NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9576 8.3544 109.7384 45.8588 0.0000 174.2993 2 K 4.4341 8.7350 125.0769 54.1287 32.6028 173.0139 3 E 4.5235 8.2788 115.3232 56.0415 32.0861 176.2780 4 C 5.2425 7.6482 117.1074 57.5380 44.1498 171.7654 5 D 4.8711 8.4117 124.8688 53.4931 40.7643 177.0890 6 C 4.7603 7.8029 117.8751 55.8957 46.3415 173.4760 7 S 4.2503 8.6000 120.3097 58.4336 62.7404 173.7680 8 S 4.3738 7.8175 117.3330 57.9918 62.4839 172.6209 9 P 4.5645 0.0000 0.0000 63.4714 31.4343 176.1115 10 E 4.5478 7.7990 117.6084 55.6124 30.5914 174.8109 11 N 4.5003 7.8992 117.9627 53.6061 39.3549 173.4435 12 P 4.5685 0.0000 0.0000 63.9267 32.0767 177.1834 13 C 4.7073 8.0254 116.4470 57.2533 41.2004 171.9706 14 C 5.4018 7.6584 113.6213 53.4047 42.5428 173.3295 15 D 4.5584 9.1524 123.6183 53.8761 41.5012 176.9457 16 A 3.9276 8.7419 129.1146 55.1652 18.8184 179.3182 17 A 4.1209 7.6983 118.1185 54.7646 18.4037 178.2740 18 T 4.3482 7.3114 101.9194 60.6529 70.6240 174.1977 19 C 4.0139 8.8793 121.3140 56.9126 40.1023 172.0661 20 K 5.1688 7.6426 118.5808 54.1706 34.7250 174.4053 21 L 4.9652 8.2797 118.9807 54.6387 42.2811 176.9768 22 R 4.1205 8.6810 124.3497 58.2523 30.7573 174.6797 23 P 4.6208 0.0000 0.0000 62.3299 33.3612 176.3408 24 G 3.9498 8.4994 110.8137 45.9571 0.0000 173.8737 25 A 4.1135 7.7014 122.0020 51.9283 18.8478 178.3611 26 Q 4.0405 8.3211 120.1835 56.4296 29.7975 176.2076 27 C 4.9689 8.3672 115.0196 56.7716 47.0334 174.4000 28 G 3.6147 8.7415 114.5528 46.9789 0.0000 173.2302 29 E 4.6960 6.9600 114.6277 54.9814 31.6112 174.9022 30 G 4.5266 8.0701 111.7917 45.0006 0.0000 172.8130 31 L 4.1633 8.1286 119.9013 56.8310 42.1197 178.6517 32 C 4.9433 9.1601 117.8797 56.7334 40.7825 173.2680 33 C 5.1994 8.1964 117.7538 55.2777 36.6516 174.2632 34 E 4.3116 9.0025 125.3414 55.4360 28.8130 175.8908 35 Q 3.4600 8.8452 127.9202 57.7666 26.9817 174.4070 36 C 4.7611 8.3465 109.1710 57.2236 38.7552 173.0292 37 K 4.9558 7.3913 118.9943 54.1004 34.5860 175.4790 38 F 4.8183 8.7635 120.3590 57.6571 39.5408 175.6227 39 S 4.4275 9.0192 120.4750 58.9437 63.8135 173.2328 40 R 4.9614 8.3390 117.2063 54.1209 31.5350 176.2991 41 A 4.5988 8.0066 123.8418 52.6066 18.6485 177.9204 42 G 3.6596 8.6273 103.8582 46.4591 0.0000 173.3039 43 K 4.4287 7.2585 118.9452 53.9942 33.8286 175.2008 44 I 4.4069 8.4651 129.3734 61.4184 37.8426 174.0914 45 C 4.9901 9.8946 124.8197 55.6065 37.9814 174.2690 46 R 4.8574 7.8160 117.5168 54.4724 34.5169 173.5348 47 I 4.8052 8.2651 122.3044 58.5095 40.2034 173.2517 48 P 4.5711 0.0000 0.0000 62.4020 32.7189 176.0240 49 R 4.2625 8.7273 121.0297 58.4978 30.8001 173.2548 50 G 3.9458 8.0200 116.8352 44.3335 0.0000 173.0788 51 E 4.8635 7.2361 115.2627 55.0078 30.8003 174.3939 52 M 4.7880 7.4670 121.4787 53.3678 36.8343 173.4941 53 P 4.3941 0.0000 0.0000 62.6675 32.5198 175.7004 54 D 4.6051 8.3224 121.1867 54.1592 42.5043 175.1710 55 D 4.8543 8.5834 118.9569 52.9214 42.9758 174.5814 56 R 5.1256 8.4748 127.1231 54.5937 31.4817 176.6054 57 C 4.6002 10.1187 125.0655 57.0827 41.4586 174.4427 58 T 4.2626 8.4625 111.0739 61.8312 69.1468 175.0971 59 G 4.6531 8.2855 116.5625 46.5573 0.0000 175.7578 60 Q 4.5128 7.3784 115.9018 56.2735 28.9259 176.1786 61 S 4.2536 7.2019 114.1112 56.5334 63.8292 174.0155 62 A 3.7890 7.5014 128.8781 55.1432 18.7198 177.5282 63 D 4.9797 7.5596 114.5311 53.8641 41.9989 175.6829 64 C 5.1090 8.3152 120.3619 54.1912 45.5177 172.2677 65 P 4.4717 0.0000 0.0000 62.2315 32.5849 174.6329 66 R 4.6960 8.3258 113.8283 55.0388 31.6920 172.7851 67 Y 4.2759 7.7447 115.3262 59.1687 41.4881 174.4681 68 H 4.6059 8.3566 124.4337 56.4931 30.0117 175.3516 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 G 8.35 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.74 4.43 0.00 1.77 1.74 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.44 7.81 3 E 8.28 4.52 0.00 2.08 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 2.17 2.26 0.00 4 C 7.65 5.24 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.41 4.87 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 7.80 4.76 0.00 2.90 3.04 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 7 S 8.60 4.25 0.00 3.86 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.82 4.37 0.00 3.93 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.56 0.00 2.18 2.16 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 10 E 7.80 4.55 0.00 1.90 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 2.17 2.25 0.00 11 N 7.90 4.50 0.00 2.98 2.68 0.00 0.00 6.93 7.41 0.00 0.00 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 P 0.00 4.57 0.00 2.22 2.15 0.00 3.81 0.00 0.00 3.80 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 13 C 8.03 4.71 0.00 3.01 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.66 5.40 0.00 3.10 3.01 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 0.00 0.00 0.00 15 D 9.15 4.56 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 3.