NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.1495 8.1744 117.3851 64.5762 69.8243 169.0271 2 F 3.7947 8.9508 130.6476 57.2276 39.4462 174.1867 3 N 4.9310 8.5700 127.1081 50.3109 37.7768 170.6488 4 P 4.7750 0.0000 0.0000 60.8865 30.3368 177.0792 5 S 5.4647 7.7511 132.1000 60.1253 63.8449 179.9224 6 S 4.1916 7.3932 114.0129 61.0007 62.1761 174.9423 7 D 4.5291 7.8524 118.7389 56.0158 41.1048 177.9901 8 V 3.9969 7.7599 118.3737 65.6137 31.6931 177.1524 9 A 4.3425 8.0656 118.9289 53.5440 18.8403 178.6215 10 A 4.2306 7.8428 119.0749 54.2519 19.3006 179.4887 11 L 4.0158 7.9715 117.6279 57.6787 41.7377 179.0629 12 H 4.7136 8.4307 119.5744 58.7542 29.7710 177.3029 13 K 4.0933 7.9269 119.4719 58.8845 32.0836 178.3436 14 A 4.1769 7.9687 121.5935 55.1207 18.1628 179.3866 15 I 3.9342 7.7119 116.5263 63.5247 37.2482 177.1797 16 M 4.5676 7.5655 118.8931 55.2143 32.2428 176.5366 17 V 3.9811 7.5884 116.9821 62.2982 31.9318 175.5289 18 K 3.8315 8.1494 115.7005 56.6232 28.6803 174.4044 19 G 3.2290 9.5763 107.7124 44.9358 0.0000 169.9089 20 V 3.4054 7.8985 128.3241 61.6682 33.0136 172.7930 21 D 4.4114 8.4075 125.8316 55.4371 41.3036 176.7747 22 E 3.8068 7.5912 115.6756 56.7771 27.5559 174.8739 23 A 4.5472 7.4121 116.5390 52.1611 20.9314 178.1974 24 T 4.6055 7.8976 115.2033 66.9800 73.4904 176.7946 25 I 3.7380 7.7870 121.5195 64.1960 36.7872 177.9579 26 I 4.0006 7.6269 119.6765 62.8500 37.8406 177.0276 27 D 4.6075 7.8742 119.2558 56.1281 41.1867 177.4963 28 I 4.1227 7.6065 119.6749 63.1125 37.6375 177.9578 29 L 4.0097 7.7343 118.8325 57.3741 41.4196 178.5918 30 T 4.2084 7.1207 112.3767 63.8887 67.7654 176.5016 31 K 4.1251 7.5302 118.3675 57.3535 32.3466 177.1227 32 R 4.5715 6.8887 117.4639 53.8601 32.4430 177.1185 33 N 4.5470 8.1064 117.9734 53.7980 40.1782 173.3663 34 N 4.5528 8.5309 111.6959 54.9335 40.3010 176.9386 35 A 4.1116 7.7452 119.9435 54.0796 18.9411 178.5460 36 Q 3.7143 7.3846 113.1974 56.1610 29.3695 178.3551 37 R 3.7762 7.5698 117.4435 59.4670 29.9189 178.9956 38 Q 4.0590 7.9249 115.4837 58.7473 28.7659 178.2898 39 Q 4.2881 7.5087 118.2012 58.5134 28.8885 178.1020 40 I 4.0625 7.8673 120.5142 63.5588 37.2585 178.2831 41 K 4.1989 7.8365 119.1880 58.8919 31.8914 179.0682 42 A 3.9857 7.9110 121.5073 55.2100 18.2456 179.5701 43 A 4.0201 7.9819 117.6081 55.2607 18.6620 178.7342 44 Y 4.2338 8.1499 118.4280 60.7792 38.8713 177.8693 45 L 4.4406 7.8833 122.5466 57.6270 41.9321 178.5715 46 Q 3.9660 7.7040 118.5701 59.4696 28.7698 176.8406 47 E 4.1462 7.9940 118.8962 58.2166 29.3613 177.8690 48 T 3.8703 7.2084 119.6951 63.3591 67.9597 174.7381 49 G 4.2891 7.5370 108.3751 45.8205 0.0000 173.0651 50 K 4.7012 7.3566 116.7809 53.5458 35.8268 175.2885 51 P 4.5232 0.0000 0.0000 62.9301 31.5485 177.5031 52 L 3.8064 8.2462 119.3347 56.1152 41.3500 174.1305 53 D 4.6881 7.7220 114.8603 57.0313 42.0207 177.9673 54 E 4.0090 7.9920 118.5125 59.6077 29.5947 179.3100 55 T 3.9183 7.8531 115.3145 66.7371 68.4670 176.6922 56 L 4.1056 7.8191 118.7861 57.3022 41.7496 179.1531 57 K 4.3814 7.6973 119.3458 57.9139 32.1068 178.4466 58 K 4.3733 7.5882 116.1035 56.4394 32.6975 178.2026 59 A 4.1678 7.6776 121.5005 54.0512 18.6605 177.1610 60 L 4.7214 7.4313 113.6927 53.3184 45.0989 174.8620 61 T 4.6304 7.8251 108.3938 61.4616 73.0369 176.9707 62 G 3.9388 8.6314 114.5531 47.4458 0.0000 174.2300 63 H 4.7701 9.2572 118.0423 55.2665 30.0549 175.0776 64 L 4.2254 7.9682 121.7418 57.6723 41.1966 178.8229 65 E 4.0009 8.0668 118.5648 59.0785 28.9928 178.3943 66 E 4.0993 8.2248 118.1941 58.2810 29.2298 177.6879 67 V 4.2614 7.2689 117.1153 62.6593 33.0004 176.3513 68 V 4.2224 7.6711 115.7257 63.8919 34.3443 177.2905 69 L 3.9378 7.9530 120.7144 57.7640 42.1865 178.4671 70 A 4.0734 7.3151 117.6701 54.5505 18.3607 177.4238 71 L 4.7070 7.3555 115.1109 54.5935 42.1121 176.8500 72 L 4.6186 7.6073 117.9420 54.3799 42.7896 175.4329 73 K 4.1152 8.2156 123.4394 56.1701 32.1671 176.0193 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 T 8.17 4.15 4.30 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 1.23 0.00 0.00 2 F 8.95 3.79 0.00 3.34 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 3 N 8.57 4.93 0.00 2.90 2.96 0.00 0.00 6.07 7.83 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 4 P 0.00 4.78 0.00 1.95 1.49 0.00 3.68 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.13 0.00 5 S 7.75 5.46 0.00 3.93 3.94 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 6 S 7.39 4.19 0.00 3.90 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 7 D 7.85 4.53 0.00 2.97 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 8 V 7.76 4.