NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.1183 8.0544 120.3346 61.4600 32.7069 174.1629 7 D 4.7590 8.7691 123.1898 52.4214 42.6885 174.7431 8 C 4.9877 8.4932 124.6740 56.8894 41.7723 175.5954 9 S 4.0379 8.2024 117.2165 60.9074 62.8990 174.5832 10 E 4.3984 8.3518 118.9454 56.4218 29.4874 175.3251 11 Y 4.4027 7.5855 117.1987 55.5387 39.9119 173.7913 12 P 5.3561 0.0000 0.0000 62.1003 32.7695 175.4105 13 K 4.5810 8.9562 116.8223 53.8283 35.4587 176.2767 14 P 4.1586 0.0000 0.0000 64.8941 31.6562 175.8789 15 A 4.7082 7.1627 120.0215 51.3154 22.2624 174.6713 16 C 5.0750 8.3740 116.3731 54.9919 44.0688 174.7341 17 T 4.2620 8.4997 113.3940 62.0575 69.0929 173.5630 18 E 4.7490 8.4539 119.7729 56.0397 30.2114 176.2279 19 E 4.4718 8.1273 115.5924 55.3095 31.4442 174.6787 20 Y 4.8315 8.4270 121.4815 56.4734 39.4915 176.0825 21 R 4.5050 8.2526 127.3695 53.9188 33.0500 172.2944 22 P 4.4526 0.0000 0.0000 62.5814 32.9748 175.4309 23 L 4.8869 8.6527 121.4900 53.0078 45.5972 174.3887 24 C 5.0002 8.8171 123.1627 54.8772 44.6221 173.7757 25 G 4.6939 9.0506 114.2074 45.1318 0.0000 174.6206 26 S 4.4297 8.9883 114.7946 60.1945 63.1516 174.8347 27 D 4.5843 8.1545 119.3958 53.2271 39.4613 176.5005 28 N 4.3578 8.1110 115.8079 53.7763 36.8821 173.5794 29 K 4.2471 8.5050 121.0950 55.0167 33.1946 175.8992 30 T 4.4271 8.2826 123.1802 63.6731 68.8169 173.5105 31 Y 4.3815 9.3019 125.9327 56.6416 39.1928 177.3734 32 G 3.8086 8.8902 113.6187 48.4823 0.0000 172.5557 33 N 5.2281 7.6110 116.7587 51.5661 40.9545 175.2124 34 K 4.1621 8.5239 121.5454 59.6430 32.2291 179.2882 35 C 4.7902 8.2359 119.8879 59.2016 38.5161 175.2212 36 N 4.3486 8.8474 118.2495 56.3175 38.0876 177.0310 37 F 3.5454 8.6723 122.4189 61.6206 39.4137 176.6205 38 C 3.7506 8.4718 116.0388 59.4841 38.2926 175.8480 39 N 4.2881 7.9687 118.2551 56.0236 38.0834 177.2074 40 A 3.8951 7.6236 122.0598 54.9461 18.3344 179.8799 41 V 3.1466 6.8030 116.7563 65.8666 31.4828 178.4365 42 V 3.4871 7.3107 117.4545 66.1198 31.2269 177.5607 43 E 3.8804 8.2121 118.1291 59.1024 29.4879 178.1486 44 S 4.2785 8.0047 111.8226 58.0992 63.3795 173.5618 45 N 4.0748 9.3609 120.3831 54.8481 37.5516 174.4873 46 G 3.9140 8.4422 102.6671 45.2406 0.0000 175.1196 47 T 4.1864 7.6999 110.6928 62.3954 69.7043 175.2463 48 L 4.1328 7.6610 124.2868 54.7628 42.7954 175.2445 49 T 4.8611 9.0292 115.2520 59.4306 72.9166 172.1856 50 L 4.0714 8.4453 123.7053 55.1939 42.1601 175.9341 51 S 4.4933 8.7757 122.6464 60.1899 62.9420 173.3098 52 H 4.4621 7.1149 112.2509 54.7071 31.5343 172.1138 53 F 4.2827 8.5860 117.7165 57.9589 39.6168 176.3749 54 G 3.9677 8.6833 110.4008 44.3617 0.0000 173.3152 55 K 4.1192 8.0780 117.6323 56.3528 32.6032 178.2994 56 C 4.5376 8.9673 119.1566 57.4439 41.0429 173.7233 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 4.12 2.14 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 0.96 0.00 0.00 0.99 0.00 0.00 7 D 8.77 4.76 0.00 2.72 2.62 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 0.00 0.00 0.00 0.00 8 C 8.49 4.99 0.00 2.94 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 9 S 8.20 4.04 0.00 4.05 4.14 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 10 E 8.35 4.40 0.00 1.78 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 2.29 2.42 0.00 11 Y 7.59 4.40 0.00 3.29 2.88 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 12 P 0.00 5.36 0.00 2.21 2.13 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 1.98 2.00 0.00 13 K 8.96 4.58 0.00 1.71 1.58 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.60 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.07 0.95 7.81 14 P 0.00 4.16 0.00 2.17 2.18 0.00 3.73 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 7.16 4.71 