NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3777 8.3049 120.3473 55.4695 32.8918 174.3169 2 V 4.3623 8.1871 118.4646 57.5484 35.2317 171.1025 3 E 4.7412 8.1952 118.1864 54.7111 33.1532 175.3987 4 N 4.7091 8.3517 117.4332 51.0299 38.6694 172.3319 5 P 4.3696 0.0000 0.0000 65.2542 31.4153 176.2486 6 M 4.7450 7.4208 113.0173 53.0330 34.1346 175.4851 7 V 3.8118 8.1748 120.2881 62.3580 30.2502 175.3549 8 I 4.1456 7.7117 119.1909 59.0734 39.2419 175.9492 9 N 4.4990 8.3854 120.7764 52.7407 37.9801 174.5048 10 N 4.5391 8.1899 123.3895 51.2971 40.4065 175.7145 11 W 4.4195 8.0700 118.7599 59.0259 29.3367 176.6024 12 H 4.0707 8.5106 116.1626 56.2484 28.7692 174.0839 13 D 4.8685 8.4425 114.9279 52.6819 45.5239 174.8791 14 K 4.6375 8.4640 123.6911 54.7018 35.3404 174.6995 15 L 4.8807 8.2295 124.3329 53.9770 43.6743 175.4185 16 T 4.4591 8.0438 109.0182 59.7557 70.3857 174.4333 17 E 4.0323 8.5479 124.2769 56.6056 29.4665 176.6974 18 T 3.9396 8.1558 122.3145 66.0160 68.9432 174.9745 19 D 4.6629 7.5066 118.2339 54.0317 42.5490 175.0567 20 V 3.9012 7.9124 118.3356 62.2175 32.0566 175.1575 21 Q 4.5097 8.6031 126.2372 55.1780 30.6625 174.5574 22 I 4.8242 8.0336 121.9546 59.3285 40.5390 175.2102 23 D 4.7709 8.4114 124.6424 52.3568 40.6263 176.8750 24 F 4.0309 9.0495 121.7729 61.4892 39.1456 175.6364 25 Y 3.9893 8.5627 116.2135 58.5092 38.0799 175.3997 26 G 3.7637 7.9343 107.4261 46.2527 0.0000 174.1318 27 D 4.1745 9.0254 119.5240 53.6854 40.0070 176.7499 28 E 4.7762 8.3563 111.8501 55.8020 33.0428 174.9036 29 V 4.0504 8.4975 127.3467 61.3620 31.9439 175.1628 30 T 4.4236 7.9526 118.0262 59.3629 70.3475 173.9654 31 P 4.4748 0.0000 0.0000 64.5979 31.2889 176.9654 32 V 4.4004 7.1666 118.6820 62.5239 31.7951 174.2719 33 D 4.9147 7.9114 116.1398 51.7996 44.1598 174.2326 34 D 5.0070 8.6169 125.6089 53.7768 42.4032 175.0419 35 Y 5.3296 8.3560 120.2095 55.6351 42.0298 174.2106 36 V 4.2379 9.0628 118.7869 61.1739 35.2603 173.9902 37 I 4.6639 8.2963 128.3001 60.2791 38.2830 175.6671 38 D 4.6029 9.1781 129.1292 53.1294 39.7807 175.5381 39 G 4.2382 8.8956 114.6477 44.1833 0.0000 172.2679 40 G 4.6302 7.2502 116.4986 45.9356 0.0000 172.7318 41 E 4.4001 7.4337 120.7934 55.2206 31.0679 174.3738 42 I 4.7230 8.6418 125.9787 60.3108 39.1279 174.8318 43 I 4.9248 8.7226 127.1783 59.0400 41.0373 174.7751 44 L 4.4681 8.6756 128.9379 55.0606 42.6389 177.7558 45 R 3.9878 8.7497 125.0775 59.4307 30.0501 178.4319 46 E 4.0987 8.3056 118.4404 58.8040 30.2835 177.3384 47 N 4.4368 7.8627 113.8937 53.5918 38.9626 176.6971 48 L 4.0639 7.6757 123.2257 58.0994 42.3176 178.1167 49 E 3.9435 8.2662 118.7943 59.4068 29.6054 178.6758 50 R 3.9034 7.9433 117.9458 59.7813 30.2309 177.7510 51 Y 4.1336 8.1554 119.0851 60.6255 38.4751 177.8041 52 L 4.0219 8.7358 120.4737 57.8613 41.5433 179.6195 53 R 3.8816 7.8183 116.5094 58.5563 29.9839 178.6178 54 E 4.0559 7.6473 117.8257 59.0396 29.7966 177.2711 55 Q 4.0052 8.2257 117.5836 55.2113 30.5110 176.1124 56 L 3.6122 7.3492 121.2313 56.4107 41.3051 175.1720 57 G 3.5785 7.6031 101.6133 43.6431 0.0000 175.0252 58 F 3.6348 7.9954 118.0873 57.9504 38.0402 174.9808 59 E 4.3168 8.6125 125.1673 55.5330 29.6562 176.2172 60 F 4.8453 8.5251 125.8113 56.1207 39.3077 175.8940 61 K 4.7147 8.5480 124.5780 54.8425 34.6417 174.8359 62 N 5.0071 8.1601 116.1422 51.8392 42.6720 174.5060 63 A 4.0019 8.5283 121.0742 53.8332 18.6349 178.4398 64 Q 4.1069 8.3679 120.1907 56.9392 29.0280 174.1196 65 L 3.9428 7.9859 117.5220 57.1187 42.3759 175.8738 66 E 3.5654 8.0641 117.8330 56.5999 26.9907 171.9120 67 H 4.2426 7.7359 114.9874 55.3828 29.6613 177.5819 68 H 4.7368 8.4674 122.4020 56.5369 27.8087 177.2751 69 H 3.7915 8.6482 120.1796 57.6586 29.0691 174.6801 70 H 4.8695 9.1410 122.2089 56.2786 35.8807 172.3794 71 H 4.6026 8.9513 122.1787 56.1141 29.2046 173.6778 72 H 4.4833 7.7654 120.8017 56.2855 30.0554 172.4448 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 8.30 4.38 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 V 8.19 4.36 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 0.84 0.00 0.00 0.90 0.00 0.00 3 E 8.20 4.74 0.00 2.00 1.86 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 2.13 2.18 0.00 4 N 8.35 4.71 0.00 2.97 2.78 0.00 0.00 6.04 7.73 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 5 P 0.00 4.37 0.00 2.18 2.22 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 6 M 7.42 4.74 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 7 V 8.17 3.81 2.07 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 0.82 0.00 0.00 0.92 0.00 0.00 8 I 7.71 4.15 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.87 0.92 0.00 0.00 9 N 8.39 4.50 0.00 2.69 2.79 0.00 0.00 7.02 7.81 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 10 N 8.19 4.54 0.00 2.64 2.49 0.00 0.00 6.75 7.46 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 11 W 8.07 4.42 0.00 3.47 3.10 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 0.00 0.00 0.00 0.00 12 H 8.51 4.07 0.00 3.34 3.25 0.00 5.69 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 13 D 8.44 4.87 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.46 4.64 0.00 1.68 1.57 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.67 