NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 K 4.2269 8.3149 119.9955 56.1380 34.3177 175.1232 26 P 4.4294 0.0000 0.0000 60.9543 32.7245 176.2678 27 S 4.1377 8.8586 114.8216 61.3775 63.9065 175.2584 28 A 3.9982 7.8521 122.8971 54.4610 18.3502 177.0375 29 C 4.3939 7.5330 115.6549 59.0818 30.0349 172.4989 30 R 4.6358 7.8254 123.1430 54.3640 33.9605 174.4239 31 N 4.7774 8.4555 119.2231 52.6042 40.4850 174.2142 32 L 4.1808 8.3756 122.7368 55.8209 43.4185 178.3881 33 F 4.8329 7.7414 115.2786 56.8383 39.6584 175.9700 34 G 3.9971 8.6423 107.0233 44.0646 0.0000 171.9669 35 P 4.4619 0.0000 0.0000 62.3962 31.9020 176.0573 36 V 4.3724 7.7919 118.4864 59.6768 33.9827 176.3200 37 D 4.5311 8.2734 121.2590 53.5353 40.1424 176.1996 38 H 4.2745 8.4819 123.5801 58.6476 29.0262 176.8986 39 E 3.9673 8.1007 119.5838 59.6922 29.3867 179.2063 40 E 4.0371 8.1127 118.0651 58.9048 29.4783 179.1672 41 L 3.9261 8.3707 121.0162 58.5854 42.1605 179.1758 42 T 3.8956 8.0318 115.6216 66.7857 68.4856 176.9110 43 R 3.9050 7.9168 119.5363 59.1419 30.0561 178.6376 44 D 4.2354 8.3872 118.2392 57.2118 41.1317 178.3439 45 L 3.9559 7.9328 119.5354 57.6486 41.3966 179.0775 46 E 3.9368 8.0771 117.6507 59.4548 29.6768 178.9836 47 K 4.0008 7.8345 118.8785 60.1273 32.0489 178.1689 48 H 4.1988 7.9815 115.2589 59.4592 28.7957 177.3245 49 C 4.3488 8.2967 117.0813 61.5954 29.2324 175.2538 50 R 4.4688 7.8897 122.1828 55.5716 26.2638 174.7971 51 D 4.6810 7.4902 120.0617 55.9774 43.9427 175.2720 52 M 4.6053 7.7994 119.4295 55.5604 29.8314 173.8409 53 E 5.0007 8.4780 121.8055 57.3210 37.4300 178.7159 54 E 3.1625 8.5199 109.9352 55.0242 31.8533 179.3790 55 A 4.1968 9.3520 123.5295 54.8773 18.9598 180.0628 56 S 4.2570 8.1295 113.7997 61.9358 62.5713 176.3095 57 Q 4.9970 8.3935 123.6531 58.6616 28.4971 178.4668 58 R 3.9566 7.5282 117.8945 59.3282 30.3291 177.5089 59 K 3.9219 8.2723 118.8138 59.0334 32.1441 177.4667 60 W 4.5194 8.2823 115.3718 55.7122 29.7281 175.7190 61 N 4.4280 8.1025 115.7751 53.8021 36.6243 173.7411 62 F 4.4821 7.7849 117.8842 57.2880 42.8042 172.8083 63 D 4.4295 7.5557 128.0672 52.4218 39.6284 176.6062 64 F 4.3939 8.4236 124.3971 60.1617 39.4346 177.2940 65 Q 4.1519 8.3536 118.8656 59.0842 28.5605 177.0490 66 N 4.4999 8.6869 112.4811 52.8248 39.3432 174.5169 67 H 4.0293 8.1750 117.7510 57.2221 28.7998 175.0718 68 K 4.1564 6.4377 117.4235 53.4475 35.8292 176.0684 69 P 3.9622 0.0000 0.0000 63.2129 32.1893 175.5869 70 L 4.0891 8.8871 118.4609 58.6561 43.8764 176.0541 71 E 3.4128 9.5486 121.3844 56.6702 30.6226 178.5415 72 G 4.4939 9.6674 104.9798 45.2195 0.0000 170.8201 73 K 3.8340 7.8487 124.1856 56.1415 29.1556 174.8207 74 Y 4.2712 7.9088 118.3850 55.9882 38.8935 176.1771 75 E 4.3562 8.3354 126.5584 54.5197 27.9642 175.5408 76 W 4.3186 8.2036 121.0154 56.6508 30.0380 175.9590 77 Q 4.5573 8.5928 120.3070 54.4890 30.8968 174.1133 78 E 4.3452 8.9486 122.0878 55.7148 29.8716 176.2306 79 V 4.4410 8.0697 117.5454 58.9955 34.1019 175.7408 80 E 4.1054 8.4278 120.8820 55.8685 29.9509 178.0276 81 K 3.5937 8.7236 121.6665 59.3825 32.1264 178.9422 82 G 3.7842 7.8969 106.2108 47.4311 0.0000 174.7838 83 S 4.3381 8.3937 114.7342 59.5414 63.4887 173.7147 84 L 4.9663 7.1761 120.1445 52.4207 43.4970 174.2494 85 P 4.4292 0.0000 0.0000 62.6925 31.8825 177.7438 86 E 2.6968 8.7920 119.4918 58.0527 29.9762 178.7174 87 F 3.8580 8.2257 121.6805 61.4103 39.1880 176.5553 88 Y 4.0357 7.3125 116.1761 60.0988 37.6748 176.3703 89 Y 4.7022 7.3065 115.9009 55.9242 39.0476 175.0342 90 R 3.9317 7.3026 122.5219 55.6656 30.4118 174.5324 91 P 4.5295 0.0000 0.0000 61.1699 32.4451 174.1080 92 P 4.4338 0.0000 0.0000 62.7682 31.9556 176.6341 93 R 4.1298 8.3317 116.8796 56.6126 30.1152 176.7186 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 25 K 8.31 4.23 0.00 1.87 1.96 0.00 1.55 0.00 0.00 1.69 0.00 0.00 3.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.41 7.81 26 P 0.00 4.43 0.00 2.27 2.04 0.00 3.59 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 2.12 0.00 27 S 8.86 4.14 0.00 3.96 3.99 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 28 A 7.85 4.00 1.29 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 0.00 0.00 29 C 7.53 4.39 0.00 2.98 3.04 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 30 R 7.83 4.64 0.00 1.73 1.69 0.00 3.28 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 31 N 8.46 4.78 0.00 2.65 2.65 0.00 0.00 6.91 7.78 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 32 L 8.38 4.18 0.00 1.15 0.58 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.74 4.83 0.00 3.04 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 34 G 8.64 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 0.00 0.00 0.00 35 P 0.00 4.46 0.00 2.17 2.06 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 36 V 7.79 4.37 2.06 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 0.62 0.00 0.00 0.93 0.00 0.00 37 D 8.27 4.53 0.00 2.72 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 38 H 8.48 4.27 0.00 3.21 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.10 