NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.0672 8.0544 120.3927 62.8743 33.0609 173.7370 6 R 4.3763 7.5057 124.0039 55.0522 32.0752 172.3972 7 I 2.8252 9.0004 114.4216 63.0825 39.3453 174.9101 8 K 3.8679 9.4187 112.2378 57.2570 32.4886 175.8591 9 L 4.0312 8.5086 118.4382 54.8633 40.4765 172.6329 10 L 4.6011 7.4253 117.4424 55.4031 44.4461 173.6287 11 L 5.0339 8.0784 126.4939 52.8274 45.3909 175.3521 12 E 4.9299 8.1791 115.2243 55.1375 33.1940 174.9609 13 C 5.7890 8.9648 119.8769 60.2092 31.6372 172.1528 14 T 5.0773 8.4938 124.8852 62.8363 70.3898 172.0234 15 E 4.1561 7.2999 123.4866 57.1831 28.8914 179.1222 16 C 4.7392 8.7134 125.4236 60.5898 36.2634 173.1469 17 K 4.4269 7.8119 118.8805 56.3002 34.6382 174.9417 18 R 4.0011 8.8822 125.1608 54.7853 29.0225 175.7506 19 R 3.3279 7.8303 112.4403 57.5347 28.8153 173.4733 20 N 4.5476 8.3436 121.3767 53.3188 41.6538 174.1827 21 Y 5.0046 8.5220 114.3617 57.2458 37.4602 168.5966 22 A 5.1525 8.4789 121.8943 50.1135 22.7780 175.0874 23 T 4.1669 8.8545 112.3292 62.6339 68.7195 172.7081 24 E 4.5156 8.1533 131.5891 56.4638 33.4219 175.0019 25 K 4.3254 7.7058 119.9393 57.1914 35.9171 174.5346 26 N 5.0583 8.5997 121.9967 52.1837 42.5793 174.3957 27 K 5.3635 8.1628 120.3821 53.3263 32.7183 174.9925 28 R 4.6467 7.9922 116.2469 55.4745 34.8795 175.4334 29 N 4.7065 8.1258 114.9519 52.5793 38.2882 174.6300 30 T 4.0863 7.4609 107.8441 60.8971 69.2207 170.3747 31 P 4.3885 0.0000 0.0000 63.5700 31.8058 175.9933 32 N 5.3102 8.2578 114.0044 54.0963 42.7749 176.9341 33 K 4.3437 7.8442 120.3765 56.0133 32.1702 176.6626 34 L 4.2735 8.6684 113.4034 57.8766 40.4929 177.1622 35 E 3.8051 7.6096 118.1145 55.5067 28.9835 175.6404 36 L 4.9230 8.0569 123.1300 54.3407 43.7097 174.5387 37 R 4.7314 8.1101 117.9618 54.6213 34.0692 174.1645 38 K 4.7143 8.3634 122.7403 54.7373 33.0821 174.3119 39 Y 4.8065 8.3438 128.2453 56.1791 40.9949 173.4143 40 C 5.2632 8.7087 115.1320 56.2293 31.8501 172.0585 41 P 4.4798 0.0000 0.0000 62.8527 31.5492 175.6052 42 W 5.0676 7.9355 115.9754 56.4934 29.0468 177.2505 43 C 4.7519 7.9025 110.1227 57.9657 28.6955 174.3133 44 R 4.5371 7.6739 118.8601 53.6077 37.7400 174.9477 45 K 4.0691 8.9176 122.0578 57.7167 31.8332 172.1536 46 H 4.2774 9.2899 128.8977 55.6238 27.1175 173.8960 47 T 4.6384 8.5537 120.3685 63.3821 70.7092 174.5541 48 V 4.3634 8.5821 126.3792 62.2913 40.3000 169.3012 49 H 4.2928 8.2024 126.4264 54.4479 28.8264 174.2231 50 R 5.0311 8.8558 124.2931 54.4461 33.7603 174.1362 51 E 4.9491 8.3775 119.8933 55.5511 30.6148 176.4119 52 V 4.0243 8.1765 119.8420 62.2658 35.0516 172.4476 53 K 4.0968 8.8554 121.4667 57.1403 32.2136 174.7472 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 5 V 8.05 4.07 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 6 R 7.51 4.38 0.00 1.86 1.75 0.00 3.48 0.00 0.00 3.19 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 7 I 9.00 2.83 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 1.47 0.60 0.91 0.00 0.00 8 K 9.42 3.87 0.00 2.13 2.10 0.00 1.87 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.44 7.81 9 L 8.51 4.03 0.00 1.80 2.04 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.43 4.60 0.00 1.60 1.54 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.08 5.03 0.00 1.56 1.49 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.18 4.93 0.00 1.98 2.02 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 2.19 2.25 0.00 13 C 8.96 5.79 0.00 3.04 2.93 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 0.00 0.00 0.00 14 T 8.49 5.08 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 1.11 0.00 0.00 15 E 7.30 4.16 0.00 1.84 