NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2350 8.1233 122.4549 51.8234 20.7008 176.0995 2 D 4.2448 8.6007 121.8554 53.4642 39.9212 175.4961 3 C 4.4906 9.1636 124.2004 59.6011 42.5103 174.0655 4 A 4.6824 7.2477 117.3618 50.8650 22.1375 175.4050 5 K 4.7821 9.2863 121.0176 53.8840 35.6472 176.9536 6 G 3.8814 7.6688 111.7855 44.2694 0.0000 172.4142 7 K 4.6662 7.8455 119.0971 55.6119 32.7044 176.7749 8 I 4.3097 7.9607 121.4103 60.1730 37.3827 175.6413 9 E 4.3183 8.8016 126.9263 58.9861 29.5685 177.6376 10 F 5.1356 7.4571 112.1097 55.8755 41.0405 172.6545 11 S 5.3501 8.8878 114.4643 56.8908 66.0668 173.2683 12 K 4.4567 8.6558 122.4281 55.0753 35.4874 174.2537 13 Y 4.5917 8.8387 129.4276 57.2002 39.3428 174.6128 14 N 4.8194 8.4642 124.6189 51.5781 40.3210 175.7543 15 E 3.9284 8.7995 121.1789 59.2483 29.6049 177.4261 16 D 4.5943 7.8606 115.1592 52.9659 39.6268 176.5356 17 D 4.1506 8.0881 118.3515 54.7489 39.0542 174.1870 18 T 4.2747 7.5411 110.7391 60.8698 71.2390 173.1983 19 F 5.2172 9.3631 123.7718 56.7268 42.5664 173.4154 20 T 5.2798 8.6597 123.1099 61.9560 71.3607 173.7849 21 V 4.7967 9.0839 118.5152 59.4396 36.0136 174.4956 22 K 4.6277 8.3177 126.5542 54.9102 33.5201 175.1567 23 V 4.4335 8.4234 128.0987 61.3589 34.7424 175.0255 24 D 4.2867 9.6383 126.9343 55.5113 39.3989 174.0668 25 G 3.9212 8.4426 102.5062 45.3133 0.0000 173.7683 26 K 4.5130 7.7874 118.8302 54.2315 35.9391 174.9363 27 E 4.8079 8.3043 123.6065 55.3244 31.2883 174.8119 28 Y 5.3755 9.2419 122.3734 55.8335 41.9690 174.5925 29 W 5.5868 8.7368 119.8124 55.0666 31.6188 174.4058 30 T 4.6327 9.2425 116.0248 60.3443 70.1374 174.3069 31 S 4.3514 8.6090 119.6517 57.9205 64.2068 174.2355 32 R 4.0010 7.5849 121.9977 55.7490 30.0833 177.0078 33 W 4.5286 8.8936 124.1855 60.3419 29.4659 178.2451 34 N 4.5640 8.3564 115.1000 55.7676 37.9553 176.7413 35 L 4.1428 7.9443 119.5184 56.5862 41.7448 178.9340 36 Q 3.2859 8.0343 119.4030 58.0276 28.7005 176.3492 37 P 4.1978 0.0000 0.0000 66.1343 30.9490 178.3573 38 L 3.9054 7.3547 116.6603 57.6119 41.6359 179.4358 39 L 4.2546 8.3147 119.2084 57.6691 41.5287 179.1265 40 L 4.1375 8.1358 120.3953 58.5401 42.0240 179.0847 41 S 4.1367 8.2407 114.6028 61.6186 62.7167 176.4023 42 A 4.0909 8.3286 123.4580 55.5486 18.1444 179.1846 43 Q 3.9569 8.4266 117.5992 59.7715 28.9615 178.6908 44 L 4.0468 7.8646 119.6771 57.2937 41.7539 178.4132 45 T 4.4862 7.5222 105.4121 60.3316 68.9784 173.9891 46 G 4.0546 8.4438 109.1873 47.0146 0.0000 174.2279 47 M 4.3539 8.2436 117.7792 55.5127 33.7309 176.0033 48 T 4.8581 8.4100 117.5702 62.5584 70.5251 174.5349 49 V 4.7659 8.6277 119.0949 59.7040 35.8558 174.9897 50 T 4.6893 8.2306 119.3523 61.7393 71.5206 173.4272 51 I 3.8291 8.1100 128.4654 60.5813 38.4564 175.4213 52 K 4.9959 8.1070 125.5273 54.7211 34.6491 175.5228 53 S 4.4478 8.4365 117.6454 57.1877 65.3246 174.2547 54 S 4.2214 8.9059 118.7991 60.8707 62.2488 174.3169 55 T 4.8145 7.4929 106.9692 60.1978 71.5364 173.9449 56 C 5.1405 8.5722 116.0360 56.0963 39.4994 174.7655 57 E 4.0374 8.1653 120.7372 56.0578 29.5488 176.0308 58 S 3.5220 8.5873 117.4030 60.4723 62.3370 173.9438 59 G 4.1668 8.5685 115.2458 45.2969 0.0000 173.7920 60 S 4.4425 7.9404 116.6773 58.1338 64.2271 173.9390 61 G 2.6599 8.0227 109.0736 45.1841 0.0000 173.0341 62 F 4.9804 7.9771 115.7035 54.5032 41.1628 174.1902 63 A 4.5355 8.5052 121.6766 51.3837 19.9960 175.3013 64 E 4.8458 8.3012 119.9909 56.0953 32.8887 174.4055 65 V 4.7785 8.3820 125.6178 60.1720 34.7573 173.8692 66 Q 4.5316 8.4748 124.7803 54.5994 31.1811 174.0018 67 F 4.9783 8.8774 124.4474 55.9637 41.2035 174.4140 68 N 4.9594 9.4687 122.4548 51.5338 40.4076 175.9983 69 N 4.1043 9.5214 122.3644 56.8237 39.6056 174.3804 70 D 4.7190 7.4921 120.8282 53.2175 41.0776 174.3515 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 8.12 4.23 1.23 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 0.00 0.00 2 D 8.60 4.24 0.00 2.59 2.57 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 0.00 0.00 0.00 0.00 3 C 9.16 4.49 0.00 2.46 2.81 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 4 A 7.25 4.68 1.17 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 0.00 0.00 0.00 5 K 9.29 4.78 0.00 1.57 1.56 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.32 7.81 6 G 7.67 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 0.00 0.00 0.00 7 K 7.85 4.67 0.00 1.75 1.77 0.00 1.79 0.00 0.00 2.13 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.37 7.81 8 I 7.96 4.31 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.51 0.96 0.00 0.00 9 E 8.80 4.32 0.00 1.76 1.83 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 2.33 2.20 0.00 10 F 7.46 5.14 0.00 3.03 3.14 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 11 S 8.89 5.35 0.00 3.67 4.07 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 0.00 0.00 0.00 0.00 12 K 8.66 4.46 0.00 1.79 1.64 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.83 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.47 1.37 7.81 13 Y 8.84 4.59 0.00 3.34 2.99 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 0.00 0.00 0.00 14 N 8.46 4.82 0.00 