NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3064 8.3144 120.1358 56.0056 34.2233 175.3170 7 M 4.4624 7.5782 117.7456 50.6360 32.0718 171.9724 8 P 4.5097 0.0000 0.0000 62.0639 33.6079 176.3747 9 Q 4.5519 8.3023 118.6210 55.1648 30.1742 175.0137 10 F 4.7973 8.2661 121.2401 56.6903 42.5858 173.1727 11 N 4.8710 6.7947 121.6591 50.7565 39.7463 173.5760 12 L 4.4887 8.1246 120.7753 53.0039 43.5877 176.5033 13 R 4.4824 8.4163 121.1164 54.3496 31.1485 174.9829 14 W 5.2821 8.3237 121.7856 53.1326 33.1142 174.5391 15 P 4.4335 0.0000 0.0000 62.8340 32.5031 177.1303 16 R 3.9325 8.8579 120.9151 59.9723 29.8386 178.4399 17 E 3.9648 8.1436 117.4673 59.5023 29.5110 179.3558 18 V 3.5937 7.7423 117.6405 65.8434 31.6177 177.7724 19 L 4.2331 8.0548 118.6665 58.1129 41.5326 179.0747 20 D 4.3838 8.1902 118.6728 57.3912 40.7304 178.7660 21 L 3.9280 7.9914 120.5574 58.2785 42.0359 179.2286 22 V 3.6303 8.1316 118.3436 65.9198 31.5809 177.8830 23 R 3.8523 8.6180 118.8652 59.3014 29.9175 178.2728 24 K 3.8682 8.3464 119.7507 59.7714 32.0765 179.3264 25 V 3.5659 8.0111 112.3120 63.9074 31.3287 178.5313 26 A 3.3509 7.8854 121.2840 54.5657 18.1005 179.2863 27 E 3.8257 7.9938 117.7360 59.3093 29.4909 178.4261 28 E 3.9432 7.7230 117.5553 59.9036 29.7159 178.9381 29 N 4.6405 7.6080 111.5547 52.9121 38.7877 175.1537 30 G 3.9536 8.3614 108.6920 47.0224 0.0000 173.5971 31 M 4.8722 8.2792 116.9047 52.3313 36.4337 176.3597 32 S 4.5447 8.2570 115.7454 57.5875 65.7595 175.5817 33 V 3.6637 8.1388 120.9084 66.0588 31.1540 177.1072 34 N 4.2626 8.2502 116.3884 57.2194 38.6183 176.8184 35 S 4.1795 8.1447 116.2438 61.3929 62.8951 176.0000 36 Y 4.1198 8.1526 122.3733 61.0129 38.6458 178.4281 37 I 3.6945 8.2490 120.7988 64.2484 37.0255 177.8730 38 Y 3.9707 7.7351 120.8399 60.4109 38.5040 177.6219 39 Q 3.8572 8.2923 120.8715 59.1046 29.1802 178.2893 40 L 3.7546 7.4774 119.9403 57.5693 41.5513 179.5927 41 V 3.1238 7.4937 118.0431 66.2546 31.5374 178.0203 42 M 3.6625 7.6514 118.5425 58.2617 31.6455 178.6663 43 E 3.9263 8.3120 119.1939 59.1369 29.5157 179.4352 44 S 4.0148 7.7530 113.2525 61.3429 62.5432 176.0023 45 F 4.6157 7.9463 120.6657 60.6433 38.6255 177.3844 46 K 3.8502 7.9619 118.7493 59.6841 31.7692 178.5628 47 K 3.9420 7.9770 118.1863 59.2990 32.1349 177.5415 48 E 4.4338 8.1760 116.1511 55.5543 29.5273 176.8795 49 G 3.9421 8.0428 106.9790 46.3409 0.0000 174.4504 50 R 4.0325 8.4271 124.4439 56.1640 30.0089 176.4869 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 6 K 8.31 4.31 0.00 1.77 1.95 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.38 7.81 7 M 7.58 4.46 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 8 P 0.00 4.51 0.00 2.28 2.07 0.00 3.91 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 2.03 2.02 0.00 9 Q 8.30 4.55 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 10 F 8.27 4.80 0.00 2.96 2.89 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 11 N 6.79 4.87 0.00 2.61 2.54 0.00 0.00 5.98 7.79 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 12 L 8.12 4.49 0.00 1.08 0.69 -0.06 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.42 4.48 0.00 1.81 1.90 0.00 3.15 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 14 W 8.32 5.28 0.00 3.25 2.95 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 15 P 0.00 4.43 0.00 2.42 2.20 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 16 R 8.86 3.93 0.00 1.93 2.03 0.00 3.20 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 17 E 8.14 3.96 0.00 2.09 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 2.40 2.44 0.00 18 V 7.74 3.59 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 0.82 0.00 0.00 0.81 0.00 0.00 19 L 8.05 4.23 0.00 2.01 1.81 1.06 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.19 4.38 0.00 2.88 2.75 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 0.00 0.00 0.00 21 L 7.99 3.93 0.00 1.89 1.91 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.13 3.63 2.45 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 1.29 0.00 0.00 1.25 0.00 0.00 23 R 8.62 3.85 0.00 2.11 2.08 0.00 3.17 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 1.63 1.64 0.00 24 K 8.35 3.87 0.00 1.98 1.84 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.46 7.81 25 V 8.01 3.57 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.69 0.00 0.00 26 A 7.89 3.35 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 27 E 7.99 3.83 0.00 2.05 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 0.00 2.28 2.32 0.00 28 E 7.72 3.94 0.00 2.12 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 2.48 0.00 29 N 7.61 4.64 0.00 2.68 2.91 0.00 0.00 7.12 7.41 0.00 0.00 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 8.36 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 31 M 8.28 4.87 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.51 0.00 32 S 8.26 4.54 0.00 4.06 4.01 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 33 V 8.14 3.66 2.11 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 1.20 0.00 0.00 0.96 0.00 0.00 34 N 8.25 4.26 0.00 2.87 2.81 0.00 0.00 7.19 8.14 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 35 S 8.14 4.18 0.00 4.00 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 36 Y 8.15 4.12 0.00 3.24 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.25 3.69 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.87 0.96 0.00 0.00 38 Y 7.74 3.97 0.00 3.11 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 39 Q 8.29 3.86 0.00 2.34 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 40 L 7.48 3.75 0.00 1.67 1.52 0.67 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.49 3.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.76 0.00 0.00 42 M 7.65 3.66 0.00 1.80 1.79 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 43 E 8.31 3.93 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 44 S 7.75 4.01 0.00 3.86 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 45 F 7.95 4.62 0.00 2.97 2.95 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 46 K 7.96 3.85 0.00 1.93 2.07 0.00 1.64 0.00 0.00 1.56 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 47 K 7.98 3.94 0.00 1.96 1.99 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 48 E 8.18 4.43 0.00 2.20 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 2.34 2.43 0.00 49 G 8.04 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.43 4.03 0.00 1.74 1.61 0.00 3.04 0.00 0.00 2.93 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00