NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1639 8.2644 123.5792 53.2554 19.8696 175.4217 2 Q 3.8976 9.4369 125.6656 54.5849 28.5385 171.7913 3 H 4.7688 7.4059 110.6402 54.7841 31.8324 172.7398 4 D 4.6342 8.5479 116.0853 54.5813 38.8006 176.3389 5 E 4.4411 7.8103 122.4689 56.0275 31.4012 178.5103 6 A 3.9177 7.9357 123.4701 56.3392 18.5174 179.8342 7 Q 3.8748 7.9655 115.9220 59.2168 28.7751 178.9248 8 Q 3.5366 7.8378 118.2065 58.9558 28.7913 178.5448 9 N 4.2755 8.1557 117.1584 56.2096 38.5250 177.2627 10 A 3.9485 8.0703 122.1909 55.1316 18.4758 179.2682 11 F 4.2250 8.1943 119.0800 61.8392 39.3906 176.8703 12 Y 4.1753 7.8508 116.3208 61.1928 37.4581 178.7029 13 Q 3.9755 8.0354 117.5761 59.0707 28.9595 178.6698 14 V 3.7007 7.7400 117.9077 65.9414 31.5624 177.6350 15 L 4.0447 7.6065 117.4959 57.5229 42.8829 178.8275 16 N 4.9323 7.9148 115.9302 51.8853 36.1285 176.7147 17 M 4.5446 7.3362 121.1036 52.7050 32.8360 175.3442 18 P 4.4281 0.0000 0.0000 64.7551 32.1085 177.8799 19 N 4.5851 8.2741 115.9713 54.9656 39.0795 175.9459 20 L 4.3669 7.4286 116.7808 54.4631 42.3293 176.4710 21 N 4.7178 8.4434 118.8431 51.5538 39.2211 175.7196 22 A 3.9590 8.7050 120.6139 55.8013 18.1484 179.2071 23 D 4.2977 8.2108 115.4252 57.8241 41.1296 178.6627 24 Q 3.8227 7.8911 118.2626 58.9647 28.7890 178.7910 25 R 4.2164 8.0286 116.5963 59.5317 29.3928 178.3107 26 N 4.4428 8.7141 117.7347 55.8892 38.4978 177.2694 27 G 3.5951 8.1636 107.2677 48.1574 0.0000 175.6884 28 F 4.4019 7.9912 120.5783 59.9679 38.8304 177.8572 29 I 3.8883 8.1860 119.6918 64.7525 36.9343 178.4958 30 Q 4.0418 8.3614 118.8544 59.0589 28.3926 179.0831 31 S 4.1360 8.3845 116.3969 61.3172 62.5172 176.3958 32 L 3.9589 8.3083 123.2254 58.1725 41.6989 178.9564 33 K 3.9027 7.9088 116.9996 59.7194 32.1309 178.5036 34 D 4.5535 8.2001 116.7947 56.0511 42.7915 176.1362 35 D 4.9617 8.1501 119.8343 51.5289 40.9962 174.5275 36 P 4.4608 0.0000 0.0000 64.9294 32.0854 179.9836 37 S 4.1044 8.1104 112.5277 60.6816 63.0671 175.0619 38 Q 4.5755 7.8437 119.4147 55.9473 29.1795 177.7409 39 S 4.1012 7.7959 119.9970 61.7102 62.7599 176.3434 40 A 3.9445 7.9197 122.8375 55.0958 18.1232 179.0042 41 N 4.1809 8.0468 114.9487 56.8458 39.1142 176.8159 42 V 3.6068 7.9341 119.7979 66.0296 31.4758 177.6042 43 L 3.8849 8.2048 120.2276 58.0136 41.8446 178.9745 44 G 3.6215 8.0795 105.5851 47.9609 0.0000 175.2868 45 E 3.8611 8.2597 121.5757 58.8174 29.4210 179.3484 46 A 2.8325 7.1607 120.6226 54.8324 18.2531 179.4985 47 Q 3.7881 8.0521 118.3052 59.0574 29.0358 178.2717 48 K 3.8690 8.1438 120.8927 59.3433 32.2216 178.5553 49 L 4.0134 8.0444 122.1417 57.5924 41.8542 178.2030 50 N 4.2554 8.1139 116.0041 56.8018 39.1361 175.8753 51 D 4.4707 8.3373 119.6656 57.5081 41.2577 178.4099 52 S 4.2132 8.3440 114.8906 61.1804 62.6323 175.3246 53 Q 4.4949 7.8864 118.9713 54.6047 29.0026 175.7384 54 A 4.1866 7.3238 124.3092 51.3997 19.0519 176.8826 55 P 4.2469 0.0000 0.0000 64.6323 31.8859 176.4450 56 K 4.1228 8.1554 123.2839 56.2201 32.6175 175.3107 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 A 8.26 4.16 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.44 3.90 0.00 2.32 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 3 H 7.41 4.77 0.00 3.22 3.27 0.00 5.77 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.55 4.63 0.00 2.65 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 7.81 4.44 0.00 2.16 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.31 0.00 6 A 7.94 3.