NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4771 8.0333 117.3230 63.5860 70.7364 172.3982 2 M 4.5974 9.0523 125.3500 54.7815 33.3946 173.4830 3 C 4.9678 9.6344 121.0538 55.0853 45.5323 173.1257 4 Y 4.8952 8.4556 119.6975 58.5589 38.6934 175.6535 5 S 4.7083 8.8486 116.6527 57.4812 66.2581 172.4857 6 H 5.0193 8.8587 120.7153 55.5392 31.5193 174.1854 7 T 4.7868 8.3494 110.9714 60.6758 71.1348 175.2335 8 T 4.2461 8.8323 109.7729 63.9085 68.9270 174.8274 9 T 4.4740 7.1360 107.2098 61.5014 70.6189 174.8930 10 S 4.3756 7.6679 116.0508 57.6087 63.7226 174.2654 11 R 3.9945 8.2875 120.5730 56.1260 30.4535 176.4979 12 A 4.6678 8.3800 124.0365 52.0429 19.3185 176.6052 13 I 4.7761 8.7327 114.5522 59.2380 41.9550 173.5208 14 L 5.0694 8.4639 124.0296 53.8037 43.9531 175.3084 15 T 4.5762 8.4150 119.3259 60.3106 71.0207 172.3777 16 N 4.7920 8.8348 127.4439 52.9498 38.7068 175.1974 17 C 4.5441 9.2738 124.3259 56.8914 42.0194 175.8411 18 G 3.6715 7.8366 110.0748 47.1165 0.0000 175.6344 19 E 4.2633 8.9906 124.2816 56.5021 29.6877 175.9084 20 N 4.6458 7.8006 117.1005 52.5482 39.5061 174.5685 21 S 4.6393 8.2859 114.8326 58.3451 65.3283 173.5161 22 C 5.3320 9.3743 117.7574 55.9938 37.0303 172.7843 23 Y 5.5104 8.6460 119.2012 55.3070 41.7629 174.2715 24 R 4.7402 9.0509 119.8297 54.5772 33.6649 173.4507 25 K 5.0975 9.3902 128.3368 54.9000 34.5177 174.9065 26 S 5.3423 9.0324 123.2195 56.5123 67.0894 173.5602 27 R 4.5922 8.6422 119.5926 56.0538 29.8524 176.9710 28 R 4.1272 9.1308 121.4292 58.7827 30.8335 176.8978 29 H 4.8087 7.8356 114.9940 53.4660 30.1392 173.2558 30 P 4.4328 0.0000 0.0000 62.1698 31.7633 174.3246 31 P 4.4130 0.0000 0.0000 62.4630 32.0544 175.7053 32 K 4.5281 8.5348 122.6756 55.7614 32.9037 175.9980 33 M 4.8271 8.3158 121.1580 53.4946 35.1955 174.1784 34 V 4.1748 8.2829 120.8000 62.9900 31.8506 175.7139 35 L 4.3615 9.2649 129.1935 56.5143 43.0008 176.8453 36 G 4.2802 7.6882 103.1642 45.7373 0.0000 172.7053 37 R 4.5748 7.9852 119.5045 54.3152 35.0236 175.7463 38 G 3.9005 6.3938 107.5042 46.4667 0.0000 171.0534 39 C 5.0337 8.7336 117.9538 56.9431 41.8910 172.7475 40 G 3.8023 9.5776 109.1505 45.3378 0.0000 173.0560 41 C 4.9336 8.0390 111.8715 55.3347 44.7448 172.6216 42 P 4.4577 0.0000 0.0000 61.0345 32.2424 175.2900 43 P 4.2872 0.0000 0.0000 62.5606 31.9004 176.8062 44 G 4.0090 8.3184 111.2698 45.1530 0.0000 171.1675 45 D 4.4741 8.4515 116.5690 52.9908 41.4427 175.6635 46 D 4.4604 8.9165 116.9740 57.3316 41.1277 176.8341 47 N 4.6244 9.0053 115.5548 52.8632 40.3011 174.0679 48 L 5.1063 7.6361 117.8278 52.7029 44.8440 175.1540 49 E 4.6140 9.0992 125.6795 54.9052 31.5029 174.8740 50 V 4.7492 8.2871 126.2042 60.9961 33.7961 174.3649 51 K 4.4145 8.9769 130.7134 56.0093 33.5236 174.7789 52 C 5.8091 8.7970 124.0076 55.3930 38.7739 172.1245 53 C 5.2762 9.3236 116.8989 54.3772 44.8965 174.5299 54 T 4.4482 8.5328 107.9412 61.3701 70.0190 173.8247 55 S 4.5996 7.5199 114.7669 56.4833 65.4927 173.6598 56 P 4.5470 0.0000 0.0000 62.3706 32.4096 175.4546 57 D 4.4394 8.3787 117.5723 55.9127 40.8323 176.0629 58 K 3.6354 9.5271 121.9048 57.5992 29.8048 175.6701 59 C 4.5352 8.3757 114.5149 57.4705 41.9317 173.4371 60 N 4.8552 8.0052 117.2215 52.7615 37.2903 174.2721 61 Y 4.2312 7.7548 124.7997 58.5949 38.8068 175.6781 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 T 8.03 4.48 4.23 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 1.25 0.00 0.00 2 M 9.05 4.60 0.00 1.83 1.88 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.68 0.00 3 C 9.63 4.97 0.00 2.76 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 4 Y 8.46 4.90 0.00 3.04 2.86 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 0.00 0.00 0.00 0.00 5 S 8.85 4.71 0.00 3.85 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 6 H 8.86 5.02 0.00 3.42 3.34 0.00 5.50 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.35 4.79 4.28 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 1.25 0.00 0.00 8 T 8.83 4.25 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 1.33 0.00 0.00 9 T 7.14 4.47 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 10 S 7.67 4.38 0.00 4.06 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 11 R 8.29 3.99 0.00 1.84 1.92 0.00 3.21 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 12 A 8.38 4.67 1.23 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 