NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4494 8.3193 116.7931 57.6084 63.9219 175.4177 7 E 3.7879 8.8849 127.8586 56.2096 29.4258 174.4135 8 P 4.2111 0.0000 0.0000 63.0381 32.6910 177.1976 9 I 4.0896 8.0579 124.2814 60.1193 38.4356 175.1907 10 D 4.4334 8.4140 124.2509 53.2827 41.5539 175.1287 11 P 4.4624 0.0000 0.0000 64.5994 31.4841 177.0741 12 S 4.3931 8.0331 115.2012 60.5008 63.3972 175.1576 13 K 4.2181 7.7681 116.2521 56.3426 32.4846 175.9145 14 L 4.0960 7.6257 121.8731 54.7459 41.7464 175.3831 15 E 4.7248 8.1527 125.2196 54.4490 33.5681 174.9477 16 F 5.1847 8.6885 120.3311 55.8912 41.8167 174.6186 17 A 5.4654 9.5421 124.1449 50.0515 22.8153 174.9731 18 R 5.2499 8.7866 115.5551 54.1839 32.6896 174.7571 19 A 4.5951 8.7963 124.6407 52.0358 19.1230 178.2663 20 L 3.6120 9.0568 123.4059 56.7203 42.4897 176.7040 21 Y 4.9333 7.7013 113.2537 55.7791 42.1250 175.2894 22 D 4.8927 8.9328 120.5149 54.5774 42.3347 175.9422 23 F 4.7499 9.3650 123.8907 56.5702 42.5250 173.5849 24 V 4.1735 7.7832 126.6921 60.3040 32.2161 173.7447 25 P 4.1437 0.0000 0.0000 63.6582 31.8301 176.7732 26 E 4.4037 10.3124 117.8736 56.6443 31.7450 175.8018 27 N 5.0840 7.8778 114.3753 50.5474 38.6203 173.4776 28 P 4.5146 0.0000 0.0000 63.9997 32.6958 178.5058 29 E 4.1259 8.9091 117.9029 59.4795 29.6918 183.5305 30 M 4.9852 7.9090 116.2331 54.2208 34.0591 176.4176 31 E 5.2834 8.2606 117.8889 56.2438 31.6427 175.6241 32 V 4.5638 8.3422 122.7305 60.0459 34.0680 174.9186 33 A 4.9280 8.5559 123.6637 51.2395 20.1383 176.7373 34 L 4.9178 8.8535 120.3926 52.8521 46.5341 175.3509 35 K 4.9550 10.0571 124.6365 53.9158 35.1322 175.1559 36 K 3.9811 10.6145 127.3149 58.6694 32.2095 176.5609 37 G 4.0212 9.4916 116.3294 45.0230 0.0000 173.3423 38 D 4.5918 8.3396 120.2108 54.5009 42.0263 175.1550 39 L 5.3065 8.2684 122.9037 54.1767 44.3060 175.1126 40 M 5.0008 8.9511 119.9386 54.5598 35.0858 172.9313 41 A 4.8855 8.7446 121.9589 50.4345 21.6938 176.1320 42 I 4.2901 8.0982 123.2850 60.7513 37.2281 176.2192 43 L 4.1796 9.1098 128.6479 56.6128 42.5423 177.3995 44 S 4.4235 7.3449 110.6616 57.5472 65.3574 177.0153 45 K 4.0915 7.8507 123.8969 55.8922 33.0109 175.8998 46 K 4.5895 8.1724 122.1714 55.1446 34.3688 176.5578 47 D 4.8469 8.4331 122.9349 52.3211 40.8817 176.4333 48 P 4.3429 0.0000 0.0000 66.9257 30.3570 176.2104 49 L 4.4135 8.1935 123.4136 52.8966 40.3661 178.2463 50 G 3.8118 7.1118 114.7619 43.6349 0.0000 173.4707 51 R 4.9806 8.7459 134.3646 56.2612 32.2363 169.8243 52 D 4.6365 8.8613 124.8443 53.9344 39.7122 173.3115 53 S 5.1245 8.3677 121.9559 56.0492 66.6554 170.1333 54 D 5.0732 8.9998 115.0968 55.6461 41.9337 176.0520 55 W 5.0011 8.4851 119.3989 54.8954 30.9783 175.2663 56 W 5.2683 9.3622 125.8381 55.3489 31.1842 175.3304 57 K 4.2773 9.1266 124.9133 55.4339 33.3417 175.9597 58 V 4.8506 9.0244 119.6608 59.6312 36.9894 174.0494 59 R 4.9266 8.8926 121.1876 54.9471 32.7829 175.4561 60 T 4.5205 9.1290 123.9796 62.8039 69.2436 175.7576 61 K 4.0965 8.5195 121.6410 59.7107 32.7049 177.5357 62 N 4.6191 8.2208 115.2584 53.0045 38.5122 175.7934 63 G 3.9471 8.1669 106.6525 45.2860 0.0000 173.4247 64 N 4.6704 7.8628 118.1428 52.9139 39.6285 174.6106 65 I 5.2329 8.0418 124.3595 59.1058 39.2996 175.2896 66 G 4.2494 7.8650 112.5181 46.8556 0.0000 170.6274 67 Y 5.4527 9.1939 119.1399 56.8640 40.3517 175.3188 68 I 4.1706 9.1158 114.9725 58.5528 41.7099 172.6843 69 P 3.5335 0.0000 0.0000 62.0201 31.6056 177.2821 70 Y 3.2783 8.0908 122.2373 59.1996 