NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4307 8.1633 120.2828 55.2117 34.1688 173.8182 2 Q 4.6558 8.4293 121.2080 54.9382 29.8906 173.4901 3 Y 5.0893 9.5722 122.2454 56.1887 41.8321 174.3309 4 K 5.2253 9.2033 122.7893 54.6159 35.9196 174.3756 5 L 4.8761 8.8065 128.0049 53.1030 44.9151 174.9249 6 V 4.5593 8.6182 126.6048 61.2948 33.8052 174.1741 7 I 4.4374 8.7170 129.5951 59.5299 39.2473 175.3239 8 N 5.3347 8.8285 127.5417 51.6263 37.5055 174.2038 9 G 4.1366 8.3437 109.1145 44.6671 0.0000 172.7525 10 K 4.2601 9.3866 119.9963 58.9992 32.1039 178.7866 11 T 4.4130 7.8173 112.4211 63.1328 71.1647 173.7909 12 L 4.6894 7.7207 123.1662 52.9168 43.7720 175.0130 13 K 5.1279 9.0736 124.3203 53.6015 36.6966 177.4153 14 G 4.0355 7.3984 108.8676 46.3240 0.0000 170.7848 15 E 5.1950 8.1489 120.6049 55.5368 34.0768 174.3289 16 T 4.8206 8.7512 115.9808 61.3282 71.7209 171.9807 17 T 5.4370 8.2506 112.9072 60.7340 72.4117 172.6945 18 T 4.7086 9.1455 115.1144 60.9615 71.3083 172.0897 19 K 5.2710 8.5254 124.9945 54.9263 34.1476 175.4162 20 A 4.6770 8.7397 124.6277 50.9766 22.0331 176.9748 21 V 3.8271 8.5368 112.7343 63.7628 32.3360 176.5972 22 D 4.8293 7.5643 117.8477 50.9226 43.4166 175.8693 23 A 3.4453 8.4830 121.5667 54.9223 18.2924 179.7032 24 E 3.8265 7.9539 115.8280 59.8063 29.8467 179.4518 25 T 3.7248 8.6727 116.8806 66.1716 68.3744 176.6396 26 A 3.4412 7.3874 122.2846 54.6807 18.2479 179.1769 27 E 3.1955 8.0269 118.1908 59.2121 29.6485 179.2422 28 K 3.7805 7.7076 118.1319 59.3002 32.0823 179.2024 29 A 3.8765 7.5109 120.5825 55.2314 18.1950 179.7899 30 F 4.6407 7.9793 116.5932 60.6725 38.9547 178.2020 31 K 3.9879 8.4138 118.7661 59.2654 31.6539 179.2462 32 Q 3.9666 8.1558 120.0524 59.2131 29.1269 177.4709 33 Y 4.1355 8.3473 120.3887 60.7517 38.7928 178.0191 34 A 3.9713 8.7585 121.9518 55.3072 18.5717 179.3312 35 N 4.2903 8.3700 114.9579 56.7203 38.4319 177.4443 36 D 4.4337 8.2723 119.2275 56.6195 40.8736 177.5922 37 N 4.7443 7.4562 114.1068 52.1683 38.7826 175.3808 38 G 3.8244 7.6459 107.8787 46.1765 0.0000 173.7513 39 V 4.1443 7.8280 119.7264 61.4360 32.1046 175.5102 40 D 4.8003 8.9550 126.7964 52.1811 41.6545 174.2659 41 G 4.1233 8.1647 113.9276 44.1417 0.0000 169.3961 42 V 4.6700 8.0449 111.6275 59.6176 34.1171 175.4272 43 W 5.4767 9.0738 123.0853 55.2830 32.0164 174.9875 44 T 5.0105 8.9393 112.1181 60.3019 72.0331 171.9910 45 Y 5.0495 8.3992 122.1350 55.9861 42.7841 172.9686 46 D 4.5658 7.8457 126.2496 52.1792 42.6471 176.1805 47 D 4.0619 8.5456 125.7225 56.2228 41.6497 177.2829 48 A 4.0779 8.5121 122.4504 54.3581 18.3741 178.0439 49 T 4.3689 7.7436 102.3645 60.4192 69.8661 173.9483 50 K 4.0457 7.5792 120.6602 58.4488 30.5918 174.4079 51 T 5.3268 7.5133 113.1045 61.9450 72.0676 173.9076 52 F 5.5980 9.6473 124.8967 56.4136 41.9834 174.9762 53 T 5.1283 8.9673 118.1229 61.6951 72.6235 173.2637 54 V 4.3186 8.2656 124.5275 59.8259 34.4493 174.3109 55 T 4.9205 8.3381 118.8437 60.1473 70.5914 173.4127 56 E 4.2942 8.5494 126.8345 56.5160 29.2952 176.0471 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 4.43 0.00 1.60 1.83 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 2 Q 8.43 4.66 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 3 Y 9.57 5.09 0.00 3.16 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.20 5.23 0.00 1.92 1.73 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.51 7.81 5 L 8.81 4.88 0.00 0.27 0.73 0.68 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.62 4.56 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 0.87 0.00 0.00 0.97 0.00 0.00 7 I 8.72 4.44 1.86 0.00 0.00 1.00 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 0.78 0.89 0.00 0.00 8 N 8.83 5.33 0.00 2.65 2.68 0.00 0.00 6.39 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 9 G 8.34 4.14 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 0.00 0.00 0.00 10 K 9.39 4.26 0.00 1.70 1.87 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.39 7.81 11 T 7.82 4.41 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 