2.75 2.58 0.00 0.00 6.18 7.24 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 15 E 8.80 3.93 0.00 1.93 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 2.33 2.28 0.00 16 D 7.86 4.59 0.00 2.65 2.61 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 0.00 0.00 0.00 0.00 17 D 8.09 4.15 0.00 2.69 2.71 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 18 T 7.54 4.27 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 19 F 9.36 5.22 0.00 3.03 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.66 5.28 4.31 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 1.31 0.00 0.00 21 V 9.08 4.80 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 0.88 0.00 0.00 1.10 0.00 0.00 22 K 8.32 4.63 0.00 0.79 0.74 0.00 1.22 0.00 0.00 1.47 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.08 1.08 7.81 23 V 8.42 4.43 2.05 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 0.91 0.00 0.00 0.85 0.00 0.00 24 D 9.64 4.29 0.00 2.78 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 25 G 8.44 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 0.00 0.00 0.00 26 K 7.79 4.51 0.00 1.85 1.35 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.22 1.33 7.81 27 E 8.30 4.81 0.00 1.86 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 2.17 2.19 0.00 28 Y 9.24 5.38 0.00 2.78 2.98 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 0.00 0.00 0.00 29 W 8.74 5.59 0.00 3.40 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 30 T 9.24 4.63 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 1.14 0.00 0.00 31 S 8.61 4.35 0.00 3.83 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 32 R 7.58 4.00 0.00 1.85 1.92 0.00 3.31 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 33 W 8.89 4.53 0.00 3.44 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 34 N 8.36 4.56 0.00 2.81 2.93 0.00 0.00 7.13 6.74 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 35 L 7.94 4.14 0.00 1.95 1.83 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.03 3.29 0.00 2.16 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.09 2.49 0.00 37 P 0.00 4.20 0.00 2.24 2.32 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.09 0.00 38 L 7.35 3.91 0.00 2.04 1.67 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.31 4.25 0.00 1.92 2.10 1.41 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.14 4.14 0.00 1.86 1.74 1.20 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.24 4.14 0.00 4.05 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 42 A 8.33 4.09 1.64 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 0.00 0.00 43 Q 8.43 3.96 0.00 2.27 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.52 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 44 L 7.86 4.05 0.00 1.93 1.78 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.52 4.49 4.27 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 1.30 0.00 0.00 46 G 8.44 4.05 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 0.00 47 M 8.24 4.35 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.76 0.00 48 T 8.41 4.86 4.23 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 1.19 0.00 0.00 49 V 8.63 4.77 1.68 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 0.66 0.00 0.00 0.84 0.00 0.00 50 T 8.23 4.69 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 1.12 0.00 0.00 51 I 8.11 3.83 1.03 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.46 -0.33 0.00 0.00 52 K 8.11 5.00 0.00 1.62 1.59 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.32 7.81 53 S 8.44 4.45 0.00 3.72 3.86 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 0.00 0.00 0.00 0.00 54 S 8.91 4.22 0.00 3.84 3.86 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 0.00 0.00 0.00 0.00 55 T 7.49 4.81 4.61 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 0.00 0.00 0.00 1.22 0.00 0.00 56 C 8.57 5.14 0.00 2.97 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 57 E 8.17 4.04 0.00 2.08 1.88 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 2.41 2.38 0.00 58 S 8.59 3.52 0.00 3.66 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.57 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 0.00 0.00 0.00 0.00 60 S 7.94 4.44 0.00 4.06 3.83 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 61 G 8.02 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 7.98 4.98 0.00 2.95 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.51 4.54 1.16 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 0.00 0.00 0.00 64 E 8.30 4.85 0.00 2.01 1.91 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 2.25 2.31 0.00 65 V 8.38 4.78 1.77 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 0.86 0.00 0.00 0.21 0.00 0.00 66 Q 8.47 4.53 0.00 2.08 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 67 F 8.88 4.98 0.00 2.95 2.99 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 0.00 0.00 0.00 68 N 9.47 4.96 0.00 2.66 2.71 0.00 0.00 6.22 6.99 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 69 N 9.52 4.10 0.00 2.69 2.85 0.00 0.00 7.28 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.49 4.72 0.00 2.90 2.97 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