NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2634 8.2601 123.5836 51.4638 19.9530 176.5117 2 A 3.9756 8.3380 123.1440 49.5988 19.2443 175.2995 3 P 4.4854 0.0000 0.0000 63.0532 33.5548 173.6267 4 L 5.0641 8.2523 121.4139 52.9372 43.6891 176.5419 5 V 3.5643 8.4994 122.3854 63.4729 32.0633 175.3212 6 A 4.6375 8.6667 129.9054 50.7642 20.0554 178.3482 7 E 4.2038 8.8426 121.5915 59.0742 29.7362 178.1472 8 T 4.3152 7.7972 106.7648 62.1283 69.8646 175.3866 9 D 4.5138 8.0727 123.6249 54.1764 42.7257 176.7910 10 A 4.0473 8.6578 125.0559 55.7587 18.4236 180.1207 11 N 4.3749 8.2464 114.1252 56.1166 38.6037 177.3676 12 A 4.2586 8.2333 121.8211 55.3111 18.0701 179.5507 13 K 3.9754 8.6284 117.3218 59.7666 31.9292 179.5715 14 S 4.2120 7.9938 112.0553 61.4221 62.7042 175.7565 15 L 4.3103 8.3969 120.4880 55.1694 41.2192 178.1239 16 G 4.2452 7.7337 106.0669 46.1701 0.0000 173.1366 17 Y 4.4023 8.1948 120.8400 57.3548 39.4632 175.7933 18 V 4.2708 7.8029 119.0798 59.2326 35.0202 176.6099 19 A 3.9520 9.0472 125.9240 53.7181 18.7478 176.8852 20 D 5.0739 7.5480 115.4071 52.2444 44.0996 175.9148 21 T 3.7800 9.0029 122.4332 65.0946 67.4697 175.7684 22 T 3.9315 7.7298 110.2741 63.5058 68.8627 175.0835 23 K 4.3004 7.8589 120.4662 55.8065 32.3220 176.4292 24 A 3.9186 7.2155 122.2402 52.1538 18.7090 178.7375 25 D 4.5718 8.5387 120.1346 53.2251 40.9351 177.3479 26 K 4.2161 8.2963 126.7866 59.1393 32.2553 178.9075 27 T 3.9788 7.7743 115.9426 66.4694 68.4123 176.4509 28 K 4.0070 7.8841 118.8374 57.5896 33.6887 176.8232 29 Y 4.9486 7.5197 116.9603 55.0920 37.8901 174.2581 30 P 4.4373 0.0000 0.0000 64.8848 31.9678 178.4770 31 K 4.2608 8.0560 116.6446 57.2860 32.5195 176.5923 32 H 4.4295 8.2298 119.1673 55.6053 30.5103 174.2986 33 T 4.4261 7.0435 113.3482 59.5025 71.6494 174.8494 34 K 3.9407 8.2204 121.1005 58.3235 32.2196 177.7718 35 D 4.4641 7.2484 116.5298 55.0302 41.2218 176.2848 36 Q 3.7965 7.4382 120.5273 54.5053 29.5763 175.1344 37 S 4.9163 8.5187 115.9758 57.2279 66.4605 174.9917 38 C 4.1189 9.1026 119.2634 62.9930 27.9083 176.8652 39 S 3.9754 8.0422 113.7793 60.8550 62.6339 175.1812 40 T 4.5847 8.2717 109.3032 61.2413 68.7536 173.2057 41 C 4.1766 8.2129 122.9919 58.2264 32.5420 174.5442 42 A 3.9560 8.5967 129.4599 54.9163 18.0771 178.9034 43 L 4.2188 7.6226 114.0044 56.3148 42.3446 176.7056 44 Y 4.4589 7.8163 121.1695 57.9102 39.0516 175.8686 45 Q 4.4812 8.3590 125.1101 55.6059 29.6346 176.7237 46 G 3.3763 5.4491 106.7626 44.9194 0.0000 175.8322 47 K 3.6813 7.2902 119.0118 58.1489 30.9199 176.2819 48 T 4.4347 8.7884 117.2398 62.1381 68.0641 174.3384 49 A 4.3384 7.9135 126.4303 51.4944 19.1363 176.8612 50 P 4.6384 0.0000 0.0000 65.0073 32.4473 175.8767 51 Q 5.0994 7.5400 117.5975 55.1097 32.0859 173.9322 52 G 3.9645 8.7846 106.1402 45.7272 0.0000 172.3109 53 A 4.7151 7.9461 121.3248 51.6528 20.2426 176.1059 54 C 5.1076 8.4847 120.1814 56.7980 34.3240 173.1202 55 P 4.2910 0.0000 0.0000 65.8021 31.2332 178.4224 56 L 3.7275 7.9606 117.8560 57.3408 41.7311 177.7262 57 F 4.5218 7.9992 114.9140 56.9286 38.9266 174.9498 58 A 4.0661 7.4045 123.4711 53.3282 18.2944 177.6067 59 G 4.1456 8.8136 113.0192 45.5682 0.0000 174.1903 60 K 4.8217 7.9230 117.0695 54.6429 36.3339 176.4358 61 E 4.6178 9.3358 122.9893 55.7441 31.8951 175.6748 62 V 4.5778 8.6302 114.5819 59.7176 35.1297 175.1999 63 V 4.5262 8.4768 122.4562 62.0501 32.3662 176.7791 64 A 3.5285 8.9624 129.8480 54.7588 19.3640 178.8020 65 K 4.2298 8.1440 112.4796 56.9233 33.5032 178.0696 66 G 3.7698 8.1258 109.7373 46.8839 0.0000 172.4773 67 W 5.0126 8.1299 126.5705 57.0983 34.9501 173.9759 68 C 4.6578 7.1164 118.4568 56.1991 32.7051 174.7771 69 S 3.4087 7.8010 113.4741 59.7647 62.4440 174.8586 70 A 4.1999 7.4072 122.8382 51.9230 18.7320 176.9654 71 W 4.2692 7.4235 126.2189 58.1890 31.3554 175.3744 72 A 4.2670 7.2457 126.9857 49.4045 21.9561 175.3259 73 K 3.5922 7.8286 122.3378 56.6785 33.3568 177.2290 74 K 4.0428 7.9025 119.8060 57.1269 32.7794 176.4837 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 A 8.26 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 2 A 8.34 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.49 0.00 2.13 2.19 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 4 L 8.25 5.06 0.00 1.56 1.64 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.50 3.56 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 0.39 0.00 0.00 6 A 8.67 4.64 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 7 E 8.84 4.20 0.00 2.02 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 0.00 2.57 2.40 0.00 8 T 7.80 4.32 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 1.24 0.00 0.00 9 D 8.07 4.51 0.00 2.90 2.69 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 10 A 8.66 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.25 4.37 0.00 2.83 2.80 0.00 0.00 6.97 7.11 0.00 0.00 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 A 8.23 4.26 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.63 3.98 0.00 1.99 1.96 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.73 1.77 7.81 14 S 7.99 4.21 0.00 3.94 3.95 