NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9765 7.8976 114.0544 61.2090 32.9521 174.5364 2 V 4.0083 8.2218 123.1303 59.8011 31.1240 173.4265 3 S 4.8107 8.5483 118.6001 56.4634 66.4253 173.2972 4 H 4.9275 8.5769 121.8223 54.3595 31.2773 173.4826 5 F 4.9229 8.5208 126.6828 57.2134 40.2837 174.4871 6 N 4.7584 7.6813 123.3610 51.4746 42.5523 172.8224 7 D 4.4586 7.9424 119.1048 52.7775 42.6922 175.9545 8 C 4.6165 8.2988 120.8784 55.4099 44.1299 170.9864 9 P 4.4969 0.0000 0.0000 61.8784 31.7792 176.3249 10 L 4.0783 8.5662 118.7876 58.4576 41.6897 179.2021 11 S 4.5398 7.6608 115.1991 57.5477 61.3631 173.3340 12 H 4.4854 8.1829 118.7955 57.7844 29.2667 177.0847 13 D 4.8679 7.5060 118.2460 52.7947 39.4740 178.2610 14 G 3.6527 7.7327 109.5442 49.3213 0.0000 174.9460 15 Y 4.3083 7.7854 122.5137 58.4696 39.5615 176.4315 16 C 4.4539 8.0329 117.3704 55.6171 39.1352 173.3725 17 L 4.2552 7.7347 125.1082 54.9790 42.2063 176.0614 18 H 3.7010 9.0658 116.4955 57.5509 28.4460 173.8904 19 D 4.2713 8.2465 112.0053 54.5094 36.9360 174.3094 20 G 3.6886 7.5121 103.2891 46.1751 0.0000 174.2627 21 V 4.1691 8.4099 124.5976 61.7028 31.0854 172.6373 22 C 5.1291 8.5375 125.4907 56.3683 45.3741 172.0269 23 M 5.1584 9.1522 124.7416 53.8574 36.4875 173.5599 24 Y 4.3986 8.5774 121.6049 56.6152 40.8711 175.0457 25 I 4.1650 7.8601 127.2056 59.3234 38.2673 176.3520 26 E 3.3341 8.5636 126.2612 58.8431 29.8450 178.5051 27 A 4.4446 7.7854 120.7043 53.5495 18.5086 177.6866 28 L 4.4901 7.4413 112.0915 53.5985 43.3127 175.6146 29 D 4.3370 7.7228 116.8540 55.4978 40.0551 172.6471 30 K 4.8636 7.5406 114.6743 54.5078 36.3640 174.6576 31 Y 5.1314 8.5641 117.3828 56.7722 41.5255 174.7242 32 A 4.7965 9.0246 121.9334 51.5138 23.6841 174.1970 33 C 5.5348 8.7066 115.4695 55.4204 40.0555 173.6609 34 N 5.0401 9.2486 122.5401 52.4784 40.6360 173.1105 35 C 5.1322 8.6116 121.8180 55.2859 42.7754 173.7539 36 V 4.0953 8.0676 120.7943 61.8086 32.2283 176.0281 37 V 3.7915 8.1780 123.7628 62.8207 32.0849 176.4059 38 G 4.0015 9.2272 110.9566 45.7356 0.0000 171.6973 39 Y 5.0392 7.9746 116.0117 55.7167 40.8458 174.9583 40 I 4.6932 9.0369 116.8149 59.2873 41.1652 175.4221 41 G 4.3564 8.7309 106.7049 45.1325 0.0000 174.6378 42 E 3.9822 8.5889 117.6736 58.5197 29.6297 177.7662 43 R 4.1816 7.8959 117.3724 55.3818 30.5353 176.2975 44 C 4.6471 7.9064 112.7609 59.0739 38.2044 175.1070 45 Q 3.8493 8.2172 119.2039 58.9040 28.6289 176.5077 46 Y 4.9513 7.5051 114.5171 56.6267 40.8425 174.8177 47 R 4.6074 8.4550 119.5627 54.8511 31.9790 175.8730 48 D 4.5367 8.7600 123.8166 54.1908 41.3427 176.2922 49 L 4.1963 8.7647 126.3709 57.4026 42.8374 179.3214 50 K 4.0682 8.2060 118.1150 59.0172 31.6601 178.9374 51 W 4.1959 8.1456 115.7510 58.6876 28.4272 178.4039 52 W 3.8133 7.0945 118.9177 59.0875 29.6588 177.2914 53 E 4.4460 7.2885 116.3491 55.3627 28.1756 176.3720 54 L 4.3356 7.3732 124.1760 55.3150 42.5183 175.4678 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 V 7.90 3.98 2.09 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 0.97 0.00 0.00 1.02 0.00 0.00 2 V 8.22 4.01 2.09 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 0.58 0.00 0.00 0.96 0.00 0.00 3 S 8.55 4.81 0.00 3.89 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 4 H 8.58 4.93 0.00 3.13 3.24 0.00 5.97 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.52 4.92 0.00 3.00 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 6 N 7.68 4.76 0.00 2.31 2.47 0.00 0.00 6.89 8.06 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 7 D 7.94 4.46 0.00 2.51 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.62 0.00 3.20 3.01 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 9 P 0.00 4.50 0.00 2.02 1.95 0.00 3.68 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 1.87 2.04 0.00 10 L 8.57 4.08 0.00 1.61 1.76 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.66 4.54 0.00 3.83 3.82 