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.97 3.87 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.00 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 8 Q 7.84 3.54 0.00 2.11 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 7.07 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 9 N 8.16 4.28 0.00 2.80 2.87 0.00 0.00 7.01 8.17 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 10 A 8.07 3.95 1.38 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 0.00 0.00 11 F 8.19 4.22 0.00 3.01 3.05 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 12 Y 7.85 4.18 0.00 3.12 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.04 3.98 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 14 V 7.74 3.70 2.23 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 0.90 0.00 0.00 0.95 0.00 0.00 15 L 7.61 4.04 0.00 1.66 1.57 0.18 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.91 4.93 0.00 2.76 2.77 0.00 0.00 7.22 7.12 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 17 M 7.34 4.54 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.69 0.00 18 P 0.00 4.43 0.00 2.17 2.17 0.00 3.86 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 1.98 1.98 0.00 19 N 8.27 4.59 0.00 2.97 3.09 0.00 0.00 7.23 7.15 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 20 L 7.43 4.37 0.00 1.93 1.67 1.14 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.44 4.72 0.00 2.87 2.95 0.00 0.00 5.99 7.06 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 22 A 8.70 3.96 1.40 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 0.00 0.00 23 D 8.21 4.30 0.00 2.78 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.89 3.82 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.49 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 25 R 8.03 4.22 0.00 2.26 2.29 0.00 3.08 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.78 0.00 26 N 8.71 4.44 0.00 2.93 2.93 0.00 0.00 6.92 7.15 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 27 G 8.16 3.60 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 0.00 28 F 7.99 4.40 0.00 3.30 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 29 I 8.19 3.89 2.17 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.89 1.16 0.00 0.00 30 Q 8.36 4.04 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 31 S 8.38 4.14 0.00 4.17 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 32 L 8.31 3.96 0.00 1.97 1.87 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.91 3.90 0.00 1.92 1.85 0.00 1.90 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.57 7.81 34 D 8.20 4.55 0.00 2.72 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 35 D 8.15 4.96 0.00 2.82 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 4.46 0.00 2.19 2.28 0.00 3.86 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.90 0.00 37 S 8.11 4.10 0.00 4.00 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 38 Q 7.84 4.58 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 39 S 7.80 4.10 0.00 3.81 3.92 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 0.00 0.00 0.00 0.00 40 A 7.92 3.94 1.30 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 0.00 0.00 41 N 8.05 4.18 0.00 2.85 2.99 0.00 0.00 6.81 8.01 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 42 V 7.93 3.61 2.24 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 1.14 0.00 0.00 1.06 0.00 0.00 43 L 8.20 3.88 0.00 1.80 1.83 0.87 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.08 3.62 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 0.00 45 E 8.26 3.86 0.00 1.99 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 2.37 2.48 0.00 46 A 7.16 2.83 0.79 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 0.00 0.00 0.00 0.00 0.00 47 Q 8.05 3.79 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 48 K 8.14 3.87 0.00 1.92 1.94 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.49 7.81 49 L 8.04 4.01 0.00 2.02 1.87 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.11 4.26 0.00 2.79 2.99 0.00 0.00 7.22 9.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.34 4.47 0.00 2.86 2.80 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 0.00 0.00 0.00 52 S 8.34 4.21 0.00 4.09 4.18 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 53 Q 7.89 4.49 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 54 A 7.32 4.19 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.25 0.00 2.19 2.19 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 56 K 8.16 4.12 0.00 1.77 2.16 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.40 7.81