NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2675 8.3044 120.3419 57.0283 32.5255 173.2653 2 I 2.6293 8.1851 112.8518 60.8734 36.4897 167.9785 3 V 2.5726 7.5748 128.2705 61.3932 32.6404 173.8169 4 P 4.4005 0.0000 0.0000 62.1395 31.9389 176.3353 5 V 3.7128 8.1243 120.0531 62.8983 32.2406 176.6482 6 R 4.0370 8.8616 115.9035 56.1098 27.5003 176.1216 7 C 3.6865 8.2497 118.5655 58.1625 29.9564 175.0168 8 F 4.3393 7.7426 120.7834 60.6165 38.9162 176.7761 9 S 4.4811 8.0987 115.3552 60.7324 63.3890 174.2697 10 C 4.3658 8.4742 113.2951 58.5063 42.3140 173.0266 11 G 3.3262 7.5427 113.1689 44.4647 0.0000 174.3414 12 K 3.6874 8.0411 121.7452 56.4263 32.4337 175.9412 13 V 3.9247 8.4013 118.9049 62.4701 31.8178 176.2668 14 V 4.4155 8.2940 114.4785 60.7649 33.5496 176.9811 15 G 3.6466 7.8986 110.4909 48.2746 0.0000 175.6553 16 D 4.4420 8.0124 120.4802 54.6744 39.6980 177.9894 17 K 4.3999 8.4190 119.4212 57.0557 32.7776 178.0075 18 W 4.4457 8.3057 128.9552 61.0331 30.6264 176.8571 19 E 3.7741 8.5597 117.2373 60.1788 28.8363 179.4011 20 S 4.0702 8.0751 113.7630 62.3431 62.8741 175.6343 21 Y 4.0625 8.0380 121.4728 60.8948 38.3927 178.2406 22 L 3.4419 7.5695 119.0861 57.8652 41.8749 179.4588 23 N 4.1773 7.8470 115.8448 56.5125 38.0874 177.4984 24 L 4.3351 7.8944 120.7508 56.2021 41.4128 179.2899 25 L 3.9664 7.2977 119.9172 56.9881 41.7861 178.3669 26 Q 4.2488 7.5996 114.5097 57.5685 29.5716 175.6999 27 E 4.2967 8.2438 121.4238 56.6291 29.9688 175.2234 28 D 4.6793 7.6087 115.0840 53.3012 40.9954 176.1297 29 E 4.0515 7.2560 114.7831 57.3176 26.7991 172.9453 30 L 4.7287 7.5715 117.7561 52.6057 45.4592 176.5977 31 D 4.7611 8.1756 119.3673 52.3849 41.8666 177.1511 32 E 4.0638 8.9103 122.1726 60.5020 29.0141 178.9513 33 G 3.7486 8.5885 102.9213 49.2118 0.0000 174.9102 34 T 3.9802 8.0963 118.2118 65.6377 69.1164 176.6489 35 A 3.9924 8.0619 123.0098 55.1426 18.0024 179.5358 36 L 4.1027 8.4377 117.7569 57.9038 41.4800 179.7030 37 S 4.3473 7.6822 113.7128 60.5819 62.8886 176.4698 38 R 3.9153 7.8428 121.2667 59.1315 29.9465 177.4701 39 L 4.0862 7.4050 115.5669 55.9559 41.7902 177.8514 40 G 3.8943 7.9244 107.0164 45.5216 0.0000 174.4454 41 L 4.3720 7.1653 120.9100 53.1842 40.1814 176.6536 42 K 4.2263 8.1096 121.4212 58.7282 34.0025 178.8686 43 R 3.8605 7.7019 118.1393 55.7459 30.9014 176.4451 44 Y 4.5221 7.4585 120.1022 58.1240 38.5834 177.5780 45 C 4.1993 7.3161 117.0308 61.8997 29.8055 176.0606 46 C 4.4373 7.8786 116.2839 57.9376 38.4512 175.4073 47 R 4.0637 8.0477 121.0263 58.6110 29.4903 178.2693 48 R 4.2674 8.4231 115.0907 58.0372 28.9485 178.1714 49 M 4.0207 7.8709 119.7219 57.7951 31.8817 177.4100 50 I 4.0731 6.9611 116.2190 63.1059 38.1252 177.6993 51 L 3.8619 7.3663 117.9909 57.5369 41.8651 178.0781 52 T 4.3771 7.1621 113.9175 64.1896 70.1111 174.8445 53 H 3.9601 7.0213 115.9531 56.6151 30.2379 174.1247 54 V 4.1945 7.7254 125.0604 61.0459 33.2853 175.9965 55 D 4.4817 8.2477 129.1758 53.2931 39.4021 176.3974 56 L 3.8271 7.7049 123.0792 57.0548 42.8714 179.5374 57 I 3.7953 7.9873 118.3531 64.5441 37.5039 176.9750 58 E 3.8946 7.3887 116.5989 59.4128 29.5939 179.1010 59 K 4.0906 8.6502 118.6441 58.5201 32.5374 179.0868 60 F 4.8578 7.1302 117.4607 60.3307 38.6092 177.3494 61 L 4.0473 7.9326 118.3752 57.8669 41.5276 178.8479 62 R 3.9926 7.1729 115.8575 58.6102 30.1006 176.4796 63 Y 4.2051 6.8104 115.4706 58.0206 37.9352 175.4169 64 N 4.3570 8.8483 124.8565 55.9427 39.5769 172.6390 65 P 4.4820 0.0000 0.0000 62.9001 31.7198 175.7786 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 4.27 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.67 0.00 2 I 8.19 2.63 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.65 0.91 0.00 0.00 3 V 7.57 2.57 1.87 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 0.73 0.00 0.00 0.16 0.00 0.00 4 P 0.00 4.40 0.00 1.86 1.92 0.00 3.50 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.02 0.00 5 V 8.12 3.71 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 0.78 0.00 0.00 0.92 0.00 0.00 6 R 8.86 4.04 0.00 1.88 2.14 0.00 3.33 0.00 0.00 3.93 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 7 C 8.25 3.69 0.00 2.91 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 8 F 7.74 4.34 0.00 3.07 3.08 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 0.00 0.00 0.00 0.00 9 S 8.10 4.48 0.00 3.85 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 10 C 8.47 4.37 0.00 3.02 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 11 G 7.54 3.