NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.1569 8.1844 120.6311 53.9895 43.9354 176.5349 3 D 4.5583 7.7124 117.9241 51.9115 41.9639 174.8689 4 K 3.9155 9.0113 129.2264 58.8680 32.4396 178.8140 5 W 4.4223 7.8330 119.0049 59.7215 29.1594 178.1700 6 A 4.3530 8.2791 120.3957 55.3247 18.0349 179.7140 7 S 4.2253 8.0038 113.5563 61.7863 62.8486 176.9484 8 L 4.1258 8.3104 121.8367 57.5216 41.3047 179.4271 9 W 4.3963 8.4888 119.0526 60.0355 29.0465 178.3511 10 N 4.5708 8.4740 116.3031 56.1946 38.0347 177.3804 11 W 4.1887 8.4503 129.4500 60.3796 30.7788 177.9107 12 F 4.7707 9.0018 121.0250 61.2574 38.9241 177.0219 13 N 4.2390 8.9404 116.6706 56.3532 38.4140 177.4561 14 I 3.7554 7.8231 120.9771 64.6906 37.1438 178.2877 15 T 3.4971 7.3703 116.5162 66.8993 68.1728 175.8289 16 N 4.4214 8.1534 118.4546 56.7352 38.8492 176.6322 17 W 4.4214 8.2425 129.2207 60.2715 30.8402 178.1857 18 L 3.6598 8.1395 119.1955 57.1754 41.0553 179.1137 19 W 4.3435 8.1072 119.3046 60.1092 29.0085 177.5991 20 Y 4.1619 8.4053 119.4484 61.0961 38.1459 178.4780 21 I 3.2847 7.5191 120.3250 64.0753 37.0877 178.7009 22 K 3.8709 7.8438 119.2239 59.6262 31.9199 179.6498 23 I 3.7887 8.4256 120.3433 64.1863 37.0426 178.3367 24 E 3.7609 8.0192 119.8006 59.2783 29.2040 179.0034 25 E 3.8733 8.0424 119.3116 59.0628 29.6759 178.7932 26 L 3.9483 7.8288 119.0523 57.8209 41.7347 179.5675 27 K 3.9239 8.3401 118.7118 59.6923 31.8832 179.5907 28 S 4.1208 7.9609 115.0228 61.4120 62.7000 176.8469 29 K 3.9362 8.0397 121.2145 59.5802 31.7658 179.4651 30 I 3.7008 7.8660 120.0389 64.2189 36.9330 178.4781 31 K 4.0874 8.1958 120.5655 59.4317 32.0241 178.8688 32 R 3.8635 8.3135 119.3948 59.3146 29.9856 178.5693 33 I 3.6502 7.9056 119.5901 64.4245 37.1816 177.9436 34 E 3.9608 8.2387 119.3830 59.7997 29.3597 179.3278 35 N 4.3233 8.3334 116.2696 56.2369 38.5722 177.0507 36 E 3.8902 8.1876 120.5906 59.3908 29.7613 178.8545 37 I 3.6766 7.7853 119.7260 64.3143 37.0729 178.2429 38 K 3.8329 8.0938 119.2738 59.8107 31.7299 179.2025 39 R 3.9145 7.6393 117.1683 59.5244 30.0285 178.3243 40 I 3.8932 7.5713 118.8825 64.1159 37.2131 178.0996 41 K 4.2075 7.8444 118.0816 57.9769 32.1027 177.7237 42 K 4.2896 7.7111 123.4210 57.2108 32.8011 176.5395 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 L 8.18 4.16 0.00 1.67 1.82 0.93 0.68 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 3 D 7.71 4.56 0.00 2.92 2.64 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 4 K 9.01 3.92 0.00 1.35 1.39 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.39 7.81 5 W 7.83 4.42 0.00 3.63 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 A 8.28 4.35 1.45 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 0.00 0.00 0.00 7 S 8.00 4.23 0.00 4.02 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.31 4.13 0.00 1.76 1.70 0.79 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 9 W 8.49 4.40 0.00 3.85 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.47 4.57 0.00 3.12 3.00 0.00 0.00 6.66 7.57 0.00 0.00 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 W 8.45 4.19 0.00 3.49 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 12 F 9.00 4.77 0.00 3.27 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.94 4.24 0.00 3.13 2.86 0.00 0.00 7.00 6.56 0.00 0.00 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 I 7.82 3.76 1.77 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.75 0.90 0.00 0.00 15 T 7.37 3.50 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 1.08 0.00 0.00 16 N 8.15 4.42 0.00 2.69 2.85 0.00 0.00 6.97 7.51 0.00 0.00 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 W 8.24 4.42 0.00 3.36 3.30 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 0.00 18 L 8.14 3.66 0.00 1.38 1.34 0.74 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 19 W 8.11 4.34 0.00 3.42 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 20 Y 8.41 4.16 0.00 3.19 3.18 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 0.00 21 I 7.52 3.28 1.64 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.15 0.64 0.00 0.00 22 K 7.84 3.87 0.00 2.08 1.91 0.00 1.06 0.00 0.00 1.33 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.41 7.81 23 I 8.43 3.79 1.84 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.95 0.89 0.00 0.00 24 E 8.02 3.76 0.00 1.75 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 25 E 8.04 3.87 0.00 1.95 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 2.26 2.29 0.00 26 L 7.83 3.95 0.00 1.89 1.69 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.34 3.92 0.00 1.84 1.83 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.64 7.81 28 S 7.96 4.12 0.00 4.02 3.88 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 29 K 8.04 3.94 0.00 1.98 1.84 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 30 I 7.87 3.70 2.01 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 1.40 0.66 0.90 0.00 0.00 31 K 8.20 4.09 0.00 1.86 1.93 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.48 7.81 32 R 8.31 3.86 0.00 1.95 2.13 0.00 3.14 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 33 I 7.91 3.65 2.01 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 1.52 0.75 0.91 0.00 0.00 34 E 8.24 3.96 0.00 2.00 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 2.33 2.59 0.00 35 N 8.33 4.32 0.00 2.93 2.86 0.00 0.00 6.73 7.86 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 36 E 8.19 3.89 0.00 2.15 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 0.00 2.30 2.39 0.00 37 I 7.79 3.68 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 1.52 0.48 0.91 0.00 0.00 38 K 8.09 3.83 0.00 2.16 1.88 0.00 1.55 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.51 7.81 39 R 7.64 3.91 0.00 1.98 2.09 0.00 3.26 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 40 I 7.57 3.89 2.03 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 1.52 0.72 0.91 0.00 0.00 41 K 7.84 4.21 0.00 1.74 1.86 0.00 1.70 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.50 7.81 42 K 7.71 4.29 0.00 1.88 1.79 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.45 7.81