NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6519 8.3649 120.1988 54.6594 42.8284 175.8773 2 R 5.3814 7.9940 121.2636 54.6780 31.6207 173.4079 3 I 3.9171 8.0337 120.8841 60.5587 40.0871 174.3329 4 A 4.4507 8.3707 129.6932 51.7943 19.8213 176.6171 5 T 4.2359 7.9911 115.2449 62.7304 72.7493 170.7383 6 N 4.9900 7.9892 115.7197 52.0780 40.7332 176.2334 7 C 3.8496 8.8867 116.7242 60.4157 40.5457 177.1800 8 C 4.0736 8.2497 117.3416 59.5959 43.3155 174.5954 9 A 3.8904 8.5751 121.5506 54.5125 18.1401 178.4505 10 G 3.5350 8.0384 106.5870 45.1371 0.0000 173.2316 11 T 4.0591 8.7943 121.1189 63.1849 68.9448 173.5227 12 K 4.2994 8.5332 128.4941 57.7612 32.5485 175.1337 13 G 4.0944 9.0877 118.9676 46.3660 0.0000 173.7804 14 C 4.7319 8.5605 119.5559 56.4272 40.0087 173.3890 15 K 5.0894 9.3061 124.8005 56.4839 33.6241 175.2793 16 Y 5.2097 9.4870 124.5415 56.8719 39.6168 175.0417 17 F 5.3203 9.7292 123.1112 55.5427 42.7107 175.5037 18 S 4.9552 8.9577 117.2685 57.6641 63.9220 174.9974 19 D 4.3651 8.9391 120.2300 56.1924 39.2697 178.6332 20 D 4.3080 7.9917 118.8069 55.5454 39.5560 176.5049 21 G 3.9860 7.4817 105.6405 45.6287 0.0000 174.1090 22 T 4.4644 9.0402 117.9792 62.1741 69.6341 173.9840 23 F 3.6529 8.5668 126.8099 58.3508 39.8923 174.6147 24 V 3.8084 7.7593 129.2050 63.3586 31.9441 173.4321 25 C 4.4142 6.6635 111.8267 53.8501 41.8598 172.6983 26 E 5.5622 7.8352 118.6070 56.4588 30.0830 177.1497 27 G 4.2319 9.2085 108.8549 46.7124 0.0000 174.4261 28 E 4.6291 8.3211 113.7325 56.2920 30.4258 176.9636 29 S 4.3916 7.3746 114.6053 57.8744 61.2334 173.1651 30 D 4.3715 7.7628 122.9601 54.5818 41.7146 175.1216 31 P 4.3695 0.0000 0.0000 64.9640 31.7770 177.8102 32 R 4.0819 8.5391 119.0983 58.1856 30.1816 176.4086 33 N 4.9275 7.7991 113.6609 50.3535 39.6937 173.1073 34 P 4.4632 0.0000 0.0000 61.6408 29.9290 174.9276 35 K 4.0389 8.1329 123.3656 55.2227 33.0228 176.4601 36 A 4.0815 8.4634 129.0838 52.3436 18.4473 177.5084 37 C 4.6430 8.5021 120.9074 55.3017 41.5407 172.3186 38 P 4.4451 0.0000 0.0000 63.1126 31.5689 176.5932 39 R 4.3770 8.2619 121.1152 55.6200 30.2968 175.9886 40 N 4.7443 7.6790 112.9785 52.5493 42.0191 172.7790 41 A 4.5585 8.2610 126.7990 50.5970 20.8281 176.6712 42 D 4.5499 8.8509 122.9250 53.2525 41.0769 176.2232 43 P 4.3753 0.0000 0.0000 64.8952 31.8543 177.8659 44 R 4.2124 7.8390 118.0588 58.3853 30.3089 176.0444 45 I 4.0099 7.5252 119.2085 61.9234 37.0842 175.8557 46 A 4.5030 9.1714 130.1587 53.3869 20.2063 176.2003 47 Y 4.9880 7.0451 110.6576 56.3245 41.1621 173.1234 48 G 3.4810 8.6361 107.4013 44.2851 0.0000 172.2038 49 I 4.2543 8.8751 128.4264 60.3897 38.5494 174.5286 50 C 4.8922 8.6141 125.5192 55.2420 41.0772 171.9895 51 P 4.5367 0.0000 0.0000 62.2670 31.6257 176.6179 52 L 4.1956 8.4810 122.4732 56.7110 42.3148 176.7383 53 A 4.1195 7.6709 125.3859 52.7554 18.8646 175.7437 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 D 8.36 4.65 0.00 2.62 2.69 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 0.00 0.00 0.00 0.00 2 R 7.99 5.38 0.00 1.92 1.85 0.00 3.57 0.00 0.00 3.90 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 3 I 8.03 3.92 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.82 1.11 0.00 0.00 4 A 8.37 4.45 1.25 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 0.00 0.00 0.00 5 T 7.99 4.24 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 1.23 0.00 0.00 6 N 7.99 4.99 0.00 2.74 2.78 0.00 0.00 6.16 7.75 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 7 C 8.89 3.85 0.00 2.89 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 8 C 8.25 4.07 0.00 2.99 3.25 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 0.00 9 A 8.58 3.89 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 10 G 8.04 3.53 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 