NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4360 8.1627 118.3250 55.2998 33.6890 173.2625 2 Q 4.7957 8.2663 120.7207 52.6089 31.1702 172.8144 3 I 4.6150 8.8944 120.4064 58.9161 42.1343 173.5511 4 F 5.3952 8.9120 120.5580 55.6365 42.3274 174.6856 5 V 4.6823 9.3144 123.5463 61.2535 33.7594 174.1844 6 K 5.1289 9.0982 128.8936 54.9179 34.0452 176.5952 7 T 5.1220 8.9087 115.8372 60.7066 70.2580 175.6154 8 L 4.2825 8.6243 121.4537 56.2862 41.9840 177.6929 9 T 4.2953 7.8854 108.3517 61.3018 68.9510 175.2217 10 G 3.8362 8.0029 109.4374 45.8638 0.0000 173.0229 11 K 4.5422 8.2078 121.1849 54.7992 34.2522 175.1984 12 T 5.0415 8.5170 123.5358 62.0512 70.5337 173.5157 13 I 4.4485 9.2057 128.7401 60.0794 39.3653 174.8234 14 T 4.8606 8.5770 123.6260 62.0421 69.9758 173.9878 15 L 4.7789 8.4407 125.7722 52.7258 45.9636 175.2122 16 E 4.6498 8.6423 121.3935 54.9440 31.0901 174.9091 17 V 4.7186 8.6835 120.2504 59.5023 35.9446 174.7528 18 E 4.6878 9.2299 119.6483 54.0711 32.8930 175.8920 19 P 4.3494 0.0000 0.0000 65.6001 31.5290 177.8403 20 S 4.5393 7.8316 109.4593 58.2215 63.8621 174.0685 21 D 4.4210 8.3416 123.5044 54.7376 41.2877 176.3508 22 T 4.7094 8.1725 113.6742 61.1132 71.4751 176.0445 23 I 3.7805 8.2042 122.0187 64.0861 36.9322 178.1756 24 E 3.9038 8.1687 120.4865 59.5625 29.3640 178.4249 25 N 4.2485 7.9261 115.6777 56.7115 38.7157 177.4474 26 V 3.5707 7.8194 119.0978 66.0591 31.4593 178.2480 27 K 4.2465 8.6038 119.4654 58.7997 31.9126 179.2606 28 A 3.9907 8.2713 121.1792 54.8399 18.2189 179.9612 29 K 3.9107 8.1605 117.4039 59.5402 32.0569 179.3727 30 I 3.6604 7.7895 120.1227 64.5949 36.6052 177.9463 31 Q 4.4752 8.1955 121.7000 58.9538 28.5785 178.5057 32 D 4.4059 7.9188 118.4302 56.8088 40.8840 177.9526 33 K 4.2808 7.8786 118.7764 57.4274 32.6501 176.7544 34 E 4.5160 8.2319 115.3336 54.7315 31.4222 176.4406 35 G 3.8175 8.3622 106.7519 46.0626 0.0000 173.4088 36 I 4.1449 7.4463 121.1201 59.0035 37.7690 174.0735 37 P 4.9106 0.0000 0.0000 61.2780 32.1201 175.9890 38 P 4.3153 0.0000 0.0000 65.6795 31.5906 178.6217 39 D 4.4120 8.2222 117.0381 57.5491 40.9601 177.5392 40 Q 4.4268 7.9910 115.0979 56.2628 29.0420 174.9065 41 Q 4.8518 8.2830 119.3569 54.1710 31.0556 174.5917 42 R 4.7100 8.8977 124.0196 54.5972 33.0688 173.7325 43 L 5.2247 8.5226 126.1742 53.1756 44.5402 175.5164 44 I 5.0781 8.8431 123.4090 59.5322 40.9587 174.3012 45 F 5.0177 8.7236 127.6340 56.9176 43.1336 174.2572 46 A 3.4553 8.7592 126.2791 53.1335 16.0094 177.6132 47 G 3.9119 8.3565 104.0119 47.1269 0.0000 174.1926 48 K 4.5786 7.9850 118.4627 53.9629 35.3936 175.5643 49 Q 4.5177 8.6105 122.0337 55.5115 29.1176 176.0245 50 L 3.7212 8.5837 126.0827 54.7792 42.3194 176.8162 51 E 4.5554 9.7083 123.7583 55.0543 31.1873 177.2422 52 D 4.4117 9.0208 123.1553 57.5076 41.1862 179.2175 53 G 3.6458 7.9984 106.5573 47.7220 0.0000 173.9887 54 R 4.2622 7.8452 119.1314 55.6677 31.1232 175.2311 55 T 5.0728 7.8178 108.6998 59.7705 71.2445 175.2537 56 L 4.1764 8.4401 122.6827 58.3331 41.4879 179.9247 57 S 4.0704 8.1360 112.7129 61.6029 62.0690 175.8280 58 D 4.2734 7.8536 120.3980 56.7690 40.4642 177.5392 59 Y 4.7174 7.8129 114.8972 56.4713 38.6213 175.0638 60 N 4.2103 8.2376 116.2626 54.2111 36.9086 174.4195 61 I 3.6769 7.6915 118.0865 60.3100 38.1347 175.4889 62 Q 4.5663 8.6332 122.7648 53.5342 31.9081 174.1917 63 K 4.1251 8.3246 116.9812 58.7238 32.5585 176.9973 64 E 4.2445 9.1285 121.8276 56.1411 28.2038 175.1086 65 S 4.5046 8.2589 116.3716 58.9883 64.2173 173.3069 66 T 5.0940 8.7569 119.9187 62.0714 