NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3810 8.1627 120.2682 55.3001 34.2228 173.9101 2 Q 5.1707 8.5973 122.7156 52.2662 30.4188 172.7297 3 I 4.2135 8.6765 121.4036 59.0987 41.5357 173.8516 4 F 5.4665 8.5952 121.1512 55.7701 42.4971 174.8828 5 V 4.7819 9.0512 121.7086 61.2225 34.3727 173.9599 6 K 5.1069 9.2748 130.5326 55.1512 34.2142 175.3690 7 T 4.7825 8.6319 116.9859 59.5123 71.4769 174.9248 8 L 3.9234 8.7988 124.2305 58.5524 42.0466 178.5354 9 T 3.8606 7.8577 107.2933 63.5540 68.6031 174.7601 10 G 4.0707 8.1094 108.6293 44.6344 0.0000 173.2022 11 K 4.2865 7.8259 121.8781 56.1175 33.6282 175.5548 12 T 5.0279 8.4461 123.2974 61.9972 70.5710 173.6316 13 I 4.4260 9.3212 128.8641 60.3622 39.2206 175.0140 14 T 4.6509 8.5351 123.2529 62.7800 69.6514 174.1409 15 L 4.7660 8.7617 125.5688 52.9517 45.8305 175.6513 16 E 4.6366 8.7338 120.7491 54.7875 30.5845 175.5540 17 V 4.7122 8.8807 117.2114 59.3966 35.6654 175.1152 18 E 4.6591 9.3724 122.1481 54.1016 31.8633 175.8120 19 P 4.2703 0.0000 0.0000 65.7309 31.6207 178.9270 20 S 4.2693 7.9201 112.5448 60.2783 63.2919 174.2718 21 D 4.4238 7.8089 122.2791 54.2936 41.2479 176.4183 22 T 4.6608 8.2810 114.4718 61.2144 71.2549 175.7974 23 I 3.7536 7.8934 121.9558 64.4888 36.9865 178.7280 24 E 3.9904 8.1648 118.0615 59.3220 29.3669 178.8621 25 N 4.2961 7.8661 116.3707 56.1000 38.5295 177.4491 26 V 3.5508 7.6296 119.1022 66.0199 31.6290 178.1516 27 K 4.1522 8.5084 119.3810 58.9344 31.7290 179.1909 28 A 4.0355 8.2980 121.3370 55.0515 18.5992 179.8600 29 K 3.9902 8.3437 117.3162 59.4040 32.0970 179.5827 30 I 3.5927 7.9860 120.4373 63.8821 37.0276 178.1105 31 Q 4.2057 7.8897 122.2440 58.5315 28.6583 177.0560 32 D 4.6599 7.5455 116.7203 54.7559 40.8264 176.7733 33 K 4.4995 7.3487 118.2848 56.9023 34.5691 176.9390 34 E 4.4690 8.6337 115.3828 55.3953 31.6979 177.1395 35 G 3.9360 8.2516 105.8622 45.0594 0.0000 173.1260 36 I 4.0450 7.4807 121.6367 59.4557 38.0378 173.7940 37 P 4.5185 0.0000 0.0000 62.0074 32.0715 175.5736 38 P 4.2170 0.0000 0.0000 65.7455 31.4021 177.4469 39 D 4.6262 8.0476 114.7233 53.8428 39.7353 176.3450 40 Q 4.5845 8.2367 118.1173 56.0876 30.3171 174.7352 41 Q 5.0537 7.9890 119.6217 54.0706 31.7071 174.7653 42 R 4.7665 9.1312 122.5543 54.4270 33.4363 174.3695 43 L 5.0829 8.5119 124.0101 53.2021 44.2396 175.4372 44 I 4.9316 8.6773 124.1897 59.4383 40.2151 174.3229 45 F 4.9603 8.2176 128.7550 56.5270 41.8472 174.3387 46 A 3.2229 8.5285 128.4154 53.3032 15.6540 178.7346 47 G 3.9901 8.3254 106.5051 46.8327 0.0000 174.2977 48 K 4.6807 7.3131 117.6798 54.0903 35.2599 175.2815 49 Q 4.3851 8.4886 121.0170 55.9043 29.3986 175.6930 50 L 4.0240 8.6309 125.2081 54.1448 42.2399 176.0382 51 E 4.5374 9.0508 125.3457 54.6265 31.4062 175.2990 52 D 4.5000 8.7407 126.1368 56.3658 41.6319 175.2635 53 G 4.3810 8.3878 115.5425 46.2591 0.0000 174.7980 54 R 4.0612 7.4815 120.1063 55.3593 30.5764 176.8861 55 T 4.4549 8.3214 112.6666 61.2847 69.6485 175.1822 56 L 4.2120 8.6950 122.1918 57.8071 41.3609 179.7652 57 S 4.1286 8.2438 113.3903 61.3445 62.0820 175.4140 58 D 4.5394 7.6243 119.5207 55.7511 40.4557 176.2847 59 Y 4.7122 7.3378 115.9102 56.6796 38.9244 174.9642 60 N 4.1964 7.9148 115.1056 54.0708 36.9455 174.3880 61 I 3.7627 7.7112 117.7914 60.9261 38.0659 175.8602 62 Q 4.7808 7.4492 123.0259 54.1934 31.2175 175.5611 63 K 4.0985 8.3210 117.1197 58.2028 32.6618 178.1509 64 E 4.4159 8.3966 118.8992 57.0381 28.7243 175.3324 65 S 4.6308 7.7439 114.4564 58.5728 64.7559 173.2142 66 T 5.1417 8.6443 118.1545 62.1339 70.1940 