NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6483 8.3493 120.3221 53.2917 40.7577 173.9029 2 S 4.4669 8.3696 114.4849 56.1661 64.8956 172.0374 3 I 4.2533 8.7629 125.8757 60.5393 39.4565 175.9587 4 T 5.0152 8.4470 122.3717 61.9296 70.7051 172.7285 5 Y 4.8958 8.7022 125.2226 55.0878 41.0043 174.9648 6 R 4.6115 8.6873 122.0705 55.3014 31.5345 176.2196 7 V 4.1555 8.9003 125.6732 63.0431 32.3908 175.3600 8 R 4.9094 8.5531 126.9397 53.9315 33.1212 176.1972 9 K 4.0475 8.5330 120.0990 58.4847 32.4084 177.7538 10 G 4.0008 9.0002 111.2563 45.3185 0.0000 172.9969 11 D 4.6899 8.1819 120.2908 53.5336 41.9259 176.6278 12 S 4.8922 8.2286 119.4526 56.3919 66.7260 175.0033 13 L 4.2294 8.7036 126.1426 57.5285 41.5297 180.1106 14 S 4.1054 7.9825 113.2718 61.6381 62.7864 176.0603 15 S 4.0467 7.9968 115.2925 60.9993 62.3790 175.7202 16 I 3.5561 8.2468 122.5430 64.1437 36.7372 177.9690 17 A 4.0674 7.7961 121.5599 55.3618 18.1922 179.3284 18 K 3.7871 8.0040 117.8200 59.9468 31.8785 178.6448 19 R 3.8669 7.6550 117.7916 58.7068 29.8370 176.6615 20 H 4.7506 7.8928 113.3288 54.3309 29.9268 174.0843 21 G 3.9923 7.7876 107.1020 47.2421 0.0000 172.5293 22 V 4.7828 7.2151 108.0634 58.6302 35.6388 176.2105 23 N 4.7964 8.3380 118.0982 51.6677 38.0279 175.8141 24 I 3.9581 8.2838 125.7779 63.9778 36.9132 178.0694 25 K 3.9446 7.9163 118.7488 60.0615 32.6162 178.4409 26 D 3.7670 8.2362 120.5088 56.5930 40.6169 178.7671 27 V 4.0204 7.4624 118.1950 66.5545 31.3972 177.6505 28 M 4.2269 8.0653 116.4194 57.2035 31.8505 178.3386 29 R 3.8312 7.3650 119.4385 58.9346 30.2809 177.8814 30 W 4.5287 7.2986 116.9171 57.9038 29.8478 176.4306 31 N 4.9094 7.9966 115.7792 52.3964 39.0941 175.1552 32 S 4.6381 8.6536 117.1786 58.7408 64.2383 174.1872 33 D 4.7750 7.7077 120.0563 52.6376 41.3754 175.0448 34 T 4.3610 8.1175 111.7849 61.5282 69.0630 177.0451 35 A 4.1796 7.5135 124.2707 54.5586 18.2793 178.7339 36 N 4.6758 7.9094 112.0028 53.5762 39.0689 176.5639 37 L 4.2840 7.6446 120.4651 53.8996 39.8391 175.9201 38 Q 4.6610 7.5360 121.2106 52.8515 31.7886 174.2213 39 P 5.1598 0.0000 0.0000 62.9393 29.0406 174.6795 40 G 3.5693 8.4883 114.0595 45.5925 0.0000 170.5817 41 D 5.0548 8.1938 120.8555 51.8850 43.7376 175.9563 42 K 4.5091 8.3744 123.2325 56.5856 34.4187 175.9327 43 L 4.5885 8.1031 119.9297 53.1279 46.1540 175.9343 44 T 4.1889 8.5502 120.3032 62.8533 68.5704 175.2018 45 L 5.0079 8.4553 128.1846 53.5880 40.5671 178.1841 46 F 4.1085 8.0226 117.6323 60.0350 39.4090 177.0708 47 V 4.1248 7.4605 111.8591 61.8571 32.1928 176.3417 48 K 4.2637 8.8441 120.9159 56.6813 32.1926 176.5172 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 8.35 4.65 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.37 4.47 0.00 3.34 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.76 4.25 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.76 0.84 0.00 0.00 4 T 8.45 5.02 4.19 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 1.11 0.00 0.00 5 Y 8.70 4.90 0.00 3.04 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 6 R 8.69 4.61 0.00 1.76 1.92 0.00 3.46 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 7 V 8.90 4.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.66 0.00 0.00 8 R 8.55 4.91 0.00 1.91 1.84 0.00 3.21 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 9 K 8.53 4.05 0.00 1.75 1.78 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.47 7.81 10 G 9.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.18 4.69 0.00 2.94 2.67 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 12 S 8.23 4.89 0.00 3.84 3.74 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 13 L 8.70 4.23 0.00 1.70 1.80 1.14 1.12 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 14 S 7.98 4.11 0.00 4.04 4.12 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 15 S 8.00 4.05 0.00 3.85 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 16 I 8.25 3.56 1.70 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.23 -0.52 0.00 0.00 17 A 7.80 4.07 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 3.79 0.00 1.81 1.94 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 19 R 7.66 3.87 0.00 1.64 1.42 0.00 3.17 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 20 H 7.89 4.75 0.00 3.12 3.27 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.79 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 V 7.22 4.78 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 1.22 0.00 0.00 1.06 0.00 0.00 23 N 8.34 4.80 0.00 2.92 2.85 0.00 0.00 6.80 7.45 0.00 0.00 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 I 8.28 3.96 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.03 0.94 0.00 0.00 25 K 7.92 3.94 0.00 1.81 1.89 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.42 7.81 26 D 8.24 3.77 0.00 2.54 1.76 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.46 4.02 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 1.29 0.00 0.00 28 M 8.07 4.23 0.00 1.95 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 29 R 7.37 3.83 0.00 1.42 0.95 0.00 2.77 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.00 30 W 7.30 4.53 0.00 3.72 3.26 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 0.00 31 N 8.00 4.91 0.00 2.91 2.80 0.00 0.00 7.51 7.24 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 32 S 8.65 4.64 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 33 D 7.71 4.77 0.00 2.66 2.56 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 0.00 0.00 0.00 0.00 34 T 8.12 4.36 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 1.24 0.00 0.00 35 A 7.51 4.18 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.68 0.00 2.69 3.01 0.00 0.00 7.00 7.85 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 37 L 7.64 4.28 0.00 1.73 1.67 0.92 0.80 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 38 Q 7.54 4.66 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 7.13 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 39 P 0.00 5.16 0.00 2.18 2.11 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 40 G 8.49 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.19 5.05 0.00 2.95 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.37 4.51 0.00 1.69 1.70 0.00 1.50 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.27 1.34 7.81 43 L 8.10 4.59 0.00 0.27 1.08 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.55 4.19 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 45 L 8.46 5.01 0.00 1.50 1.58 0.74 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.02 4.11 0.00 1.51 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.46 4.12 2.34 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 0.97 0.00 0.00 1.12 0.00 0.00 48 K 8.84 4.26 0.00 1.95 1.75 0.00 1.82 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.52 7.81