NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3965 8.3049 120.3265 55.2004 32.4153 174.6531 2 L 4.3192 8.4136 124.4710 51.9376 43.4666 174.8933 3 I 4.2455 9.1264 126.4838 59.1911 39.1584 174.1808 4 L 4.7700 8.1311 127.6052 52.6662 44.3027 177.0808 5 T 4.0276 8.4015 120.3042 64.0969 69.0725 173.5079 6 R 4.5996 7.4334 122.8053 55.2668 33.1739 174.7047 7 R 5.0627 7.6903 123.3894 54.7926 31.1599 172.7596 8 V 4.2740 8.2811 124.2854 59.7304 36.2993 173.5691 9 G 4.6635 7.3439 113.3473 45.6781 0.0000 173.3500 10 E 4.1756 8.2208 126.3707 58.6975 31.3022 176.0870 11 T 4.8575 6.7494 113.9965 62.2548 70.2919 172.8112 12 L 4.8068 8.0049 127.6126 53.7163 43.9599 175.6910 13 M 4.8195 8.5289 119.5206 54.0266 34.2160 173.6231 14 I 4.4338 8.6204 125.9577 58.8891 41.6753 171.3835 15 G 4.0699 8.9570 116.1624 44.8782 0.0000 174.5384 16 D 4.5035 8.3154 115.0983 53.4882 44.7423 175.8818 17 E 5.9800 7.1815 131.9622 57.7042 29.8664 175.3418 18 V 4.8038 7.3341 114.2224 63.0844 36.1538 177.1572 19 T 4.8934 7.0969 121.9538 62.9265 72.4645 172.1652 20 V 4.5514 8.0835 127.9687 61.2614 34.5614 173.9807 21 T 4.5570 8.4805 123.5419 60.0937 68.7465 175.3142 22 V 3.9674 8.5802 126.6961 64.5529 28.9232 177.3970 23 L 3.0411 7.2131 123.1995 54.6645 44.0217 177.6697 24 G 4.1474 8.3848 109.7243 45.4684 0.0000 173.7579 25 V 3.8915 7.2225 118.1819 61.1215 32.3476 174.8006 26 K 4.3044 8.1371 127.3436 55.8214 36.0858 176.7757 27 G 3.9323 9.1609 111.1737 47.4390 0.0000 174.3454 28 N 4.5220 9.5202 116.9730 54.6144 39.8536 175.0383 29 Q 4.4708 7.7794 117.5382 54.0414 30.7909 174.5619 30 V 3.9061 8.1442 124.8505 61.3586 31.7522 175.7221 31 R 4.0585 8.4029 128.6324 56.0248 29.0189 175.0385 32 I 4.1682 8.1428 126.4926 60.3825 38.7084 175.5778 33 G 4.0245 8.6366 113.9185 44.5205 0.0000 172.4537 34 V 4.2769 8.4919 126.0400 61.2417 33.4920 174.4156 35 N 4.8743 8.9458 128.5671 52.1029 39.7923 173.4600 36 A 5.0710 8.2680 127.2715 49.5553 22.4245 173.6137 37 P 4.5108 0.0000 0.0000 61.9116 32.9587 175.6434 38 K 4.4982 8.3726 118.2431 57.0100 32.7935 177.7614 39 E 4.2820 8.2747 120.6207 57.6656 30.6668 176.2151 40 V 3.9664 7.3540 116.0913 61.2619 32.6591 175.1950 41 S 4.1399 8.5104 118.6493 58.6351 61.1445 173.2261 42 V 4.3937 8.1093 126.2887 59.6834 33.1672 174.7688 43 H 4.9790 8.7614 123.8953 54.2916 32.2027 172.5728 44 R 4.5525 8.2091 123.2985 53.6832 34.3769 174.4143 45 E 3.8533 8.3521 118.4394 56.7242 30.7426 176.6144 46 E 3.9353 8.8746 126.4189 59.9497 29.7558 179.2654 47 I 3.6836 7.8346 117.5358 65.0069 38.1236 176.5703 48 Y 4.0553 8.5636 116.3226 62.2513 37.6297 178.6804 49 Q 4.2235 8.6031 117.9702 59.0611 29.0484 178.6158 50 R 4.4484 8.6141 121.9662 57.6617 29.7913 177.8700 51 I 4.4662 7.5378 110.4888 60.8782 39.0047 176.2784 52 Q 4.3519 7.5297 118.3670 58.4433 30.1959 176.0816 53 A 4.0502 8.0276 122.0799 52.9532 19.4201 176.2950 54 E 4.6072 9.0493 111.5586 53.4011 32.1449 176.3963 55 K 3.9689 8.5527 123.0224 57.7289 30.9044 174.2521 56 S 3.4478 8.8104 121.8935 58.9520 60.5145 170.6791 57 Q 4.0283 8.2452 123.7686 56.3286 30.5095 176.6868 58 Q 3.5368 7.9330 117.0321 54.9958 28.3098 171.6022 59 S 4.0730 8.1570 111.7600 59.4730 62.8105 173.2969 60 S 4.8277 7.7104 114.3488 56.6418 64.5091 173.9554 61 Y 4.0879 8.4074 124.0136 58.5925 38.6232 174.4394 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 4.40 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 L 8.41 4.32 0.00 1.65 1.57 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 3 I 9.13 4.25 1.87 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 1.41 0.84 0.91 0.00 0.00 4 L 8.13 4.77 0.00 1.62 1.53 0.92 0.95 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 5 T 8.40 4.03 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 6 R 7.43 4.60 0.00 1.72 1.74 0.00 3.58 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 7 R 7.69 5.06 0.00 1.80 1.80 0.00 3.37 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.44 0.00 8 V 8.28 4.27 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 0.71 0.00 0.00 0.93 0.00 0.00 9 G 7.34 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.22 4.18 0.00 1.94 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 2.30 0.00 11 T 6.75 4.86 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 12 L 8.00 4.81 0.00 1.71 1.91 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.53 4.82 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.50 0.00 14 I 8.62 4.43 1.87 