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.70 4.12 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 18 T 7.31 4.35 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 19 C 8.88 4.01 0.00 3.11 3.35 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 0.00 20 K 7.64 5.17 0.00 1.84 1.71 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.49 7.81 21 L 8.28 4.97 0.00 1.61 1.60 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.68 4.12 0.00 1.77 1.94 0.00 3.23 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 23 P 0.00 4.62 0.00 2.21 2.08 0.00 3.84 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 24 G 8.50 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 0.00 0.00 0.00 25 A 7.70 4.11 1.32 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 0.00 0.00 26 Q 8.32 4.04 0.00 1.73 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.56 0.00 0.00 0.00 0.00 0.00 1.16 1.88 0.00 27 C 8.37 4.97 0.00 3.33 3.23 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 0.00 28 G 8.74 3.61 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 0.00 0.00 0.00 29 E 6.96 4.70 0.00 2.02 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 0.00 2.13 2.31 0.00 30 G 8.07 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.13 4.16 0.00 1.71 1.73 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 32 C 9.16 4.94 0.00 2.97 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 33 C 8.20 5.20 0.00 3.09 3.07 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 34 E 9.00 4.31 0.00 2.15 2.15 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 2.35 2.28 0.00 35 Q 8.85 3.46 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 36 C 8.35 4.76 0.00 3.22 3.35 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 0.00 37 K 7.39 4.96 0.00 1.99 1.72 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.36 7.81 38 F 8.76 4.82 0.00 2.81 3.26 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 0.00 39 S 9.02 4.43 0.00 3.89 4.09 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 0.00 0.00 0.00 0.00 40 R 8.34 4.96 0.00 1.72 1.89 0.00 3.26 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 41 A 8.01 4.60 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.63 3.66 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 43 K 7.26 4.43 0.00 2.01 1.68 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.39 7.81 44 I 8.47 4.41 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 1.39 1.19 0.91 0.00 0.00 45 C 9.89 4.99 0.00 2.86 3.14 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 46 R 7.82 4.86 0.00 1.71 1.80 0.00 3.23 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 47 I 8.27 4.81 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.03 0.90 0.00 0.00 48 P 0.00 4.57 0.00 2.10 2.05 0.00 3.75 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 1.91 2.04 0.00 49 R 8.73 4.26 0.00 1.72 1.83 0.00 3.21 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 50 G 8.02 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 0.00 0.00 0.00 51 E 7.24 4.86 0.00 1.99 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 0.00 2.11 2.24 0.00 52 M 7.47 4.79 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 53 P 0.00 4.39 0.00 1.24 1.61 0.00 3.66 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 54 D 8.32 4.61 0.00 2.52 2.63 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 55 D 8.58 4.85 0.00 2.74 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 R 8.47 5.13 0.00 1.86 1.85 0.00 3.40 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 57 C 10.12 4.60 0.00 2.91 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 58 T 8.46 4.26 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 1.19 0.00 0.00 59 G 8.29 4.65 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 60 Q 7.38 4.51 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.67 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 61 S 7.20 4.25 0.00 3.79 3.66 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 62 A 7.50 3.79 0.93 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 63 D 7.56 4.98 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.32 5.11 0.00 2.88 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 65 P 0.00 4.47 0.00 2.19 2.02 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 66 R 8.33 4.70 0.00 1.92 1.95 0.00 2.96 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 67 Y 7.74 4.28 0.00 2.99 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 68 H 8.36 4.61 0.00 3.18 3.27 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