NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3837 8.3044 120.3489 54.8973 33.1133 174.9583 2 V 3.5628 8.4049 126.2444 62.6803 32.3280 172.4015 3 E 4.5621 9.0722 126.2581 53.1826 29.9091 173.8033 4 P 3.7374 0.0000 0.0000 63.5333 32.0970 176.6059 5 L 3.8614 7.9601 118.9655 58.7220 42.2950 179.5488 6 L 3.9768 8.1734 120.0058 58.1561 42.0513 178.4926 7 D 4.4639 8.1684 118.5833 57.4203 40.8186 178.9338 8 G 3.6279 8.1885 106.1808 47.6768 0.0000 175.4796 9 L 4.0221 7.8728 121.4284 58.4502 41.5638 179.2320 10 V 3.6969 8.2887 118.7190 64.9925 31.3831 177.6314 11 L 3.9591 8.4194 118.2282 58.6822 41.9222 179.3192 12 G 3.8991 8.3049 103.4883 49.1569 0.0000 175.4905 13 L 3.9796 8.1962 121.9796 57.7937 42.2037 179.3952 14 V 3.2014 8.5212 116.7472 67.1932 31.2150 177.5893 15 F 4.3078 9.0072 116.7326 60.9806 38.9629 178.3548 16 A 3.9398 7.8972 121.2967 54.5224 18.7719 178.3564 17 T 4.3724 8.0027 113.4012 66.0520 69.5518 177.5057 18 L 3.9662 7.6687 120.8637 55.5785 41.8411 179.2969 19 G 4.0432 9.2212 97.1410 47.9222 0.0000 176.2258 20 G 4.1429 9.4894 117.0707 48.1009 0.0000 173.2565 21 L 4.2225 9.0047 124.3588 56.2294 41.6969 178.5419 22 F 4.2591 7.7072 119.2490 61.2707 39.7493 177.3468 23 Y 4.2561 8.6893 118.7955 60.5692 38.5183 177.8031 24 A 3.8897 8.6007 121.4971 54.3152 18.0721 178.7046 25 A 4.2417 8.0043 118.0263 54.3482 18.1080 176.8259 26 Y 4.3425 7.7102 115.9047 58.0801 40.7682 178.0160 27 Q 3.6374 8.1008 120.3466 58.1646 29.6756 178.8618 28 Q 4.3670 12.0000 118.5956 57.8880 31.3940 175.4531 29 Y 4.3189 7.5708 115.6833 57.3855 38.4258 175.6468 30 K 4.4769 7.7191 115.3969 56.2366 38.1156 176.3150 31 R 4.4758 7.1702 119.2436 54.8879 30.2383 174.2736 32 P 4.3317 0.0000 0.0000 62.2115 30.3458 172.0703 33 N 4.0858 7.2195 116.2052 52.5394 38.4472 175.0364 34 E 3.3388 7.7330 114.7220 56.6988 28.6715 177.0415 35 L 3.8477 8.4533 123.6988 54.2428 40.2507 174.6192 36 G 4.0802 8.3215 107.2494 46.0144 0.0000 173.9934 37 G 4.2025 7.8095 112.3696 45.8090 0.0000 173.7856 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 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 V 8.40 3.56 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 0.79 0.00 0.00 0.93 0.00 0.00 3 E 9.07 4.56 0.00 1.94 1.74 0.00 0.00 0.00 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 2.24 0.00 4 P 0.00 3.74 0.00 2.21 1.92 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 5 L 7.96 3.86 0.00 1.75 1.71 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.17 3.98 0.00 1.86 1.66 0.92 1.13 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 7 D 8.17 4.46 0.00 2.89 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 G 8.19 3.63 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 9 L 7.87 4.02 0.00 1.83 1.75 0.94 0.86 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 10 V 8.29 3.70 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 0.99 0.00 0.00 0.97 0.00 0.00 11 L 8.42 3.96 0.00 1.90 2.04 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.30 3.90 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 0.00 0.00 0.00 13 L 8.20 3.98 0.00 1.66 1.74 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.52 3.20 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 0.55 0.00 0.00 0.78 0.00 0.00 15 F 9.01 4.31 0.00 3.31 3.06 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 0.00 0.00 0.00 0.00 16 A 7.90 3.94 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.00 4.37 4.42 0.00 0.00 0.00 0.00 0.00 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 18 L 7.67 3.97 0.00 2.01 1.92 0.93 1.04 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 19 G 9.22 4.04 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 0.00 0.00 0.00 20 G 9.49 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.00 4.22 0.00 1.92 1.36 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 22 F 7.71 4.26 0.00 3.12 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 23 Y 8.69 4.26 0.00 3.13 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 24 A 8.60 3.89 1.38 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 0.00 0.00 0.00 25 A 8.00 4.24 1.38 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 0.00 0.00 0.00 26 Y 7.71 4.34 0.00 3.24 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 27 Q 8.10 3.64 0.00 1.76 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.35 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 28 Q 12.00 4.37 0.00 2.28 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.89 0.00 0.00 0.00 0.00 0.00 2.23 2.50 0.00 29 Y 7.57 4.32 0.00 3.04 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 30 K 7.72 4.48 0.00 1.71 1.70 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 0.85 7.81 31 R 7.17 4.48 0.00 2.04 1.87 0.00 3.29 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 32 P 0.00 4.33 0.00 2.11 1.96 0.00 3.45 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.76 0.00 33 N 7.22 4.09 0.00 2.81 2.83 0.00 0.00 7.03 7.65 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 34 E 7.73 3.34 0.00 2.05 2.14 0.00 0.00 0.00 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 35 L 8.45 3.85 0.00 1.82 1.89 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.32 4.08 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 0.00 0.00 0.00 37 G 7.81 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00