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 1.35 1.32 0.92 0.00 0.00 15 G 8.96 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.32 4.50 0.00 2.62 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 17 E 7.18 5.98 0.00 2.19 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 0.00 2.04 2.05 0.00 18 V 7.33 4.80 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 0.93 0.00 0.00 1.00 0.00 0.00 19 T 7.10 4.89 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 20 V 8.08 4.55 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 1.08 0.00 0.00 0.94 0.00 0.00 21 T 8.48 4.56 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 1.28 0.00 0.00 22 V 8.58 3.97 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 0.68 0.00 0.00 0.94 0.00 0.00 23 L 7.21 3.04 0.00 1.79 1.61 0.97 1.12 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 24 G 8.38 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.22 3.89 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 0.99 0.00 0.00 26 K 8.14 4.30 0.00 1.73 1.80 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.27 7.81 27 G 9.16 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 28 N 9.52 4.52 0.00 2.72 2.87 0.00 0.00 6.62 7.69 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 29 Q 7.78 4.47 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 30 V 8.14 3.91 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 0.96 0.00 0.00 1.00 0.00 0.00 31 R 8.40 4.06 0.00 1.77 1.85 0.00 3.29 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 32 I 8.14 4.17 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 1.51 0.98 0.94 0.00 0.00 33 G 8.64 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 0.00 0.00 0.00 34 V 8.49 4.28 2.12 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 0.93 0.00 0.00 0.98 0.00 0.00 35 N 8.95 4.87 0.00 2.81 2.80 0.00 0.00 6.54 8.05 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 36 A 8.27 5.07 1.19 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 0.00 0.00 37 P 0.00 4.51 0.00 2.09 2.06 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 1.98 2.22 0.00 38 K 8.37 4.50 0.00 1.76 1.86 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.42 7.81 39 E 8.27 4.28 0.00 1.91 1.95 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 2.21 2.27 0.00 40 V 7.35 3.97 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 0.92 0.00 0.00 0.93 0.00 0.00 41 S 8.51 4.14 0.00 3.86 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 42 V 8.11 4.39 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 0.79 0.00 0.00 0.95 0.00 0.00 43 H 8.76 4.98 0.00 3.07 3.14 0.00 5.72 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 44 R 8.21 4.55 0.00 1.82 1.81 0.00 3.31 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 45 E 8.35 3.85 0.00 1.19 1.44 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 2.24 2.22 0.00 46 E 8.87 3.94 0.00 2.06 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 2.44 2.40 0.00 47 I 7.83 3.68 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.27 1.11 0.00 0.00 48 Y 8.56 4.06 0.00 3.15 2.98 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 0.00 0.00 0.00 49 Q 8.60 4.22 0.00 2.32 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.82 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 50 R 8.61 4.45 0.00 2.07 2.02 0.00 3.10 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 51 I 7.54 4.47 1.84 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 1.70 0.64 0.95 0.00 0.00 52 Q 7.53 4.35 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.00 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 53 A 8.03 4.05 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 54 E 9.05 4.61 0.00 1.99 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 2.33 2.23 0.00 55 K 8.55 3.97 0.00 1.82 1.84 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.38 7.81 56 S 8.81 3.45 0.00 3.84 3.69 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 57 Q 8.25 4.03 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 5.89 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 58 Q 7.93 3.54 0.00 2.28 2.38 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 2.32 2.40 0.00 59 S 8.16 4.07 0.00 3.92 3.79 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 0.00 0.00 0.00 60 S 7.71 4.83 0.00 3.84 3.69 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 61 Y 8.41 4.09 0.00 3.16 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