NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0763 8.0544 120.4176 62.7698 32.4250 174.1112 7 D 4.7302 8.7992 127.0961 52.5401 42.7927 174.7507 8 C 4.8573 8.5216 122.9030 56.6353 41.6933 175.1369 9 S 4.0108 8.3316 116.3128 61.4188 62.4677 174.8847 10 E 4.3491 8.3495 118.1399 56.4919 29.0056 175.2381 11 Y 4.4745 7.9913 117.8896 55.1799 40.5996 173.4502 12 P 4.8894 0.0000 0.0000 62.3509 31.2973 175.5077 13 K 4.5708 9.0750 118.3218 53.6592 34.5598 176.2280 14 P 4.4224 0.0000 0.0000 65.0515 31.5941 176.1958 15 A 4.7743 7.3134 119.8345 50.6678 22.2500 174.4742 16 C 5.1062 8.4431 116.9351 54.9924 43.7772 174.5200 17 T 4.3258 8.4079 113.2302 61.7829 69.3726 173.9497 18 R 4.7224 8.1534 118.9120 55.6899 30.9214 176.2473 19 E 4.3043 8.2577 114.7458 55.8678 30.9488 175.0862 20 Y 4.8453 8.3964 120.5954 56.3371 39.7111 175.9045 21 R 4.5614 8.5212 127.7005 53.7158 32.5225 172.7250 22 P 4.5816 0.0000 0.0000 62.6374 33.1004 175.6270 23 L 4.9329 8.8514 120.6528 53.1063 46.2724 174.5248 24 C 4.9554 8.7409 122.7742 54.9423 46.5812 173.6783 25 G 4.6507 9.0054 114.3051 45.2267 0.0000 174.5074 26 S 4.4065 9.0795 115.2883 60.0293 63.0498 174.6998 27 D 4.6623 8.1322 119.8888 52.9000 39.3554 176.2693 28 N 4.2310 8.1528 114.7112 54.1432 36.9969 173.4223 29 K 4.4282 8.1217 120.4716 55.2802 34.1138 175.5822 30 T 4.6970 8.3135 123.9666 63.4522 69.3799 173.4874 31 Y 4.3440 9.3013 125.2510 56.2316 39.4485 177.4581 32 G 3.6788 9.0364 113.2858 48.5703 0.0000 172.4581 33 N 5.3230 7.6507 116.9354 51.4533 41.0352 175.1046 34 K 3.9708 8.5558 120.9190 59.7532 32.1750 179.0701 35 C 4.5679 8.2109 119.6414 59.2451 43.0254 175.0833 36 N 4.3663 8.9564 118.5103 56.2308 38.1609 177.0385 37 F 3.4914 8.3282 121.8972 61.5528 39.5290 176.5997 38 C 3.6993 8.2378 116.3111 59.7578 38.5321 175.9676 39 N 4.2682 8.0648 117.9523 56.1295 38.1123 177.3274 40 A 3.8839 7.7615 122.3031 54.8877 18.3961 179.8065 41 V 3.1613 7.0558 116.7727 65.9583 31.4327 178.4636 42 V 3.5034 7.5577 117.8942 66.0295 31.1863 177.6237 43 E 3.9168 8.2680 118.3772 58.7556 29.4502 177.9033 44 S 4.4039 7.9094 112.5692 57.3177 63.3260 173.5817 45 N 3.8669 8.9989 119.8795 55.1364 37.4913 174.7037 46 G 3.8855 8.2224 102.2500 45.8147 0.0000 175.2949 47 T 4.1384 7.4109 110.8663 62.6369 69.5591 175.1811 48 L 4.2212 7.6169 124.4338 54.6007 42.7909 175.3684 49 T 4.8576 8.5559 114.6731 59.5943 73.0696 172.2141 50 L 4.1686 8.4383 124.0616 54.8885 42.0861 176.1062 51 S 4.3720 8.9611 122.9042 60.6058 62.7558 173.3309 52 H 4.4186 7.1820 112.2190 54.8855 31.2232 172.6178 53 F 4.3421 8.7209 117.7656 57.8556 39.6374 176.4782 54 G 3.9525 8.4297 110.3916 44.2889 0.0000 173.3379 55 K 4.1918 8.0706 117.2083 56.6284 33.2532 177.7915 56 C 4.5063 8.7785 117.3970 57.4958 41.0662 173.7419 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 6 V 8.05 4.08 2.06 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 1.03 0.00 0.00 1.06 0.00 0.00 7 D 8.80 4.73 0.00 2.76 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 8 C 8.52 4.86 0.00 2.93 2.87 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 9 S 8.33 4.01 0.00 4.01 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 10 E 8.35 4.35 0.00 2.03 1.88 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 2.28 2.34 0.00 11 Y 7.99 4.47 0.00 3.21 2.87 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 12 P 0.00 4.89 0.00 2.22 2.11 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 13 K 9.07 4.57 0.00 1.72 1.62 0.00 0.81 0.00 0.00 1.44 0.00 0.00 2.54 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.05 0.68 7.81 14 P 0.00 4.42 0.00 2.17 2.18 0.00 3.69 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 1.97 1.94 0.00 15 A 7.31 4.77 