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.04 3.69 0.00 1.76 1.69 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.48 7.81 13 V 8.40 3.92 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 0.75 0.00 0.00 0.92 0.00 0.00 14 V 8.29 4.42 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 0.66 0.00 0.00 0.85 0.00 0.00 15 G 7.90 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 16 D 8.01 4.44 0.00 2.81 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 17 K 8.42 4.40 0.00 2.03 1.93 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.41 1.44 7.81 18 W 8.31 4.45 0.00 3.35 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 0.00 19 E 8.56 3.77 0.00 2.05 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 2.55 2.45 0.00 20 S 8.08 4.07 0.00 3.89 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 21 Y 8.04 4.06 0.00 3.02 2.94 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 22 L 7.57 3.44 0.00 1.62 1.48 -0.24 0.40 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 23 N 7.85 4.18 0.00 2.83 2.80 0.00 0.00 7.15 6.77 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 24 L 7.89 4.34 0.00 1.69 1.64 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.30 3.97 0.00 1.38 1.47 0.14 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.60 4.25 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 27 E 8.24 4.30 0.00 2.11 1.78 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 2.18 2.24 0.00 28 D 7.61 4.68 0.00 2.83 2.82 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 29 E 7.26 4.05 0.00 2.21 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 2.21 2.30 0.00 30 L 7.57 4.73 0.00 1.79 1.54 0.89 0.94 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 31 D 8.18 4.76 0.00 2.86 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 32 E 8.91 4.06 0.00 2.16 2.28 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 2.48 2.49 0.00 33 G 8.59 3.75 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 0.00 0.00 0.00 34 T 8.10 3.98 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 35 A 8.06 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.44 4.10 0.00 1.99 1.79 1.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.68 4.35 0.00 4.09 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 38 R 7.84 3.92 0.00 1.80 1.98 0.00 3.25 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 39 L 7.40 4.09 0.00 1.82 1.73 1.07 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.92 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.17 4.37 0.00 1.96 1.64 0.94 0.85 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 42 K 8.11 4.23 0.00 1.86 1.92 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.39 7.81 43 R 7.70 3.86 0.00 1.82 1.96 0.00 2.87 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 44 Y 7.46 4.52 0.00 3.26 3.32 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 0.00 45 C 7.32 4.20 0.00 3.16 3.11 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 0.00 0.00 0.00 0.00 46 C 7.88 4.44 0.00 2.98 3.11 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 0.00 0.00 0.00 0.00 47 R 8.05 4.06 0.00 1.97 2.03 0.00 3.53 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 48 R 8.42 4.27 0.00 2.09 2.30 0.00 2.86 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.99 0.00 49 M 7.87 4.02 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 50 I 6.96 4.07 1.66 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 1.33 0.94 0.21 0.00 0.00 51 L 7.37 3.86 0.00 1.67 1.86 1.01 1.00 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 52 T 7.16 4.38 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 1.25 0.00 0.00 53 H 7.02 3.96 0.00 3.02 3.13 0.00 5.69 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 54 V 7.73 4.19 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 0.82 0.00 0.00 0.97 0.00 0.00 55 D 8.25 4.48 0.00 2.87 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.70 3.83 0.00 1.58 1.23 0.96 0.61 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 57 I 7.99 3.80 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.32 0.91 0.00 0.00 58 E 7.39 3.89 0.00 2.09 2.01 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 2.59 2.60 0.00 59 K 8.65 4.09 0.00 1.48 1.61 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.34 7.81 60 F 7.13 4.86 0.00 3.18 3.15 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 61 L 7.93 4.05 0.00 1.79 1.77 0.96 0.82 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 62 R 7.17 3.99 0.00 1.73 1.54 0.00 3.24 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 63 Y 6.81 4.21 0.00 3.18 2.93 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 64 N 8.85 4.36 0.00 2.71 2.86 0.00 0.00 7.20 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 65 P 0.00 4.48 0.00 2.24 2.03 0.00 3.92 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00