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.08 0.00 0.00 9 A 8.07 4.34 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 10 A 7.84 4.23 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 11 L 7.97 4.02 0.00 1.76 1.22 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.43 4.71 0.00 3.64 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.93 4.09 0.00 1.94 1.86 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.46 7.81 14 A 7.97 4.18 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 15 I 7.71 3.93 2.19 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 1.55 0.77 0.98 0.00 0.00 16 M 7.57 4.57 0.00 2.02 2.33 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 17 V 7.59 3.98 2.15 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 0.77 0.00 0.00 1.02 0.00 0.00 18 K 8.15 3.83 0.00 1.94 1.92 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.49 7.81 19 G 9.58 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 0.00 0.00 0.00 20 V 7.90 3.41 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 0.89 0.00 0.00 0.98 0.00 0.00 21 D 8.41 4.41 0.00 2.70 2.65 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 22 E 7.59 3.81 0.00 2.25 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 2.25 2.31 0.00 23 A 7.41 4.55 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 24 T 7.90 4.61 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 1.22 0.00 0.00 25 I 7.79 3.74 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.01 0.84 0.00 0.00 26 I 7.63 4.00 1.86 0.00 0.00 0.85 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 0.84 0.90 0.00 0.00 27 D 7.87 4.61 0.00 2.78 2.78 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 28 I 7.61 4.12 1.90 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 1.53 0.89 0.99 0.00 0.00 29 L 7.73 4.01 0.00 1.74 1.83 0.94 0.85 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 30 T 7.12 4.21 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 1.26 0.00 0.00 31 K 7.53 4.13 0.00 2.00 1.86 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.75 7.81 32 R 6.89 4.57 0.00 1.87 1.62 0.00 3.35 0.00 0.00 3.42 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 33 N 8.11 4.55 0.00 2.54 2.62 0.00 0.00 6.90 7.75 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 34 N 8.53 4.55 0.00 2.73 2.94 0.00 0.00 6.72 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 35 A 7.75 4.11 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.38 3.71 0.00 1.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.94 0.00 0.00 0.00 0.00 0.00 1.98 1.73 0.00 37 R 7.57 3.78 0.00 1.99 1.91 0.00 3.32 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 38 Q 7.92 4.06 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.20 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 39 Q 7.51 4.29 0.00 2.52 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 40 I 7.87 4.06 2.18 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.08 0.99 0.00 0.00 41 K 7.84 4.20 0.00 1.99 2.10 0.00 1.88 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.68 7.81 42 A 7.91 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 43 A 7.98 4.02 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 44 Y 8.15 4.23 0.00 3.26 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 45 L 7.88 4.44 0.00 2.03 1.90 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 7.70 3.97 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 47 E 7.99 4.15 0.00 1.94 1.80 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 2.26 2.30 0.00 48 T 7.21 3.87 3.13 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 -0.24 0.00 0.00 49 G 7.54 4.29 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 0.00 50 K 7.36 4.70 0.00 1.72 1.76 0.00 1.61 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.38 7.81 51 P 0.00 4.52 0.00 2.26 2.32 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.97 0.00 52 L 8.25 3.81 0.00 1.76 1.81 -0.46 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.72 4.69 0.00 2.86 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 54 E 7.99 4.01 0.00 2.08 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 2.41 2.41 0.00 55 T 7.85 3.92 4.35 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 1.29 0.00 0.00 56 L 7.82 4.11 0.00 1.77 1.70 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.70 4.38 0.00 2.00 1.87 0.00 1.64 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.45 7.81 58 K 7.59 4.37 0.00 1.67 1.85 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.68 7.81 59 A 7.68 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 60 L 7.43 4.72 0.00 1.61 1.65 0.94 0.77 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 61 T 7.83 4.63 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 62 G 8.63 3.94 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 0.00 0.00 0.00 63 H 9.26 4.77 0.00 3.14 3.29 0.00 5.70 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.97 4.23 0.00 1.86 1.70 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.07 4.00 0.00 2.02 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 2.41 2.54 0.00 66 E 8.22 4.10 0.00 1.99 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 2.34 2.20 0.00 67 V 7.27 4.26 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 0.76 0.00 0.00 1.02 0.00 0.00 68 V 7.67 4.22 2.17 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 0.83 0.00 0.00 0.98 0.00 0.00 69 L 7.95 3.94 0.00 1.97 1.63 1.01 1.24 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 70 A 7.32 4.07 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 71 L 7.36 4.71 0.00 1.76 1.65 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.61 4.62 0.00 1.53 1.53 0.86 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.22 4.12 0.00 1.71 1.64 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.47 7.81