174.1032 67 L 4.8572 9.3448 126.9460 54.2494 44.2012 175.2739 68 H 5.2698 9.2457 119.2768 54.0767 31.1505 173.2274 69 L 4.8140 9.1022 126.8616 54.0156 42.9781 175.7174 70 V 4.4730 8.9771 126.9033 61.0394 34.2262 173.9298 71 L 5.0897 8.5386 127.1430 53.2912 43.6881 176.7156 72 R 4.4256 8.4932 123.6557 54.7775 29.6195 175.5320 73 L 4.7727 8.1666 122.6813 52.5388 44.5780 176.6000 74 R 4.3544 8.4626 121.0158 55.3186 31.1882 177.0093 75 G 3.7324 8.5326 110.3691 45.7004 0.0000 172.5128 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 8.16 4.38 0.00 1.93 2.04 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 2.65 2.52 0.00 2 Q 8.60 5.17 0.00 2.06 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 1.54 1.87 0.00 3 I 8.68 4.21 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.01 0.84 0.00 0.00 4 F 8.60 5.47 0.00 3.02 2.92 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 0.00 0.00 0.00 5 V 9.05 4.78 2.11 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 0.96 0.00 0.00 0.94 0.00 0.00 6 K 9.27 5.11 0.00 1.76 1.51 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.47 7.81 7 T 8.63 4.78 4.25 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 1.22 0.00 0.00 8 L 8.80 3.92 0.00 1.61 1.77 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.86 3.86 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 10 G 8.11 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 11 K 7.83 4.29 0.00 1.93 1.68 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.43 7.81 12 T 8.45 5.03 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 1.24 0.00 0.00 13 I 9.32 4.43 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.74 0.93 0.00 0.00 14 T 8.54 4.65 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 15 L 8.76 4.77 0.00 1.55 1.44 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.73 4.64 0.00 1.77 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 2.15 2.21 0.00 17 V 8.88 4.71 2.03 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 0.63 0.00 0.00 0.85 0.00 0.00 18 E 9.37 4.66 0.00 1.95 1.82 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 2.22 2.39 0.00 19 P 0.00 4.27 0.00 2.16 2.08 0.00 3.57 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 2.09 2.08 0.00 20 S 7.92 4.27 0.00 3.85 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 21 D 7.81 4.42 0.00 2.86 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 22 T 8.28 4.66 4.26 0.00 0.00 0.00 0.00 0.00 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 23 I 7.89 3.75 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.02 0.90 0.00 0.00 24 E 8.16 3.99 0.00 2.19 2.37 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 2.37 2.40 0.00 25 N 7.87 4.30 0.00 3.09 2.90 0.00 0.00 6.56 7.56 0.00 0.00 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 V 7.63 3.55 2.22 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 1.09 0.00 0.00 0.95 0.00 0.00 27 K 8.51 4.15 0.00 2.01 1.85 0.00 1.86 0.00 0.00 1.95 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.44 7.81 28 A 8.30 4.04 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 29 K 8.34 3.99 0.00 1.98 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.61 7.81 30 I 7.99 3.59 2.16 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 1.40 0.96 0.95 0.00 0.00 31 Q 7.89 4.21 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 32 D 7.55 4.66 0.00 2.77 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 33 K 7.35 4.50 0.00 1.87 1.80 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.54 7.81 34 E 8.63 4.47 0.00 1.92 