1.19 0.00 0.00 12 L 7.72 4.69 0.00 1.67 1.47 0.93 0.35 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 13 K 9.07 5.13 0.00 1.70 1.61 0.00 1.95 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.39 7.81 14 G 7.40 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 0.00 0.00 0.00 15 E 8.15 5.19 0.00 1.80 1.79 0.00 0.00 0.00 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 2.29 0.00 16 T 8.75 4.82 4.17 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 0.65 0.00 0.00 17 T 8.25 5.44 4.45 0.00 0.00 0.00 0.00 0.00 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 18 T 9.15 4.71 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 0.47 0.00 0.00 19 K 8.53 5.27 0.00 1.68 1.73 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.37 7.81 20 A 8.74 4.68 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.54 3.83 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 0.92 0.00 0.00 22 D 7.56 4.83 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.48 3.45 1.09 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 0.00 0.00 24 E 7.95 3.83 0.00 2.12 2.14 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 2.42 2.30 0.00 25 T 8.67 3.72 4.26 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 1.09 0.00 0.00 26 A 7.39 3.44 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 3.20 0.00 1.92 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 1.94 1.97 0.00 28 K 7.71 3.78 0.00 1.84 1.72 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.31 7.81 29 A 7.51 3.88 1.05 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 0.00 0.00 30 F 7.98 4.64 0.00 2.88 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 31 K 8.41 3.99 0.00 1.53 1.68 0.00 1.26 0.00 0.00 0.89 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.66 1.15 7.81 32 Q 8.16 3.97 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 33 Y 8.35 4.14 0.00 3.24 3.38 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 34 A 8.76 3.97 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 0.00 0.00 0.00 0.00 0.00 35 N 8.37 4.29 0.00 2.93 2.89 0.00 0.00 7.09 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 36 D 8.27 4.43 0.00 2.71 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 N 7.46 4.74 0.00 2.41 2.61 0.00 0.00 6.03 6.61 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 38 G 7.65 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 0.00 0.00 0.00 39 V 7.83 4.14 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 0.69 0.00 0.00 0.87 0.00 0.00 40 D 8.96 4.80 0.00 2.65 2.54 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 0.00 41 G 8.16 4.12 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 0.00 0.00 0.00 42 V 8.04 4.67 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 0.74 0.00 0.00 0.99 0.00 0.00 43 W 9.07 5.48 0.00 3.22 3.40 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 44 T 8.94 5.01 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 1.27 0.00 0.00 45 Y 8.40 5.05 0.00 2.78 2.77 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 46 D 7.85 4.57 0.00 2.56 2.25 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 0.00 47 D 8.55 4.06 0.00 2.62 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.51 4.08 1.25 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 0.00 0.00 0.00 49 T 7.74 4.37 4.20 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 1.16 0.00 0.00 50 K 7.58 4.05 0.00 1.92 1.80 0.00 1.64 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.39 7.81 51 T 7.51 5.33 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 1.30 0.00 0.00 52 F 9.65 5.60 0.00 3.07 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.97 5.13 4.24 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 1.14 0.00 0.00 54 V 8.27 4.32 0.67 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 0.53 0.00 0.00 0.30 0.00 0.00 55 T 8.34 4.92 4.16 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 1.22 0.00 0.00 56 E 8.55 4.29 0.00 1.88 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 2.37 2.19 0.00