NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 Q 4.3027 8.3449 119.6895 56.1270 30.0692 174.8797 17 Y 4.3075 7.4975 114.0730 55.2684 41.9886 174.9068 18 N 4.7058 8.3358 121.2297 51.0618 42.8724 175.7540 19 W 4.5294 8.6267 118.9053 60.2499 27.6282 178.3179 20 V 3.5097 6.8146 117.8550 65.7764 30.9011 177.3895 21 A 3.9603 7.9096 119.7385 55.5758 18.1414 180.0711 22 C 4.3368 7.9336 113.4327 60.0906 40.8282 176.2921 23 G 3.7999 8.7570 107.5334 48.1430 0.0000 175.3608 24 I 3.7022 8.2537 123.1734 63.8872 37.1012 177.9406 25 L 3.9025 8.3360 121.1832 58.2167 41.8068 178.2129 26 E 4.0056 8.8535 119.4054 59.4939 29.3788 179.0393 27 G 3.9173 8.3625 105.5923 48.0787 0.0000 175.6031 28 G 3.5054 8.4017 108.9993 47.4373 0.0000 175.5287 29 L 4.1087 8.2296 121.2092 56.9087 41.7216 179.3785 30 K 3.9103 8.8648 120.5407 59.2157 31.9347 178.4083 31 A 3.9933 8.7026 120.9527 55.3895 18.4537 179.2069 32 A 4.1663 8.0071 115.6425 52.4960 18.3503 178.1192 33 G 3.9106 7.7520 105.0215 46.2302 0.0000 175.3550 34 V 3.8962 7.6671 114.2866 62.6582 32.1760 176.7733 35 L 4.5468 7.6242 120.3175 54.4076 42.8461 175.0946 36 E 4.6992 8.6066 123.9713 54.0487 32.9519 174.6780 37 E 3.9441 8.6623 124.5025 57.3897 30.2010 176.4940 38 G 3.7988 8.5073 111.5570 46.5727 0.0000 173.3892 39 Q 4.4523 7.6727 119.5028 55.1319 30.5913 174.2198 40 Y 4.9411 8.2569 119.8749 55.9434 41.4638 176.5279 41 N 4.2684 8.4580 119.8291 57.1131 38.9531 176.7820 42 R 4.3400 8.1577 115.0354 57.2840 30.1665 178.0602 43 E 3.9343 8.2704 119.8314 59.4463 29.4913 178.7477 44 L 3.9145 7.8945 119.3629 58.2242 42.3570 178.7408 45 A 4.2049 8.0261 120.6860 55.3436 18.3711 179.5098 46 E 3.9069 8.9126 117.2607 59.4463 29.2575 179.3593 47 A 4.0178 8.0008 120.8031 55.2678 18.2148 179.7943 48 I 3.7151 8.1509 117.3371 64.5059 37.5352 178.2887 49 A 4.0840 8.0254 121.1974 54.8118 18.1165 179.6245 50 A 3.9164 7.9260 119.2139 55.3590 18.3717 179.8806 51 K 4.0231 7.5667 113.9430 58.6948 32.1949 178.4921 52 G 4.0122 7.5770 103.9079 44.1772 0.0000 174.2914 53 E 4.5308 7.3760 120.5871 54.3455 29.6391 176.6359 54 G 4.2211 7.2079 119.5412 45.9064 0.0000 173.4613 55 F 4.1537 9.0984 126.3346 60.7618 38.9348 176.1012 56 W 4.2931 7.9300 118.1933 60.1569 28.6980 178.3449 57 T 3.9797 8.1945 109.3952 65.1077 67.7061 176.2624 58 T 3.8259 7.2225 110.3809 64.9293 69.0579 176.5803 59 Q 3.9665 7.2806 119.2306 56.1098 29.0184 176.0650 60 F 4.9030 8.1488 118.3361 54.2990 41.6726 173.5690 61 P 4.3278 0.0000 0.0000 65.3439 30.9362 178.1176 62 Q 4.0192 8.3741 118.1385 59.7931 28.7235 179.0546 63 I 4.1979 7.9747 119.9563 63.8721 37.2239 178.3747 64 G 3.7793 8.2531 106.5435 47.9054 0.0000 174.9727 65 D 4.3276 8.0986 119.6725 56.9811 41.3707 177.7685 66 W 4.5421 7.9594 128.9102 60.8120 30.4597 177.3732 67 N 4.0137 8.5559 116.8518 56.8784 38.5629 176.8260 68 E 3.9832 8.2827 119.8149 59.4036 29.4324 178.9916 69 D 4.3744 8.6850 119.5638 57.5740 41.0097 178.6664 70 Q 4.0620 8.8109 118.5431 59.0924 28.6838 179.0220 71 A 4.1346 8.3130 121.6777 54.9882 18.2368 179.4989 72 A 4.0348 7.9890 119.0503 54.7912 18.4494 179.8460 73 A 3.9246 8.1021 119.6020 55.3271 18.7110 179.5953 74 L 3.8763 8.5070 118.9860 58.2160 42.2068 178.9399 75 A 4.1451 7.9421 120.2876 54.4945 18.3242 179.4843 76 D 4.2737 7.8177 117.7314 57.7481 41.0042 178.7921 77 R 3.9866 8.3988 119.7269 58.6402 30.0732 178.8503 78 A 4.0172 7.8998 119.8340 55.2514 18.3468 179.5488 79 Q 3.9305 7.9507 117.8847 59.4990 29.1826 178.4322 80 T 3.9708 8.1531 110.8375 64.7985 68.5029 175.0738 81 C 4.7177 7.9308 116.7743 57.1393 40.3050 174.3699 82 G 3.9337 8.3556 109.0874 46.0081 0.0000 174.8435 83 L 4.2236 7.8717 120.9268 56.3351 41.9878 177.2628 84 V 4.6592 7.2668 109.4099 59.1338 35.9655 175.6126 85 K 4.3039 8.7920 121.8787 55.8667 33.3971 176.5771 86 A 5.1438 8.3929 124.5674 51.3387 18.9500 177.4756 87 D 4.5350 8.8144 121.8468 55.5829 41.6512 177.0630 88 T 4.1235 7.9081 117.3975 64.2036 69.4511 173.7022 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 16 Q 8.34 4.30 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.66 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 17 Y 7.50 4.31 0.00 3.00 2.77 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 0.00 0.00 0.00 0.00 18 N 8.34 4.71 0.00 2.09 1.58 0.00 0.00 6.81 7.68 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 19 W 8.63 4.53 0.00 3.61 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.81 3.51 1.72 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 0.76 0.00 0.00 -0.52 0.00 0.00 21 A 7.91 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.93 4.34 0.00 3.31 3.21 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 23 G 8.76 3.80 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 0.00 0.00 0.00 24 I 8.25 3.70 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.89 0.91 0.00 0.00 25 L 8.34 3.90 0.00 1.83 1.87 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.85 4.01 0.00 2.10 2.13 0.00 0.00 0.00 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 2.37 0.00 27 G 8.36 