37.6544 177.4049 71 N 4.3268 6.7985 115.5004 53.4327 37.8451 174.9360 72 Y 4.2473 7.7793 117.2941 58.4946 38.6278 174.4829 73 I 5.1028 7.1200 112.4936 58.9229 41.3880 174.5788 74 E 4.6788 9.0181 122.2879 54.4637 32.8557 174.2794 75 I 4.2517 8.6590 128.3860 61.5891 37.8886 175.9277 76 I 4.0292 8.9533 129.3306 61.1384 36.8761 175.7415 77 K 4.5257 8.4321 126.7183 54.5314 33.7156 177.4269 78 R 4.1157 8.5116 120.0054 56.7025 29.9393 176.6795 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 6 S 8.32 4.45 0.00 3.85 3.37 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 7 E 8.88 3.79 0.00 2.13 1.96 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 2.24 2.31 0.00 8 P 0.00 4.21 0.00 2.04 2.04 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 9 I 8.06 4.09 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.81 0.00 0.00 10 D 8.41 4.43 0.00 2.67 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.46 0.00 2.21 2.15 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 12 S 8.03 4.39 0.00 4.02 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 13 K 7.77 4.22 0.00 1.73 1.79 0.00 1.47 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.31 7.81 14 L 7.63 4.10 0.00 1.66 1.54 0.68 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.15 4.72 0.00 1.80 1.74 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 2.21 2.34 0.00 16 F 8.69 5.18 0.00 3.09 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 17 A 9.54 5.47 1.31 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 0.00 0.00 18 R 8.79 5.25 0.00 1.87 2.04 0.00 2.79 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.54 0.00 19 A 8.80 4.60 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.06 3.61 0.00 1.13 0.99 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.70 4.93 0.00 2.76 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 22 D 8.93 4.89 0.00 2.68 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 23 F 9.36 4.75 0.00 2.89 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 24 V 7.78 4.17 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 0.78 0.00 0.00 0.87 0.00 0.00 25 P 0.00 4.14 0.00 2.07 2.07 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.38 0.00 26 E 10.31 4.40 0.00 1.98 1.84 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 2.18 2.13 0.00 27 N 7.88 5.08 0.00 2.78 2.68 0.00 0.00 7.13 8.03 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 28 P 0.00 4.51 0.00 2.04 2.15 0.00 3.72 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 29 E 8.91 4.13 0.00 1.93 1.87 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 2.26 2.13 0.00 30 M 7.91 4.99 0.00 1.65 2.01 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.09 0.00 31 E 8.26 5.28 0.00 2.10 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 0.00 2.96 2.32 0.00 32 V 8.34 4.56 2.19 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 0.77 0.00 0.00 1.01 0.00 0.00 33 A 8.56 4.93 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 34 L 8.85 4.92 0.00 1.75 1.60 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 35 K 10.06 4.95 0.00 1.74 1.78 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.52 7.81 36 K 10.61 3.98 0.00 1.84 1.77 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.41 7.81 37 G 9.49 4.02 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 0.00 0.00 0.00 38 D 8.34 4.59 0.00 2.69 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 39 L 8.27 5.31 0.00 1.66 1.58 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 