NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3558 8.2644 123.5841 52.1941 19.2041 175.5374 3 R 4.2935 7.8608 120.0700 54.5477 32.9287 175.1827 4 K 4.2424 8.2468 120.1804 58.5774 33.3461 177.3212 5 A 4.1538 7.8214 117.2040 53.4672 18.3964 177.8690 6 L 4.6435 7.7647 116.8919 54.8910 43.8144 177.5565 7 I 4.2322 8.0360 113.0656 62.3359 38.2798 177.7425 8 E 4.1015 8.0039 120.4458 59.0061 29.3521 178.4881 9 K 4.0790 8.0442 117.5032 58.5825 32.4024 177.8912 10 A 3.8912 7.2401 118.9936 54.1991 18.7236 179.3191 11 K 3.9502 7.4659 116.1608 58.8747 32.6575 177.8956 12 R 4.1228 7.4221 117.1166 56.6129 30.6286 177.0237 13 T 4.5070 8.0576 118.8465 62.3228 69.2127 172.8967 14 P 4.0457 0.0000 0.0000 63.4831 31.7805 176.5939 15 K 2.9788 8.7991 111.8188 57.5098 28.8189 171.6039 16 F 3.7417 7.6048 131.3921 56.9861 38.7499 176.5199 17 K 4.2433 8.5628 122.4887 58.3594 33.1052 179.4671 18 V 3.6968 7.5350 113.1696 64.9254 31.4416 178.0197 19 R 4.1490 8.1388 115.8024 58.3061 30.3860 177.7909 20 A 4.2611 7.2688 122.4361 52.1314 15.7783 176.6200 21 Y 4.4508 7.1962 120.0828 55.4584 39.6798 176.6745 22 T 4.0915 8.4399 111.7060 61.5691 69.8241 173.3291 23 R 4.5152 8.3622 118.5434 55.9791 32.2967 172.9925 24 C 3.9356 8.5516 126.6359 59.6325 32.4867 173.9648 25 V 3.8905 7.9637 122.8074 65.5321 30.9623 177.5859 26 R 4.0495 7.5329 117.9972 57.4204 30.7435 175.6006 27 C 4.6538 7.6704 112.2301 56.4670 31.6299 175.1006 28 G 3.6241 8.8327 108.5863 46.6052 0.0000 172.4063 29 R 3.7357 8.3518 121.4627 56.1718 29.5651 176.6361 30 A 4.2273 8.6193 129.2142 54.0494 19.1671 177.5077 31 R 4.3656 7.7734 113.4853 56.0055 32.1374 175.7578 32 S 3.5443 8.4641 114.4118 59.0520 59.9482 170.4353 33 V 4.8814 7.3577 112.8165 59.5643 34.6501 175.3531 34 Y 4.4460 9.5577 124.0808 56.4715 37.6471 176.2394 35 R 3.9605 8.9931 122.8152 59.4389 29.2603 177.4933 36 F 4.0514 8.5646 119.0026 61.2272 39.1542 175.9668 37 F 4.5041 8.9297 117.0891 57.5263 39.0039 176.5414 38 G 4.3421 8.8618 109.5942 46.2673 0.0000 173.0048 39 L 4.8949 7.6399 119.1778 53.0485 45.9880 175.1805 40 C 5.8611 8.4902 113.6907 56.2263 32.1047 174.7620 41 R 3.9932 8.5968 115.9735 59.5265 28.7996 178.7796 42 I 3.7068 7.6910 119.9986 64.2155 37.4315 177.4026 43 C 3.8485 8.1259 116.7847 63.2027 27.9393 175.7758 44 L 3.7365 7.7979 120.9762 58.5360 41.3442 179.2792 45 R 3.8085 7.5293 116.8459 59.2879 30.1227 178.0652 46 E 4.1056 8.4440 118.8408 59.3677 29.5154 179.2038 47 L 3.9193 8.0305 118.6327 57.8986 41.5869 179.3021 48 A 4.1823 7.8334 119.6254 55.6538 18.1878 178.8815 49 H 4.3487 7.6738 113.5925 58.4124 29.0784 177.6391 50 K 4.1902 8.3769 120.1738 58.5897 32.1422 177.5322 51 G 4.0834 8.6604 107.4039 46.3332 0.0000 175.7639 52 Q 4.0651 8.2264 115.2012 56.7221 28.9749 176.5094 53 L 4.7295 8.6283 119.7797 51.9439 42.8915 174.1431 54 P 4.2165 0.0000 0.0000 64.1099 31.9286 176.5258 55 G 4.2708 9.0554 115.7749 46.0485 0.0000 174.0595 56 V 3.5005 7.0970 118.6558 63.1828 31.4426 174.8242 57 R 4.5586 8.1379 125.6863 53.7701 33.3436 174.5720 58 K 4.0224 8.4360 120.9179 55.4600 31.0936 176.2050 59 A 4.2435 8.4519 129.0919 52.0402 19.0377 176.6044 60 S 4.9091 8.4638 112.4256 57.9063 65.0045 177.1184 61 W 4.7904 8.3886 124.3942 56.9513 27.6529 174.3848 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 2 A 8.26 4.36 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 3 R 7.86 4.29 0.00 1.83 1.92 0.00 3.24 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 4 K 8.25 4.24 0.00 1.91 1.76 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.56 7.81 5 A 7.82 4.15 1.32 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 0.00 0.00 0.00 6 L 7.76 4.64 0.00 1.64 1.78 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.04 4.23 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.87 1.01 0.00 0.00 8 E 8.00 4.10 0.00 2.01 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 2.58 2.31 0.00 9 K 8.04 4.08 0.00 1.78 1.90 0.00 1.89 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.53 7.81 10 A 7.24 3.89 1.19 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 0.00 0.00 0.00 11 K 7.47 3.95 0.00 1.90 1.86 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.73 1.62 7.81 12 R 7.42 4.12 0.00 1.76 1.82 0.00 3.15 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 