0.00 0.00 13 I 8.73 4.78 1.90 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 1.31 0.77 0.99 0.00 0.00 14 L 8.46 5.07 0.00 1.66 1.57 0.62 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.41 4.58 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 1.23 0.00 0.00 16 N 8.83 4.79 0.00 2.70 2.73 0.00 0.00 7.16 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 17 C 9.27 4.54 0.00 3.12 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.84 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.99 4.26 0.00 1.97 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 0.00 2.28 2.27 0.00 20 N 7.80 4.65 0.00 2.77 2.79 0.00 0.00 6.97 7.55 0.00 0.00 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 S 8.29 4.64 0.00 4.08 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 22 C 9.37 5.33 0.00 2.86 2.99 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 23 Y 8.65 5.51 0.00 3.07 3.19 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 24 R 9.05 4.74 0.00 1.99 1.78 0.00 2.93 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 25 K 9.39 5.10 0.00 2.00 1.96 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.40 7.81 26 S 9.03 5.34 0.00 3.75 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.64 4.59 0.00 1.78 1.91 0.00 3.06 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 28 R 9.13 4.13 0.00 1.45 1.94 0.00 3.11 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 29 H 7.84 4.81 0.00 3.15 3.20 0.00 5.72 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.43 0.00 2.04 2.01 0.00 3.71 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 2.04 2.10 0.00 31 P 0.00 4.41 0.00 2.17 2.06 0.00 3.76 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 1.98 0.00 32 K 8.53 4.53 0.00 1.65 1.78 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.43 7.81 33 M 8.32 4.83 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 34 V 8.28 4.17 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 0.80 0.00 0.00 0.83 0.00 0.00 35 L 9.26 4.36 0.00 1.64 1.71 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.69 4.28 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 0.00 37 R 7.99 4.57 0.00 1.44 1.75 0.00 3.21 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.40 0.00 38 G 6.39 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 39 C 8.73 5.03 0.00 3.03 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 40 G 9.58 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 41 C 8.04 4.93 0.00 2.93 2.96 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 42 P 0.00 4.46 0.00 1.97 1.73 0.00 3.34 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.76 0.00 43 P 0.00 4.29 0.00 2.16 2.06 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 44 G 8.32 4.01 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 0.00 0.00 0.00 45 D 8.45 4.47 0.00 2.85 2.74 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 0.00 0.00 0.00 46 D 8.92 4.46 0.00 2.70 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.01 4.62 0.00 2.69 2.83 0.00 0.00 6.66 6.38 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 48 L 7.64 5.11 0.00 1.85 1.51 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.10 4.61 0.00 2.02 1.79 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 2.25 2.24 0.00 50 V 8.29 4.75 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 0.84 0.00 0.00 0.92 0.00 0.00 51 K 8.98 4.41 0.00 1.90 1.68 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.44 7.81 52 C 8.80 5.81 0.00 2.88 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 53 C 9.32 5.28 0.00 2.96 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 54 T 8.53 4.45 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 55 S 7.52 4.60 0.00 3.96 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 56 P 0.00 4.55 0.00 2.19 2.14 0.00 3.78 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 1.99 1.99 0.00 57 D 8.38 4.44 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.53 3.64 0.00 1.76 1.64 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.70 1.11 7.81 59 C 8.38 4.54 0.00 3.11 3.44 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 0.00 0.00 0.00 60 N 8.01 4.86 0.00 2.88 2.94 0.00 0.00 6.00 7.55 0.00 0.00 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 7.75 4.23 0.00 3.45 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