70.2369 173.8337 67 L 4.8868 9.4601 127.4591 53.8761 44.3426 175.2189 68 H 5.3688 9.0363 119.0003 54.0350 31.7758 173.1875 69 L 4.9715 9.1024 125.7707 53.4250 44.2448 175.1004 70 V 4.4289 9.0419 128.1682 61.4769 32.8765 174.8594 71 L 4.7946 8.5532 128.6175 54.5887 42.4521 176.5251 72 R 4.5538 8.6648 122.9917 54.7214 32.8503 175.0543 73 L 4.3495 7.9524 120.5970 54.6812 44.5558 173.3202 74 R 4.7716 8.6107 124.6582 54.6832 33.4803 176.1258 75 G 3.7369 8.2841 107.0364 46.2912 0.0000 173.1188 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 M 8.16 4.44 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.68 0.00 2 Q 8.27 4.80 0.00 2.10 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.69 0.00 0.00 0.00 0.00 0.00 1.80 2.21 0.00 3 I 8.89 4.62 1.87 0.00 0.00 0.76 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 0.54 0.78 0.00 0.00 4 F 8.91 5.40 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 5 V 9.31 4.68 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 0.99 0.00 0.00 0.93 0.00 0.00 6 K 9.10 5.13 0.00 1.77 1.75 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.40 7.81 7 T 8.91 5.12 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 8 L 8.62 4.28 0.00 1.64 1.75 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.89 4.30 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 10 G 8.00 3.84 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 0.00 0.00 0.00 11 K 8.21 4.54 0.00 1.89 1.68 0.00 1.50 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.46 7.81 12 T 8.52 5.04 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 1.29 0.00 0.00 13 I 9.21 4.45 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.86 0.92 0.00 0.00 14 T 8.58 4.86 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 1.08 0.00 0.00 15 L 8.44 4.78 0.00 1.48 1.46 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.64 4.65 0.00 1.86 1.79 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 2.14 2.32 0.00 17 V 8.68 4.72 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 0.69 0.00 0.00 0.85 0.00 0.00 18 E 9.23 4.69 0.00 1.79 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.38 0.00 19 P 0.00 4.35 0.00 2.15 2.11 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 20 S 7.83 4.54 0.00 3.96 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 21 D 8.34 4.42 0.00 2.75 2.62 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 22 T 8.17 4.71 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 23 I 8.20 3.78 2.06 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 1.78 1.06 0.92 0.00 0.00 24 E 8.17 3.90 0.00 2.22 1.97 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 2.32 2.38 0.00 25 N 7.93 4.25 0.00 3.01 2.86 0.00 0.00 6.74 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 26 V 7.82 3.57 2.18 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 1.00 0.00 0.00 0.97 0.00 0.00 27 K 8.60 4.25 0.00 1.97 1.84 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.42 7.81 28 A 8.27 3.99 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 29 K 8.16 3.91 0.00 1.97 1.85 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.67 7.81 30 I 7.79 3.66 2.16 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 1.40 0.88 0.91 0.00 0.00 31 Q 8.20 4.48 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 32 D 7.92 4.41 0.00 2.87 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 33 K 7.88 4.28 0.00 1.75 1.89 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.47 7.81 34 E 8.23 4.52 0.00 1.93 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 