11 T 8.79 4.06 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 1.27 0.00 0.00 12 K 8.53 4.30 0.00 1.74 1.78 0.00 1.92 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.49 7.81 13 G 9.09 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 0.00 0.00 0.00 14 C 8.56 4.73 0.00 3.22 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 15 K 9.31 5.09 0.00 2.08 2.09 0.00 1.38 0.00 0.00 1.78 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.80 1.81 7.81 16 Y 9.49 5.21 0.00 3.07 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 17 F 9.73 5.32 0.00 2.56 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 18 S 8.96 4.96 0.00 3.90 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 19 D 8.94 4.37 0.00 2.84 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 20 D 7.99 4.31 0.00 2.80 2.85 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 21 G 7.48 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 22 T 9.04 4.46 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 1.24 0.00 0.00 23 F 8.57 3.65 0.00 2.29 2.75 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 24 V 7.76 3.81 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 0.74 0.00 0.00 0.84 0.00 0.00 25 C 6.66 4.41 0.00 2.81 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 26 E 7.84 5.56 0.00 2.25 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 2.44 2.24 0.00 27 G 9.21 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 0.00 0.00 0.00 0.00 28 E 8.32 4.63 0.00 2.05 1.94 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 2.23 2.19 0.00 29 S 7.37 4.39 0.00 3.95 4.13 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 30 D 7.76 4.37 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.09 2.11 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 32 R 8.54 4.08 0.00 1.76 2.36 0.00 3.37 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 1.64 1.71 0.00 33 N 7.80 4.93 0.00 2.80 2.73 0.00 0.00 7.40 7.62 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 34 P 0.00 4.46 0.00 2.06 2.07 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 35 K 8.13 4.04 0.00 1.70 1.68 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.42 7.81 36 A 8.46 4.08 1.24 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 0.00 0.00 0.00 37 C 8.50 4.64 0.00 2.95 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 38 P 0.00 4.45 0.00 2.00 1.96 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 39 R 8.26 4.38 0.00 1.79 1.93 0.00 3.40 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 40 N 7.68 4.74 0.00 2.62 2.61 0.00 0.00 7.13 7.96 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 41 A 8.26 4.56 1.25 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 0.00 0.00 0.00 42 D 8.85 4.55 0.00 2.82 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.38 0.00 2.03 2.11 0.00 3.66 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 2.02 2.06 0.00 44 R 7.84 4.21 0.00 1.81 1.88 0.00 3.17 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 45 I 7.53 4.01 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.95 1.11 0.00 0.00 46 A 9.17 4.50 0.94 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 47 Y 7.05 4.99 0.00 2.96 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.64 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.88 4.25 1.89 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.79 0.85 0.00 0.00 50 C 8.61 4.89 0.00 2.84 3.03 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 0.00 0.00 0.00 0.00 51 P 0.00 4.54 0.00 2.05 1.99 0.00 3.69 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 2.10 2.12 0.00 52 L 8.48 4.20 0.00 1.62 1.72 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.67 4.12 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00