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.41 7.81 15 L 8.23 4.88 0.00 1.72 1.57 0.91 0.62 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 16 T 8.04 4.46 4.21 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 1.17 0.00 0.00 17 E 8.55 4.03 0.00 1.93 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 2.29 2.37 0.00 18 T 8.16 3.94 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 1.20 0.00 0.00 19 D 7.51 4.66 0.00 2.54 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 3.90 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 0.76 0.00 0.00 0.91 0.00 0.00 21 Q 8.60 4.51 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.47 0.00 0.00 0.00 0.00 0.00 2.26 2.03 0.00 22 I 8.03 4.82 1.82 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 1.36 0.62 0.91 0.00 0.00 23 D 8.41 4.77 0.00 3.06 2.84 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 24 F 9.05 4.03 0.00 2.73 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.56 3.99 0.00 3.20 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 26 G 7.93 3.76 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 0.00 0.00 0.00 27 D 9.03 4.17 0.00 2.60 2.52 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 0.00 0.00 0.00 28 E 8.36 4.78 0.00 1.92 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 0.00 2.00 2.06 0.00 29 V 8.50 4.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.79 0.00 0.00 30 T 7.95 4.42 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 31 P 0.00 4.47 0.00 2.21 2.23 0.00 3.71 0.00 0.00 3.57 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 32 V 7.17 4.40 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 0.74 0.00 0.00 0.94 0.00 0.00 33 D 7.91 4.91 0.00 2.67 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 34 D 8.62 5.01 0.00 2.68 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 35 Y 8.36 5.33 0.00 3.07 2.84 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 36 V 9.06 4.24 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 0.95 0.00 0.00 0.90 0.00 0.00 37 I 8.30 4.66 1.87 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.83 0.99 0.00 0.00 38 D 9.18 4.60 0.00 2.92 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 39 G 8.90 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 0.00 0.00 0.00 0.00 40 G 7.25 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.43 4.40 0.00 2.08 1.75 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 2.26 2.29 0.00 42 I 8.64 4.72 2.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.46 0.81 0.00 0.00 43 I 8.72 4.92 1.89 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.17 1.05 0.00 0.00 44 L 8.68 4.47 0.00 1.77 1.56 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.75 3.99 0.00 1.98 2.03 0.00 3.40 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 46 E 8.31 4.10 0.00 1.95 1.94 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 2.24 2.37 0.00 47 N 7.86 4.44 0.00 2.59 1.86 0.00 0.00 6.97 6.65 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 48 L 7.68 4.06 0.00 2.02 1.85 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.27 3.94 0.00 2.13 1.96 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 2.39 2.46 0.00 50 R 7.94 3.90 0.00 1.97 2.14 0.00 3.32 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 51 Y 8.16 4.13 0.00 3.46 3.18 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 0.00 0.00 0.00 0.00 52 L 8.74 4.02 0.00 1.73 1.74 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.82 3.88 0.00 1.97 1.99 0.00 3.17 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 54 E 7.65 4.06 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 2.57 2.46 0.00 55 Q 8.23 4.01 0.00 1.43 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.13 0.00 56 L 7.35 3.61 0.00 1.82 1.54 0.98 1.14 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 G 7.60 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.00 3.63 0.00 2.64 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 59 E 8.61 4.32 0.00 1.87 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 2.20 2.37 0.00 60 F 8.53 4.85 0.00 3.10 2.90 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 61 K 8.55 4.71 0.00 1.78 1.75 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.26 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.40 7.81 62 N 8.16 5.01 0.00 2.66 2.70 0.00 0.00 6.91 7.34 0.00 0.00 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 8.53 4.00 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 64 Q 8.37 4.11 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 65 L 7.99 3.94 0.00 1.65 1.70 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.06 3.57 0.00 2.09 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 2.15 2.21 0.00 67 H 7.74 4.24 0.00 3.24 3.28 0.00 5.58 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.47 4.74 0.00 3.31 3.45 0.00 5.87 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.65 3.79 0.00 3.28 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 9.14 4.87 0.00 3.08 3.30 0.00 5.81 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 71 H 8.95 4.60 0.00 3.33 3.46 0.00 5.92 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 7.77 4.48 0.00 3.08 3.10 0.00 6.01 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00