NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1089 8.0093 120.7867 61.0660 39.1496 174.5266 2 T 4.4934 8.2276 116.1093 59.4643 71.3109 171.6294 3 A 4.6995 8.7654 125.0320 50.2635 23.2335 177.6134 4 K 4.2236 8.3491 119.0062 55.4986 32.8171 175.7454 5 P 4.3358 0.0000 0.0000 61.9280 31.8768 176.4395 6 A 3.9840 8.5580 123.2405 52.7744 18.5369 178.0680 7 K 4.1431 8.8959 123.3297 59.2152 32.7575 177.7594 8 T 4.6302 7.3312 106.2252 58.3470 68.2700 171.4532 9 P 4.1806 0.0000 0.0000 64.1149 32.3738 176.8314 10 T 5.1008 8.3320 117.4711 60.5652 69.2227 174.9266 11 S 4.3347 8.2612 121.9303 57.5697 64.9632 173.0504 12 P 4.3251 0.0000 0.0000 65.5567 30.9533 178.8257 13 K 3.8683 7.9891 117.8910 59.6623 32.2434 178.3428 14 E 3.9562 8.1690 118.7047 59.7778 29.3403 179.5803 15 Q 3.9857 8.5815 118.0830 58.5974 28.6444 178.4053 16 A 3.9129 8.2464 122.2252 55.5668 18.3253 179.3449 17 I 3.7329 7.9366 118.4316 64.0726 37.1637 178.6042 18 G 4.0823 8.2740 106.0933 48.2378 0.0000 174.7644 19 L 3.8239 8.0664 123.2817 57.7106 42.0582 178.9857 20 S 4.0326 8.1906 114.9369 61.9563 62.9546 177.1347 21 V 3.6677 8.5649 121.1055 66.3987 31.3287 178.2753 22 T 4.1034 8.0597 115.3923 66.6512 68.3700 176.8226 23 F 4.2642 9.1771 120.1020 60.7966 38.9915 177.8373 24 L 4.1612 8.2970 118.7885 57.6847 41.1545 179.6924 25 S 4.2384 8.2647 113.6255 61.1272 62.2208 176.0431 26 F 4.3980 8.1491 120.0848 59.8211 38.9265 178.0031 27 L 4.2948 8.3152 118.7462 57.4459 41.5009 179.4938 28 L 4.0858 8.1217 119.0331 57.2284 41.7304 177.6274 29 P 4.3093 0.0000 0.0000 65.5540 31.3518 178.5781 30 A 4.2120 7.6840 116.5904 55.0001 18.3069 179.6251 31 G 3.8065 8.4579 104.6490 47.9092 0.0000 175.3083 32 W 4.2617 8.8462 131.4421 60.2203 30.5064 177.8738 33 V 3.7654 8.1132 116.6849 66.4268 31.1678 177.7861 34 L 4.1767 8.5504 118.8882 57.8500 41.1914 178.8839 35 Y 3.9250 8.5509 119.2614 60.3909 39.0721 176.7332 36 H 4.1931 7.7984 114.4050 55.3064 28.8742 176.7457 37 L 3.7685 7.0629 123.0903 58.2737 41.2807 179.0215 38 D 4.2218 7.5976 115.7989 57.0772 41.2621 177.5155 39 N 4.3738 7.5302 116.5937 56.1786 38.4787 176.6710 40 Y 4.5182 7.1522 117.0387 61.5664 38.2638 177.1414 41 K 4.0241 7.7145 117.9033 57.9205 32.7573 177.5289 42 K 4.3404 7.4536 130.1412 55.1896 31.4109 177.0429 43 S 4.2456 8.1089 119.7085 58.7948 63.7073 175.1235 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 I 8.01 4.11 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 1.47 1.35 0.91 0.00 0.00 2 T 8.23 4.49 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 1.21 0.00 0.00 3 A 8.77 4.70 1.21 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 0.00 0.00 0.00 4 K 8.35 4.22 0.00 1.76 1.76 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.46 7.81 5 P 0.00 4.34 0.00 2.04 1.98 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 6 A 8.56 3.98 1.28 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 0.00 0.00 7 K 8.90 4.14 0.00 1.76 1.89 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 8 T 7.33 4.63 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 1.21 0.00 0.00 9 P 0.00 4.18 0.00 2.05 2.05 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.21 0.00 10 T 8.33 5.10 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 1.24 0.00 0.00 11 S 8.26 4.33 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.16 2.14 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 13 K 7.99 3.87 0.00 1.77 1.79 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.47 7.81 14 E 8.17 3.96 0.00 2.31 1.99 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 2.33 2.36 0.00 15 Q 8.58 3.99 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 16 A 8.25 3.91 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 17 I 7.94 3.73 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.02 0.91 0.00 0.00 18 G 8.27 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.07 3.82 0.00 1.77 1.69 0.50 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.19 4.03 0.00 4.01 3.91 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 21 V 8.56 3.67 2.22 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 1.07 0.00 0.00 0.99 0.00 0.00 22 T 8.06 4.10 4.58 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 1.45 0.00 0.00 23 F 9.18 4.26 0.00 2.95 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 24 L 8.30 4.16 0.00 1.79 1.79 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.26 4.24 0.00 4.04 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 0.00 26 F 8.15 4.40 0.00 3.23 3.06 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 0.00 0.00 0.00 27 L 8.32 4.29 0.00 1.78 1.78 0.98 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.12 4.09 0.00 1.82 1.75 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.31 0.00 2.19 2.10 0.00 3.74 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 30 A 7.68 4.21 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.46 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 32 W 8.85 4.26 0.00 3.36 3.44 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 0.00 0.00 0.00 0.00 33 V 8.11 3.77 2.40 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 1.08 0.00 0.00 1.32 0.00 0.00 34 L 8.55 4.18 0.00 2.12 1.75 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.55 3.92 0.00 2.96 3.04 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 36 H 7.80 4.19 0.00 2.61 2.30 0.00 5.91 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.06 3.77 0.00 1.64 1.67 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.60 4.22 0.00 2.45 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.53 4.37 0.00 2.37 2.74 0.00 0.00 7.05 7.22 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 40 Y 7.15 4.52 0.00 2.93 2.90 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 41 K 7.71 4.02 0.00 1.66 1.79 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.59 7.81 42 K 7.45 4.34 0.00 1.68 1.73 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.50 7.81 43 S 8.11 4.25 0.00 4.17 3.74 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