NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.1610 8.4449 120.3592 56.1228 31.0046 172.0910 3 Y 4.8568 8.3576 119.8507 55.5546 39.7818 172.8133 4 E 4.1742 9.4975 122.6718 56.7725 31.1070 176.2564 5 E 4.6407 8.6165 120.6610 55.3494 33.1825 175.4882 6 G 3.9011 8.8581 106.7342 43.6673 0.0000 171.2509 7 P 4.2421 0.0000 0.0000 64.2762 31.4973 177.5499 8 G 3.9025 8.8813 109.7530 45.5266 0.0000 173.8024 9 K 4.4344 8.0757 117.1373 55.9215 34.0319 175.9462 10 N 4.8967 7.8160 116.4181 51.9731 37.9742 174.7343 11 I 4.4701 7.0429 110.0044 59.9570 40.5089 172.7205 12 P 4.4948 0.0000 0.0000 62.9749 31.7040 175.6033 13 F 4.9672 6.8659 113.1593 54.8832 40.6874 174.3909 14 S 4.3492 8.5718 116.5231 58.1646 62.9192 174.2335 15 V 4.4532 7.9869 119.2466 61.1494 32.1473 176.4902 16 E 4.0038 8.1779 123.8249 58.2683 29.7206 176.7425 17 N 4.9676 7.8587 117.2104 50.8900 41.4150 174.8536 18 K 3.8210 8.3963 125.0977 58.8429 32.6470 178.8297 19 W 4.5228 7.8359 119.8832 58.9164 29.7443 178.0173 20 R 3.9684 8.7871 119.1124 59.4380 29.4293 178.1175 21 L 3.9337 8.2172 120.2475 58.0839 42.0430 178.3921 22 L 3.9288 7.9778 119.9107 58.4914 42.0538 178.7782 23 A 4.0689 8.2358 120.3187 55.6450 18.2966 179.5621 24 M 4.0778 8.0522 117.0643 58.6659 32.0044 178.8655 25 M 4.1297 8.5131 119.3448 58.5890 32.1304 178.8883 26 T 3.9793 8.2029 115.8976 66.8388 68.6714 176.6775 27 L 4.0662 7.9337 120.6892 58.0531 41.0682 178.8841 28 F 4.0303 8.4320 120.8386 61.2799 39.2315 177.1739 29 F 4.2013 8.7888 117.4633 60.3177 38.9370 177.9102 30 G 3.8654 8.3850 105.7604 48.0652 0.0000 175.8172 31 S 4.2931 8.3797 116.9926 60.9567 62.7604 176.8598 32 G 3.4972 7.4452 107.6428 47.6080 0.0000 175.2222 33 F 4.4344 8.3462 122.0842 60.8476 39.6285 176.6929 34 A 4.5008 8.4193 120.3186 54.5863 18.3195 179.2308 35 A 4.0606 8.0882 119.6722 55.2852 18.3821 178.0910 36 P 4.0825 0.0000 0.0000 65.6651 31.2791 178.7755 37 F 3.7940 7.7764 116.1300 60.4328 38.7309 177.3364 38 F 4.0594 8.1657 116.7518 59.8564 38.7808 178.1760 39 I 3.7934 7.9926 119.9599 64.1070 36.8827 178.3632 40 V 3.5051 7.9374 119.4553 66.0211 31.3480 178.0130 41 R 3.8280 7.8913 118.3137 59.6107 29.6784 177.6812 42 H 4.1376 8.2926 117.1255 59.6145 30.2391 176.8819 43 Q 4.0443 8.2920 119.6508 58.9612 28.3436 178.6599 44 L 4.0441 8.0654 119.1694 57.6825 41.6932 178.8058 45 L 4.3734 8.1609 115.9862 54.8536 41.4542 177.5242 46 K 4.3354 7.4431 119.7524 57.4592 33.4748 175.8123 47 K 4.0314 7.6699 122.5823 56.9407 32.0031 174.5969 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 2 H 8.44 4.16 0.00 3.02 3.16 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.36 4.86 0.00 3.20 2.76 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 4 E 9.50 4.17 0.00 1.96 1.89 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 2.35 2.29 0.00 5 E 8.62 4.64 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 6 G 8.86 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 2.02 2.00 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 8 G 8.88 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 4.43 0.00 1.84 1.77 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.44 7.81 10 N 7.82 4.90 0.00 2.77 2.85 0.00 0.00 5.84 7.81 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 11 I 7.04 4.47 0.80 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.14 0.72 0.00 0.00 12 P 0.00 4.49 0.00 2.21 2.16 0.00 3.73 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 2.15 1.98 0.00 13 F 6.87 4.97 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.57 4.35 0.00 3.84 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.99 4.45 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 0.84 0.00 0.00 0.86 0.00 0.00 16 E 8.18 4.00 0.00 1.93 1.98 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 2.32 2.29 0.00 17 N 7.86 4.97 0.00 2.74 2.65 0.00 0.00 6.96 7.44 0.00 0.00 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 K 8.40 3.82 0.00 1.53 1.71 0.00 0.65 0.00 0.00 1.13 0.00 0.00 2.73 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.65 0.21 7.81 19 W 7.84 4.52 0.00 3.62 3.28 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 20 R 8.79 3.97 0.00 1.93 1.99 0.00 3.14 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 21 L 8.22 3.93 0.00 1.88 1.78 1.10 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.98 3.93 0.00 2.02 2.05 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.24 4.07 1.43 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 0.00 0.00 0.00 24 M 8.05 4.08 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.75 0.00 25 M 8.51 4.13 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.46 0.00 26 T 8.20 3.98 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 27 L 7.93 4.07 0.00 1.92 1.75 0.95 1.00 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 28 F 8.43 4.03 0.00 3.02 2.83 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 29 F 8.79 4.20 0.00 3.35 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 30 G 8.38 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.38 4.29 0.00 4.01 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 32 G 7.45 3.50 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 0.00 33 F 8.35 4.43 0.00 3.06 3.23 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 34 A 8.42 4.50 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 4.06 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 36 P 0.00 4.08 0.00 1.56 1.82 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.05 0.00 37 F 7.78 3.79 0.00 3.16 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.17 4.06 0.00 3.23 3.20 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 39 I 7.99 3.79 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 1.41 0.77 0.91 0.00 0.00 40 V 7.94 3.51 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.79 0.00 0.00 41 R 7.89 3.83 0.00 1.87 2.03 0.00 3.03 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 42 H 8.29 4.14 0.00 3.23 3.50 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.29 4.04 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 44 L 8.07 4.04 0.00 1.66 1.72 0.89 0.94 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 45 L 8.16 4.37 0.00 1.64 1.69 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.44 4.34 0.00 1.97 1.74 0.00 1.63 0.00 0.00 1.49 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.31 7.81 47 K 7.67 4.03 0.00 1.69 1.57 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 1.39 7.81