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 16 C 8.37 5.07 0.00 2.98 3.02 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 0.00 0.00 0.00 17 T 8.50 4.26 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 1.24 0.00 0.00 18 E 8.45 4.75 0.00 2.00 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 0.00 2.26 2.24 0.00 19 E 8.13 4.47 0.00 2.13 1.99 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 2.28 2.27 0.00 20 Y 8.43 4.83 0.00 2.84 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.50 0.00 1.71 1.73 0.00 3.20 0.00 0.00 3.22 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 22 P 0.00 4.45 0.00 1.92 1.87 0.00 3.33 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.31 0.00 23 L 8.65 4.89 0.00 1.39 1.02 0.45 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.82 5.00 0.00 2.93 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 9.05 4.69 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 0.00 0.00 0.00 26 S 8.99 4.43 0.00 4.01 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 8.15 4.58 0.00 2.85 2.88 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 28 N 8.11 4.36 0.00 2.95 3.03 0.00 0.00 6.79 7.56 0.00 0.00 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 8.50 4.25 0.00 1.66 1.70 0.00 1.41 0.00 0.00 1.06 0.00 0.00 2.38 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.48 1.09 7.81 30 T 8.28 4.43 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 1.25 0.00 0.00 31 Y 9.30 4.38 0.00 3.16 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 32 G 8.89 3.81 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 0.00 0.00 0.00 33 N 7.61 5.23 0.00 3.00 3.09 0.00 0.00 6.37 7.20 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 34 K 8.52 4.16 0.00 1.88 1.90 0.00 1.80 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.57 1.51 7.81 35 C 8.24 4.79 0.00 3.22 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 8.85 4.35 0.00 3.06 3.07 0.00 0.00 6.66 8.67 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 37 F 8.67 3.55 0.00 2.88 2.91 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 38 C 8.47 3.75 0.00 1.60 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 39 N 7.97 4.29 0.00 2.85 2.88 0.00 0.00 6.76 7.99 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 40 A 7.62 3.90 1.04 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 0.00 0.00 41 V 6.80 3.15 1.78 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 0.80 0.00 0.00 0.00 0.00 0.00 42 V 7.31 3.49 2.24 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 0.94 0.00 0.00 0.99 0.00 0.00 43 E 8.21 3.88 0.00 1.95 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 0.00 2.31 2.32 0.00 44 S 8.00 4.28 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 45 N 9.36 4.07 0.00 2.79 2.90 0.00 0.00 7.32 8.64 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 46 G 8.44 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 0.00 0.00 0.00 47 T 7.70 4.19 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 1.22 0.00 0.00 48 L 7.66 4.13 0.00 1.52 1.42 1.05 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 49 T 9.03 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 8.45 4.07 0.00 1.25 1.37 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.78 4.49 0.00 3.89 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 52 H 7.11 4.46 0.00 3.24 3.32 0.00 5.70 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.59 4.28 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 54 G 8.68 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.12 0.00 1.80 1.80 0.00 1.82 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.53 7.81 56 C 8.97 4.54 0.00 2.93 3.02 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 0.00 0.00 0.00