NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6065 8.1676 119.4671 57.6359 41.3797 177.0405 2 V 3.6573 7.8812 120.6651 62.8961 31.3629 176.3493 3 N 4.5288 9.0189 117.7831 55.0361 37.9505 178.3671 4 Q 4.0372 8.1167 120.7662 58.8531 28.7399 177.4369 5 Y 4.0616 7.9508 120.6371 60.7712 38.7694 178.2803 6 L 3.9553 8.2890 119.9787 57.8483 41.6787 178.9160 7 C 4.1695 8.3207 118.8273 62.5779 31.4754 175.8931 8 G 3.5818 8.1403 107.1828 47.7551 0.0000 175.4074 9 S 3.8709 7.5753 115.3481 61.6553 62.3234 176.1196 10 H 3.9946 7.9924 118.7694 58.3888 28.4978 177.5807 11 L 3.8964 7.9642 121.1490 57.9746 41.4458 179.7797 12 V 3.3258 7.4947 117.8907 65.8661 31.4559 177.9650 13 E 3.9347 7.6711 117.9353 59.2649 29.1991 179.1718 14 A 4.0024 7.9441 120.8967 55.0163 18.3356 179.6674 15 L 3.6333 7.7514 117.5468 57.7850 41.0834 178.9441 16 Y 4.2303 7.8682 119.5173 60.7453 38.5030 178.1796 17 L 3.8768 7.5849 119.1968 58.2206 42.3425 178.7856 18 V 3.7083 7.7763 117.2512 66.1189 31.7941 177.5084 19 C 4.3042 8.5600 116.5959 59.9213 28.2771 175.4985 20 G 3.6426 8.2007 108.9329 46.0992 0.0000 175.0863 21 E 3.8488 9.0906 121.3673 59.3678 29.3534 178.3430 22 R 3.8280 7.8043 117.5139 57.7769 30.1761 177.4711 23 G 3.9546 9.1461 104.8085 45.2697 0.0000 171.6878 24 F 4.9097 7.5313 111.0767 56.1487 40.0062 173.0789 25 F 4.4970 9.0153 120.3609 55.8695 40.5253 174.8295 26 Y 4.8518 8.7561 126.2568 56.0318 39.7094 174.9718 27 T 4.3043 7.8583 117.6703 58.8124 70.4826 171.8510 28 P 3.9367 0.0000 0.0000 64.5526 31.4183 176.3283 29 K 4.2979 8.7386 121.2714 56.8335 33.0384 175.4894 30 T 3.5378 8.6912 115.7159 61.2413 68.0496 171.8638 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 F 8.17 4.61 0.00 3.13 3.26 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 2 V 7.88 3.66 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 0.88 0.00 0.00 1.04 0.00 0.00 3 N 9.02 4.53 0.00 3.06 3.16 0.00 0.00 6.29 7.49 0.00 0.00 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 Q 8.12 4.04 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 5 Y 7.95 4.06 0.00 3.25 3.31 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 6 L 8.29 3.96 0.00 1.78 1.76 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.32 4.17 0.00 3.07 3.17 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 0.00 0.00 0.00 8 G 8.14 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 0.00 0.00 0.00 9 S 7.58 3.87 0.00 3.58 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 10 H 7.99 3.99 0.00 3.26 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.96 3.90 0.00 1.75 1.67 1.00 0.75 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 12 V 7.49 3.33 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 1.01 0.00 0.00 0.22 0.00 0.00 13 E 7.67 3.93 0.00 1.88 1.95 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 2.22 2.38 0.00 14 A 7.94 4.00 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.75 3.63 0.00 0.93 0.26 0.74 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.87 4.23 0.00 3.26 3.15 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 17 L 7.58 3.88 0.00 1.75 1.84 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.78 3.71 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 0.86 0.00 0.00 0.96 0.00 0.00 19 C 8.56 4.30 0.00 3.17 3.16 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 20 G 8.20 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.09 3.85 0.00 1.95 2.05 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 2.31 2.33 0.00 22 R 7.80 3.83 0.00 2.06 2.00 0.00 3.38 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 23 G 9.15 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 24 F 7.53 4.91 0.00 3.19 3.01 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 25 F 9.02 4.50 0.00 3.06 3.07 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 0.00 0.00 0.00 0.00 26 Y 8.76 4.85 0.00 3.14 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 27 T 7.86 4.30 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 1.25 0.00 0.00 28 P 0.00 3.94 0.00 2.20 2.24 0.00 3.56 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 29 K 8.74 4.30 0.00 1.69 1.73 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.37 7.81 30 T 8.69 3.54 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