39 Q 8.85 4.05 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.70 2.63 0.00 40 R 7.88 3.88 0.00 2.01 1.94 0.00 3.16 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 41 V 7.72 3.20 1.94 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 0.55 0.00 0.00 0.91 0.00 0.00 42 M 7.62 3.96 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.71 0.00 43 E 8.10 3.88 0.00 2.16 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 0.00 2.28 2.33 0.00 44 S 7.96 4.04 0.00 3.93 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 45 F 7.73 4.55 0.00 3.26 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 46 K 8.64 3.92 0.00 1.92 1.89 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.52 7.81 47 K 8.14 4.01 0.00 1.86 1.84 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 48 E 8.62 4.35 0.00 2.20 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 2.38 2.55 0.00 49 G 7.71 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.35 4.08 0.00 1.78 1.62 0.00 3.21 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.46 0.00