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 2.23 2.36 0.00 35 G 8.25 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 36 I 7.48 4.05 1.87 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 1.47 1.13 0.97 0.00 0.00 37 P 0.00 4.52 0.00 2.47 2.18 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 38 P 0.00 4.22 0.00 2.20 2.15 0.00 3.59 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 8.05 4.63 0.00 2.79 2.76 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 40 Q 8.24 4.58 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 41 Q 7.99 5.05 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 42 R 9.13 4.77 0.00 1.74 1.80 0.00 3.27 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 43 L 8.51 5.08 0.00 1.56 1.54 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.68 4.93 1.91 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 1.27 1.00 0.88 0.00 0.00 45 F 8.22 4.96 0.00 2.87 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 46 A 8.53 3.22 1.08 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 47 G 8.33 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.31 4.68 0.00 1.85 1.72 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.55 7.81 49 Q 8.49 4.39 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 50 L 8.63 4.02 0.00 1.34 1.21 0.72 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.05 4.54 0.00 2.22 1.93 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 2.30 2.37 0.00 52 D 8.74 4.50 0.00 2.72 2.83 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 0.00 0.00 0.00 0.00 53 G 8.39 4.38 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 0.00 54 R 7.48 4.06 0.00 1.82 1.80 0.00 3.09 0.00 0.00 3.08 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 55 T 8.32 4.45 4.47 0.00 0.00 0.00 0.00 0.00 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 56 L 8.70 4.21 0.00 1.84 1.73 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.24 4.13 0.00 3.98 3.84 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 58 D 7.62 4.54 0.00 2.61 2.30 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 59 Y 7.34 4.71 0.00 2.97 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 60 N 7.91 4.20 0.00 2.86 2.90 0.00 0.00 6.91 8.62 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 61 I 7.71 3.76 1.66 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.13 0.62 0.00 0.00 62 Q 7.45 4.78 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 63 K 8.32 4.10 0.00 1.84 1.73 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.46 7.81 64 E 8.40 4.42 0.00 2.22 2.24 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 2.34 2.55 0.00 65 S 7.74 4.63 0.00 4.15 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 66 T 8.64 5.14 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 1.17 0.00 0.00 67 L 9.34 4.86 0.00 1.59 1.62 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.25 5.27 0.00 3.02 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.10 4.81 0.00 1.60 1.59 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.98 4.47 2.20 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 0.94 0.00 0.00 0.94 0.00 0.00 71 L 8.54 5.09 0.00 1.55 1.56 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.49 4.43 0.00 1.73 1.90 0.00 3.28 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 73 L 8.17 4.77 0.00 1.60 1.55 0.92 0.99 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 74 R 8.46 4.35 0.00 1.80 1.86 0.00 3.15 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 75 G 8.53 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00