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 28 G 8.40 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.23 4.11 0.00 1.84 1.72 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.86 3.91 0.00 1.99 1.80 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 31 A 8.70 3.99 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 32 A 8.01 4.17 1.37 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 0.00 0.00 0.00 33 G 7.75 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 0.00 0.00 0.00 34 V 7.67 3.90 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 0.75 0.00 0.00 0.98 0.00 0.00 35 L 7.62 4.55 0.00 1.59 1.55 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.61 4.70 0.00 1.93 1.74 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 2.21 2.24 0.00 37 E 8.66 3.94 0.00 1.93 1.82 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 2.28 2.34 0.00 38 G 8.51 3.80 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 0.00 0.00 0.00 39 Q 7.67 4.45 0.00 2.35 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 40 Y 8.26 4.94 0.00 3.08 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.46 4.27 0.00 2.97 3.29 0.00 0.00 7.27 7.96 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 42 R 8.16 4.34 0.00 2.13 2.18 0.00 2.84 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.66 0.00 43 E 8.27 3.93 0.00 2.29 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 0.00 2.46 2.48 0.00 44 L 7.89 3.91 0.00 1.98 1.86 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.03 4.20 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 46 E 8.91 3.91 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 47 A 8.00 4.02 1.42 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 0.00 0.00 48 I 8.15 3.72 1.86 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 1.45 0.84 0.89 0.00 0.00 49 A 8.03 4.08 1.37 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 0.00 0.00 0.00 50 A 7.93 3.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.57 4.02 0.00 1.96 1.90 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.28 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.61 7.81 52 G 7.58 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 0.00 0.00 0.00 53 E 7.38 4.53 0.00 2.11 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 2.48 2.22 0.00 54 G 7.21 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 9.10 4.15 0.00 2.88 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 56 W 7.93 4.29 0.00 3.52 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.19 3.98 4.28 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 1.27 0.00 0.00 58 T 7.22 3.83 4.14 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 1.22 0.00 0.00 59 Q 7.28 3.97 0.00 0.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 1.61 1.26 0.00 60 F 8.15 4.90 0.00 3.13 2.92 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 61 P 0.00 4.33 0.00 2.21 2.14 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 62 Q 8.37 4.02 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 63 I 7.97 4.20 2.22 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.69 1.06 0.00 0.00 64 G 8.25 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.10 4.33 0.00 2.88 2.94 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 66 W 7.96 4.54 0.00 3.30 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.56 4.01 0.00 2.81 2.98 0.00 0.00 7.24 7.59 0.00 0.00 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 E 8.28 3.98 0.00 2.22 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 2.34 2.51 0.00 69 D 8.68 4.37 0.00 2.97 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 70 Q 8.81 4.06 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.84 2.68 0.00 71 A 8.31 4.13 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.99 4.03 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.10 3.92 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 74 L 8.51 3.88 0.00 1.91 1.68 0.92 1.31 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 75 A 7.94 4.15 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.82 4.27 0.00 2.89 2.74 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 77 R 8.40 3.99 0.00 2.01 2.00 0.00 3.13 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 78 A 7.90 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 7.95 3.93 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 80 T 8.15 3.97 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 81 C 7.93 4.72 0.00 3.22 3.21 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 82 G 8.36 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.87 4.22 0.00 1.73 1.74 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.27 4.66 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.94 0.00 0.00 85 K 8.79 4.30 0.00 0.97 1.56 0.00 1.42 0.00 0.00 1.46 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.13 7.81 86 A 8.39 5.14 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 87 D 8.81 4.53 0.00 2.71 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 88 T 7.91 4.12 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00