13 T 8.06 4.51 4.20 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 0.00 0.00 0.00 1.17 0.00 0.00 14 P 0.00 4.05 0.00 2.09 2.04 0.00 3.88 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 15 K 8.80 2.98 0.00 1.62 1.36 0.00 1.86 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 0.72 1.18 7.81 16 F 7.60 3.74 0.00 3.27 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 K 8.56 4.24 0.00 1.96 2.07 0.00 1.53 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.50 7.81 18 V 7.54 3.70 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 0.73 0.00 0.00 1.04 0.00 0.00 19 R 8.14 4.15 0.00 1.91 2.15 0.00 3.41 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 20 A 7.27 4.26 1.28 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 0.00 0.00 0.00 21 Y 7.20 4.45 0.00 3.11 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.44 4.09 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 1.26 0.00 0.00 23 R 8.36 4.52 0.00 1.88 1.87 0.00 3.54 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 24 C 8.55 3.94 0.00 3.10 3.20 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 0.00 0.00 0.00 0.00 25 V 7.96 3.89 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 0.86 0.00 0.00 1.01 0.00 0.00 26 R 7.53 4.05 0.00 1.87 1.90 0.00 3.27 0.00 0.00 3.30 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 27 C 7.67 4.65 0.00 3.12 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 28 G 8.83 3.62 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 0.00 0.00 0.00 29 R 8.35 3.74 0.00 1.90 1.94 0.00 3.16 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 30 A 8.62 4.23 1.28 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 0.00 0.00 0.00 31 R 7.77 4.37 0.00 1.81 1.85 0.00 3.36 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 32 S 8.46 3.54 0.00 4.01 3.87 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 33 V 7.36 4.88 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 0.98 0.00 0.00 0.97 0.00 0.00 34 Y 9.56 4.45 0.00 3.18 3.14 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 35 R 8.99 3.96 0.00 1.98 2.17 0.00 3.13 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 36 F 8.56 4.05 0.00 3.11 3.18 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 37 F 8.93 4.50 0.00 3.28 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.86 4.34 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 0.00 0.00 0.00 39 L 7.64 4.89 0.00 1.75 1.62 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.49 5.86 0.00 3.23 3.14 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 41 R 8.60 3.99 0.00 2.15 2.44 0.00 2.99 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 42 I 7.69 3.71 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.93 0.91 0.00 0.00 43 C 8.13 3.85 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 44 L 7.80 3.74 0.00 1.49 1.89 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.53 3.81 0.00 2.03 2.04 0.00 3.34 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 46 E 8.44 4.11 0.00 2.19 1.97 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 2.30 2.59 0.00 47 L 8.03 3.92 0.00 1.65 1.71 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.83 4.18 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 49 H 7.67 4.35 0.00 3.36 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.38 4.19 0.00 1.82 1.88 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.63 7.81 51 G 8.66 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.23 4.07 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 53 L 8.63 4.73 0.00 1.65 1.73 0.62 1.37 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 54 P 0.00 4.22 0.00 2.09 2.05 0.00 3.88 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 55 G 9.06 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.10 3.50 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 0.68 0.00 0.00 1.19 0.00 0.00 57 R 8.14 4.56 0.00 1.89 1.76 0.00 3.30 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 58 K 8.44 4.02 0.00 1.74 1.75 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.35 7.81 59 A 8.45 4.24 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.46 4.91 0.00 3.86 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 61 W 8.39 4.79 0.00 3.34 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