NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4800 8.3193 116.7948 58.9090 64.2910 172.5691 5 S 4.3687 7.9663 114.8995 55.5870 64.9702 169.5090 6 V 4.2356 8.6568 123.3745 61.7165 33.0849 177.2414 7 K 4.7558 9.0513 129.0528 52.9252 35.7550 171.6145 8 R 4.5121 8.5579 121.3916 56.1761 30.2906 176.9375 9 W 4.7977 9.6025 135.0000 55.8679 31.1185 178.2806 10 G 3.9049 8.8552 115.8540 46.4710 0.0000 171.4892 11 N 4.6904 9.2741 118.5902 53.5476 39.9983 173.2451 12 S 4.6392 7.4402 110.7955 57.1349 67.2949 171.8983 13 P 4.9857 0.0000 0.0000 62.9961 31.9337 175.6178 14 A 4.8448 9.2952 123.5434 50.8454 23.3460 175.2587 15 V 4.6154 8.2848 118.9454 61.0408 33.9531 175.6227 16 R 4.1142 8.7574 127.1696 55.9183 30.8050 175.9203 17 I 4.3196 8.0492 123.0789 58.5821 38.3955 173.9940 18 P 4.2635 0.0000 0.0000 62.6858 31.8401 176.8830 19 A 3.9985 8.9004 122.8949 56.0529 17.9953 180.2889 20 T 3.8844 7.8497 107.4018 64.8920 68.8826 176.6713 21 L 4.0130 8.0941 121.8286 57.5426 41.6458 179.2324 22 M 4.0587 7.9621 118.3824 58.5360 32.0076 178.6430 23 Q 3.9979 8.1880 117.9611 58.8218 28.6537 178.4208 24 A 4.0580 7.9817 121.0446 54.6858 18.4267 178.7533 25 L 4.4631 7.6415 114.0030 53.3041 42.3482 176.1931 26 N 4.1931 7.8884 114.9801 54.1231 36.8262 174.3002 27 L 4.6606 8.2414 116.4200 53.8722 43.3754 176.4424 28 N 5.1260 9.9831 119.5676 50.9359 42.5571 174.2594 29 I 3.8593 8.1497 120.6682 63.4582 37.5477 176.5619 30 D 4.7677 8.8786 121.7758 54.4471 38.6027 174.3606 31 D 4.5736 7.7390 119.7927 53.9450 41.5558 176.0244 32 E 4.3725 8.5696 122.7641 56.4827 30.9058 176.0706 33 V 4.7704 8.2122 114.6973 59.7026 36.5128 174.6950 34 K 4.5859 9.3104 121.8898 54.9303 34.1401 175.5347 35 I 4.9294 8.1879 125.7439 60.0448 39.4998 174.2953 36 D 4.5057 8.7527 124.3832 53.7409 45.6228 173.1954 37 L 5.1344 8.4867 121.8933 53.2687 44.0167 175.7658 38 V 4.3092 8.3786 126.3723 62.1077 33.9257 175.1515 39 D 4.2290 9.7335 126.8104 55.5956 38.1976 174.5751 40 G 3.9483 8.5537 103.8350 45.7289 0.0000 174.1217 41 K 4.6271 7.6899 118.5433 53.8562 35.1477 174.9209 42 L 4.6692 8.3988 124.1789 54.9049 42.9287 175.8023 43 I 4.6100 9.1384 127.1949 59.5193 40.2490 174.5934 44 I 4.9431 8.3859 126.3818 59.5332 39.8864 174.4708 45 E 4.7162 9.0919 127.8891 53.4264 32.9032 173.2292 46 P 4.6640 0.0000 0.0000 62.8293 32.4382 176.7001 47 V 3.9227 7.9057 115.0735 61.7217 31.1896 176.2052 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 4 S 8.32 4.48 0.00 3.88 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 7.97 4.37 0.00 4.01 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.66 4.24 2.10 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 0.70 0.00 0.00 0.99 0.00 0.00 7 K 9.05 4.76 0.00 1.41 1.68 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.21 7.81 8 R 8.56 4.51 0.00 1.86 1.93 0.00 3.20 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 9 W 9.60 4.80 0.00 3.32 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 10 G 8.86 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 11 N 9.27 4.69 0.00 2.62 2.73 0.00 0.00 6.68 7.63 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 12 S 7.44 4.64 0.00 3.73 3.59 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 13 P 0.00 4.99 0.00 1.95 2.00 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 14 A 9.30 4.84 1.55 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 0.00 0.00 15 V 8.28 4.62 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.96 0.00 0.00 16 R 8.76 4.11 0.00 1.81 1.79 0.00 3.12 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 1.52 1.59 0.00 17 I 8.05 4.32 1.87 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 1.49 0.84 0.92 0.00 0.00 18 P 0.00 4.26 0.00 2.20 2.18 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 19 A 8.90 4.00 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 20 T 7.85 3.88 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 21 L 8.09 4.01 0.00 1.89 1.75 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 22 M 7.96 4.06 0.00 2.02 2.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.70 0.00 23 Q 8.19 4.00 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 24 A 7.98 4.06 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 25 L 7.64 4.46 0.00 1.65 1.69 0.93 1.14 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 26 N 7.89 4.19 0.00 2.84 2.87 0.00 0.00 6.87 7.18 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 27 L 8.24 4.66 0.00 1.58 1.59 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 28 N 9.98 5.13 0.00 2.76 2.65 0.00 0.00 6.95 7.26 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 29 I 8.15 3.86 1.89 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 1.42 0.74 0.95 0.00 0.00 30 D 8.88 4.77 0.00 2.87 2.90 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 31 D 7.74 4.57 0.00 2.76 2.61 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 32 E 8.57 4.37 0.00 2.02 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 0.00 2.39 1.91 0.00 33 V 8.21 4.77 2.17 0.00 0.00 0.00 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 0.95 0.00 0.00 34 K 9.31 4.59 0.00 1.74 1.70 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.25 7.81 35 I 8.19 4.93 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 1.24 0.56 0.97 0.00 0.00 36 D 8.75 4.51 0.00 2.76 2.48 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 37 L 8.49 5.13 0.00 1.63 1.53 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.38 4.31 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 0.95 0.00 0.00 0.93 0.00 0.00 39 D 9.73 4.23 0.00 2.86 2.73 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 40 G 8.55 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 41 K 7.69 4.63 0.00 1.92 1.67 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.53 7.81 42 L 8.40 4.67 0.00 1.66 1.58 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 43 I 9.14 4.61 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 1.37 0.82 0.92 0.00 0.00 44 I 8.39 4.94 1.88 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 1.24 0.62 0.93 0.00 0.00 45 E 9.09 4.72 0.00 1.99 1.73 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 2.19 2.26 0.00 46 P 0.00 4.66 0.00 1.98 1.98 0.00 3.73 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 2.03 2.13 0.00 47 V 7.91 3.92 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 0.61 0.00 0.00 0.96 0.00 0.00