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 16 C 8.44 5.11 0.00 2.99 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 17 T 8.41 4.33 4.31 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 1.24 0.00 0.00 18 R 8.15 4.72 0.00 1.79 1.98 0.00 3.41 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 19 E 8.26 4.30 0.00 2.13 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 2.31 2.27 0.00 20 Y 8.40 4.85 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 21 R 8.52 4.56 0.00 1.67 1.72 0.00 3.19 0.00 0.00 3.22 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 22 P 0.00 4.58 0.00 1.96 1.67 0.00 3.32 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.64 0.00 23 L 8.85 4.93 0.00 1.32 1.04 0.55 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.74 4.96 0.00 2.88 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 25 G 9.01 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 26 S 9.08 4.41 0.00 4.00 4.03 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 27 D 8.13 4.66 0.00 2.84 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 28 N 8.15 4.23 0.00 2.92 2.98 0.00 0.00 6.75 7.23 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 29 K 8.12 4.43 0.00 1.76 1.67 0.00 1.44 0.00 0.00 1.02 0.00 0.00 2.46 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.63 1.14 7.81 30 T 8.31 4.70 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 1.29 0.00 0.00 31 Y 9.30 4.34 0.00 3.07 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 32 G 9.04 3.68 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 0.00 0.00 0.00 33 N 7.65 5.32 0.00 3.00 3.08 0.00 0.00 6.37 7.10 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 34 K 8.56 3.97 0.00 1.89 1.92 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.15 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.56 1.55 7.81 35 C 8.21 4.57 0.00 3.21 3.34 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 36 N 8.96 4.37 0.00 3.10 3.08 0.00 0.00 6.69 7.82 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 37 F 8.33 3.49 0.00 3.03 3.09 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 38 C 8.24 3.70 0.00 1.45 1.64 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 39 N 8.06 4.27 0.00 2.87 2.88 0.00 0.00 6.85 7.19 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 40 A 7.76 3.88 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.06 3.16 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 0.83 0.00 0.00 0.01 0.00 0.00 42 V 7.56 3.50 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 1.02 0.00 0.00 1.01 0.00 0.00 43 E 8.27 3.92 0.00 2.03 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 0.00 2.31 2.31 0.00 44 S 7.91 4.40 0.00 4.05 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 45 N 9.00 3.87 0.00 2.81 2.88 0.00 0.00 7.16 8.82 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 46 G 8.22 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.41 4.14 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 1.23 0.00 0.00 48 L 7.62 4.22 0.00 1.52 1.37 1.05 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.56 4.86 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 1.21 0.00 0.00 50 L 8.44 4.17 0.00 1.32 1.41 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.96 4.37 0.00 3.87 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 52 H 7.18 4.42 0.00 3.20 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.72 4.34 0.00 3.08 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 54 G 8.43 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 55 K 8.07 4.19 0.00 1.93 1.90 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.51 7.81 56 C 8.78 4.51 0.00 2.98 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