2.23 2.37 0.00 35 G 8.36 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 0.00 0.00 0.00 36 I 7.45 4.14 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.03 0.91 0.00 0.00 37 P 0.00 4.91 0.00 2.18 1.97 0.00 3.98 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 38 P 0.00 4.32 0.00 2.18 2.09 0.00 3.62 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 39 D 8.22 4.41 0.00 2.66 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.99 4.43 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.29 0.00 41 Q 8.28 4.85 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 42 R 8.90 4.71 0.00 1.85 1.89 0.00 3.06 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 43 L 8.52 5.22 0.00 1.59 1.51 0.90 0.73 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 44 I 8.84 5.08 1.93 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 1.11 0.84 0.91 0.00 0.00 45 F 8.72 5.02 0.00 2.98 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 46 A 8.76 3.46 0.90 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 0.00 0.00 0.00 47 G 8.36 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 48 K 7.99 4.58 0.00 1.74 1.72 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.61 7.81 49 Q 8.61 4.52 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 50 L 8.58 3.72 0.00 1.38 1.35 0.76 0.01 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 51 E 9.71 4.56 0.00 2.01 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 0.00 2.34 2.40 0.00 52 D 9.02 4.41 0.00 2.72 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 53 G 8.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.85 4.26 0.00 1.92 1.83 0.00 3.07 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 55 T 7.82 5.07 4.40 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 1.25 0.00 0.00 56 L 8.44 4.18 0.00 1.88 1.72 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.14 4.07 0.00 4.04 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 58 D 7.85 4.27 0.00 2.52 2.27 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 59 Y 7.81 4.72 0.00 2.98 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.24 4.21 0.00 2.99 2.98 0.00 0.00 6.89 7.95 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 61 I 7.69 3.68 1.77 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.16 0.59 0.00 0.00 62 Q 8.63 4.57 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 63 K 8.32 4.13 0.00 1.85 1.85 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.49 7.81 64 E 9.13 4.24 0.00 2.20 2.42 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 2.26 2.46 0.00 65 S 8.26 4.50 0.00 3.74 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.76 5.09 4.32 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 1.21 0.00 0.00 67 L 9.46 4.89 0.00 1.61 1.58 0.77 0.58 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 68 H 9.04 5.37 0.00 3.14 3.20 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.10 4.97 0.00 1.71 1.55 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.04 4.43 2.09 0.00 0.00 0.00 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 0.94 0.00 0.00 71 L 8.55 4.79 0.00 1.58 1.59 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.66 4.55 0.00 1.67 1.82 0.00 3.17 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 73 L 7.95 4.35 0.00 1.52 1.50 0.92 0.94 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 74 R 8.61 4.77 0.00 1.80 1.79 0.00 3.28 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 75 G 8.28 3.74 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 0.00 0.00 0.00