3.97 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 40 E 8.11 4.04 0.00 2.02 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 2.31 0.00 41 L 8.37 3.93 0.00 1.81 1.90 0.93 0.78 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 42 T 8.03 3.90 4.38 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 1.24 0.00 0.00 43 R 7.92 3.90 0.00 2.16 1.96 0.00 3.17 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 44 D 8.39 4.24 0.00 2.72 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 45 L 7.93 3.96 0.00 1.88 1.70 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.08 3.94 0.00 2.09 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 2.35 2.57 0.00 47 K 7.83 4.00 0.00 1.90 2.02 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.62 7.81 48 H 7.98 4.20 0.00 3.29 3.35 0.00 5.73 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 C 8.30 4.35 0.00 3.12 3.01 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 50 R 7.89 4.47 0.00 1.95 1.92 0.00 3.11 0.00 0.00 3.16 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 51 D 7.49 4.68 0.00 2.64 2.59 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 0.00 0.00 0.00 0.00 52 M 7.80 4.61 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 53 E 8.48 5.00 0.00 2.12 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 2.36 2.41 0.00 54 E 8.52 3.16 0.00 2.17 1.52 0.00 0.00 0.00 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 2.34 0.00 55 A 9.35 4.20 1.35 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 0.00 0.00 56 S 8.13 4.26 0.00 3.92 4.02 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 57 Q 8.39 5.00 0.00 2.49 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 58 R 7.53 3.96 0.00 1.95 2.16 0.00 3.35 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 59 K 8.27 3.92 0.00 1.48 1.28 0.00 1.41 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.53 1.03 7.81 60 W 8.28 4.52 0.00 3.71 3.49 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 61 N 8.10 4.43 0.00 3.28 3.24 0.00 0.00 6.32 8.00 0.00 0.00 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 7.78 4.48 0.00 2.54 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 0.00 0.00 0.00 63 D 7.56 4.43 0.00 2.44 2.30 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 64 F 8.42 4.39 0.00 3.18 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 65 Q 8.35 4.15 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 66 N 8.69 4.50 0.00 2.54 2.77 0.00 0.00 7.17 8.30 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 67 H 8.18 4.03 0.00 3.18 3.29 0.00 5.89 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 6.44 4.16 0.00 1.36 1.34 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.21 1.38 7.81 69 P 0.00 3.96 0.00 2.14 1.97 0.00 3.44 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.94 0.00 70 L 8.89 4.09 0.00 1.56 1.58 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 71 E 9.55 3.41 0.00 2.06 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 0.00 2.30 2.43 0.00 72 G 9.67 4.49 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 0.00 73 K 7.85 3.83 0.00 1.84 2.17 0.00 1.54 0.00 0.00 2.01 0.00 0.00 2.91 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.50 1.25 7.81 74 Y 7.91 4.27 0.00 3.35 2.44 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 0.00 75 E 8.34 4.36 0.00 1.91 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 2.31 2.29 0.00 76 W 8.20 4.32 0.00 3.43 3.31 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 0.00 77 Q 8.59 4.56 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 78 E 8.95 4.35 0.00 2.02 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 2.36 2.39 0.00 79 V 8.07 4.44 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 0.77 0.00 0.00 0.95 0.00 0.00 80 E 8.43 4.11 0.00 2.11 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 0.00 2.35 2.33 0.00 81 K 8.72 3.59 0.00 1.33 0.74 0.00 1.28 0.00 0.00 0.82 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.92 1.14 7.81 82 G 7.90 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 83 S 8.39 4.34 0.00 3.99 4.03 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 84 L 7.18 4.97 0.00 2.01 1.71 1.27 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.43 0.00 2.40 2.10 0.00 4.05 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.23 0.00 86 E 8.79 2.70 0.00 1.77 2.16 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 2.32 2.22 0.00 87 F 8.23 3.86 0.00 2.87 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 88 Y 7.31 4.04 0.00 3.24 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 89 Y 7.31 4.70 0.00 3.12 3.12 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 0.00 0.00 0.00 0.00 90 R 7.30 3.93 0.00 1.72 1.73 0.00 3.25 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 91 P 0.00 4.53 0.00 2.21 2.03 0.00 3.81 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 92 P 0.00 4.43 0.00 2.19 2.08 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 93 R 8.33 4.13 0.00 1.82 1.87 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00