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 15 L 8.40 4.31 0.00 2.01 1.69 0.81 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.73 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.19 4.40 0.00 2.80 2.81 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 18 V 7.80 4.27 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.01 0.00 0.00 19 A 9.05 3.95 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 20 D 7.55 5.07 0.00 2.65 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.00 3.78 4.49 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 1.23 0.00 0.00 22 T 7.73 3.93 4.17 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 0.00 0.00 1.21 0.00 0.00 23 K 7.86 4.30 0.00 1.82 1.80 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.30 7.81 24 A 7.22 3.92 0.43 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 0.00 0.00 25 D 8.54 4.57 0.00 2.83 2.74 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 26 K 8.30 4.22 0.00 1.70 1.81 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.37 7.81 27 T 7.77 3.98 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 1.16 0.00 0.00 28 K 7.88 4.01 0.00 0.85 0.74 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.22 1.34 7.81 29 Y 7.52 4.95 0.00 3.25 3.15 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 0.00 0.00 0.00 30 P 0.00 4.44 0.00 2.19 2.19 0.00 3.90 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 31 K 8.06 4.26 0.00 1.94 2.01 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.51 7.81 32 H 8.23 4.43 0.00 2.42 3.08 0.00 5.74 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.04 4.43 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 1.06 0.00 0.00 34 K 8.22 3.94 0.00 1.64 1.79 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.33 7.81 35 D 7.25 4.46 0.00 2.59 2.65 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 36 Q 7.44 3.80 0.00 1.58 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.55 0.00 0.00 0.00 0.00 0.00 1.16 1.47 0.00 37 S 8.52 4.92 0.00 4.16 3.93 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 38 C 9.10 4.12 0.00 2.88 2.55 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 0.00 0.00 0.00 0.00 39 S 8.04 3.98 0.00 3.98 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 40 T 8.27 4.58 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 41 C 8.21 4.18 0.00 3.18 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 42 A 8.60 3.96 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 43 L 7.62 4.22 0.00 1.65 1.74 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.82 4.46 0.00 3.03 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 45 Q 8.36 4.48 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 46 G 5.45 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.29 3.68 0.00 1.88 0.89 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.35 7.81 48 T 8.79 4.43 4.29 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 1.25 0.00 0.00 49 A 7.91 4.34 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.64 0.00 2.17 2.35 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 51 Q 7.54 5.10 0.00 2.38 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 52 G 8.78 3.96 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 0.00 0.00 0.00 53 A 7.95 4.72 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.48 5.11 0.00 3.17 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 55 P 0.00 4.29 0.00 2.21 2.27 0.00 3.83 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 56 L 7.96 3.73 0.00 1.19 1.20 0.78 0.67 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 57 F 8.00 4.52 0.00 3.10 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 58 A 7.40 4.07 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 59 G 8.81 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.92 4.82 0.00 1.59 1.60 0.00 1.77 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.41 7.81 61 E 9.34 4.62 0.00 1.89 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 2.39 2.29 0.00 62 V 8.63 4.58 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 0.32 0.00 0.00 1.20 0.00 0.00 63 V 8.48 4.53 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 1.10 0.00 0.00 1.01 0.00 0.00 64 A 8.96 3.53 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 65 K 8.14 4.23 0.00 1.70 1.81 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.43 7.81 66 G 8.13 3.77 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 0.00 0.00 0.00 67 W 8.13 5.01 0.00 3.30 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 68 C 7.12 4.66 0.00 2.91 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 69 S 7.80 3.41 0.00 3.71 2.81 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 70 A 7.41 4.20 1.21 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 0.00 0.00 0.00 71 W 7.42 4.27 0.00 3.04 3.15 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 0.00 0.00 0.00 72 A 7.25 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.83 3.59 0.00 1.79 1.90 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.38 7.81 74 K 7.90 4.04 0.00 1.91 1.84 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.61 1.39 7.81