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 0.00 0.00 0.00 0.00 12 H 8.18 4.49 0.00 3.25 3.55 0.00 5.51 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.51 4.87 0.00 2.79 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.73 3.65 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 15 Y 7.79 4.31 0.00 2.83 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 16 C 8.03 4.45 0.00 3.01 3.01 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 17 L 7.73 4.26 0.00 1.55 1.47 0.82 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 18 H 9.07 3.70 0.00 3.34 3.19 0.00 5.86 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.25 4.27 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.51 3.69 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 21 V 8.41 4.17 2.23 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 0.88 0.00 0.00 0.94 0.00 0.00 22 C 8.54 5.13 0.00 3.26 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 23 M 9.15 5.16 0.00 2.15 1.97 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 2.59 2.58 0.00 24 Y 8.58 4.40 0.00 2.38 2.63 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 0.00 0.00 0.00 0.00 25 I 7.86 4.16 1.65 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 1.22 0.81 0.80 0.00 0.00 26 E 8.56 3.33 0.00 2.18 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 0.00 2.28 2.31 0.00 27 A 7.79 4.44 1.24 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 0.00 0.00 0.00 28 L 7.44 4.49 0.00 1.52 1.64 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.72 4.34 0.00 2.84 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 30 K 7.54 4.86 0.00 1.62 1.71 0.00 1.72 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.37 7.81 31 Y 8.56 5.13 0.00 2.92 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 32 A 9.02 4.80 1.26 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 0.00 0.00 33 C 8.71 5.53 0.00 2.87 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.25 5.04 0.00 2.83 2.68 0.00 0.00 6.80 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 C 8.61 5.13 0.00 2.92 3.01 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 36 V 8.07 4.10 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 0.91 0.00 0.00 0.85 0.00 0.00 37 V 8.18 3.79 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 0.76 0.00 0.00 0.80 0.00 0.00 38 G 9.23 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 39 Y 7.97 5.04 0.00 3.15 2.95 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 40 I 9.04 4.69 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.00 1.00 0.00 0.00 41 G 8.73 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.59 3.98 0.00 2.11 2.13 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 0.00 2.28 2.27 0.00 43 R 7.90 4.18 0.00 1.72 1.80 0.00 2.97 0.00 0.00 2.80 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.33 0.00 44 C 7.91 4.65 0.00 3.17 3.22 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 0.00 45 Q 8.22 3.85 0.00 0.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.80 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 46 Y 7.51 4.95 0.00 3.02 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 47 R 8.46 4.61 0.00 1.61 1.73 0.00 2.96 0.00 0.00 2.65 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.57 0.00 48 D 8.76 4.54 0.00 2.78 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.76 4.20 0.00 1.77 1.66 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.21 4.07 0.00 1.94 1.93 0.00 1.57 0.00 0.00 1.92 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.59 7.81 51 W 8.15 4.20 0.00 3.41 3.10 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 0.00 0.00 0.00 0.00 52 W 7.09 3.81 0.00 3.01 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.29 4.45 0.00 2.01 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 2.30 2.22 0.00 54 L 7.37 4.34 0.00 1.73 1.68 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00