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 2.22 1.91 0.00 16 C 8.71 4.74 0.00 2.85 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 17 K 7.81 4.43 0.00 1.68 1.57 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.71 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.39 7.81 18 R 8.88 4.00 0.00 1.78 2.25 0.00 3.51 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.40 0.00 19 R 7.83 3.33 0.00 1.81 1.73 0.00 3.32 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 20 N 8.34 4.55 0.00 2.00 2.22 0.00 0.00 6.54 7.55 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 21 Y 8.52 5.00 0.00 3.00 3.31 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 22 A 8.48 5.15 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.85 4.17 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 1.21 0.00 0.00 24 E 8.15 4.52 0.00 1.81 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 2.09 2.24 0.00 25 K 7.71 4.33 0.00 1.71 1.61 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.22 1.22 7.81 26 N 8.60 5.06 0.00 2.63 2.59 0.00 0.00 6.81 6.68 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 27 K 8.16 5.36 0.00 1.72 1.68 0.00 1.87 0.00 0.00 2.36 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.39 7.81 28 R 7.99 4.65 0.00 2.02 1.96 0.00 3.29 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 29 N 8.13 4.71 0.00 2.78 2.90 0.00 0.00 5.84 7.71 0.00 0.00 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 T 7.46 4.09 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 31 P 0.00 4.39 0.00 2.08 2.00 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 32 N 8.26 5.31 0.00 2.76 2.87 0.00 0.00 6.34 7.13 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 33 K 7.84 4.34 0.00 1.72 1.72 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.49 7.81 34 L 8.67 4.27 0.00 1.79 1.73 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.61 3.81 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.34 0.00 36 L 8.06 4.92 0.00 1.86 1.74 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.11 4.73 0.00 2.00 2.20 0.00 3.36 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 38 K 8.36 4.71 0.00 1.75 1.58 0.00 1.55 0.00 0.00 0.61 0.00 0.00 2.64 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 1.25 7.81 39 Y 8.34 4.81 0.00 2.86 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.71 5.26 0.00 3.19 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 41 P 0.00 4.48 0.00 2.15 2.39 0.00 3.91 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 42 W 7.94 5.07 0.00 3.42 3.06 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 0.00 0.00 0.00 43 C 7.90 4.75 0.00 3.06 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 44 R 7.67 4.54 0.00 1.80 1.79 0.00 3.34 0.00 0.00 3.20 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 45 K 8.92 4.07 0.00 1.84 2.19 0.00 1.97 0.00 0.00 1.96 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.31 7.81 46 H 9.29 4.28 0.00 3.29 3.44 0.00 5.84 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.55 4.64 4.32 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 0.00 0.00 0.00 1.21 0.00 0.00 48 V 8.58 4.36 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 0.74 0.00 0.00 0.96 0.00 0.00 49 H 8.20 4.29 0.00 3.58 3.48 0.00 5.76 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.86 5.03 0.00 1.66 1.82 0.00 3.09 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 51 E 8.38 4.95 0.00 2.13 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 52 V 8.18 4.02 1.89 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 0.74 0.00 0.00 53 K 8.86 4.10 0.00 1.89 1.80 0.00 1.82 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.34 1.34 7.81