40 M 8.95 5.00 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00 41 A 8.74 4.89 1.14 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 0.00 0.00 42 I 8.10 4.29 1.72 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.63 0.75 0.00 0.00 43 L 9.11 4.18 0.00 1.46 1.62 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.34 4.42 0.00 3.78 3.56 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 45 K 7.85 4.09 0.00 1.38 1.31 0.00 1.18 0.00 0.00 1.19 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.59 7.81 46 K 8.17 4.59 0.00 1.76 1.75 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.48 7.81 47 D 8.43 4.85 0.00 2.73 2.47 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 48 P 0.00 4.34 0.00 2.08 2.04 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 49 L 8.19 4.41 0.00 1.65 1.53 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.11 3.81 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 0.00 0.00 0.00 51 R 8.75 4.98 0.00 1.83 1.86 0.00 3.28 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.92 0.00 52 D 8.86 4.64 0.00 2.68 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 53 S 8.37 5.12 0.00 3.31 3.63 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 54 D 9.00 5.07 0.00 2.78 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.49 5.00 0.00 3.29 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.36 5.27 0.00 3.24 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 57 K 9.13 4.28 0.00 1.05 1.40 0.00 1.42 0.00 0.00 1.53 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.13 0.76 7.81 58 V 9.02 4.85 2.21 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 0.73 0.00 0.00 0.96 0.00 0.00 59 R 8.89 4.93 0.00 1.80 1.75 0.00 3.10 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 60 T 9.13 4.52 4.37 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 1.27 0.00 0.00 61 K 8.52 4.10 0.00 1.89 1.98 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.49 7.81 62 N 8.22 4.62 0.00 2.76 2.90 0.00 0.00 7.03 7.65 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 63 G 8.17 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 0.00 0.00 0.00 64 N 7.86 4.67 0.00 2.71 2.80 0.00 0.00 7.04 7.54 0.00 0.00 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 I 8.04 5.23 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 1.23 0.15 0.90 0.00 0.00 66 G 7.87 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 67 Y 9.19 5.45 0.00 3.10 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.12 4.17 1.27 0.00 0.00 0.70 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 1.14 0.77 0.00 0.00 69 P 0.00 3.53 0.00 1.87 1.21 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.44 0.00 70 Y 8.09 3.28 0.00 1.43 1.43 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 71 N 6.80 4.33 0.00 2.43 2.19 0.00 0.00 6.01 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 72 Y 7.78 4.25 0.00 2.99 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 73 I 7.12 5.10 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.67 0.92 0.00 0.00 74 E 9.02 4.68 0.00 2.02 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 75 I 8.66 4.25 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.92 1.04 0.00 0.00 76 I 8.95 4.03 2.06 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 1.28 0.65 0.95 0.00 0.00 77 K 8.43 4.53 0.00 1.76 1.75 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.42 7.81 78 R 8.51 4.12 0.00 1.81 1.86 0.00 3.25 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00