NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9251 8.3549 109.7353 45.0565 0.0000 177.0066 3 K 3.9374 8.6809 123.3138 55.0474 32.5193 170.5137 4 V 4.4882 8.5244 121.1420 61.4351 35.8730 173.5160 5 Y 5.1740 8.7182 123.3023 56.0825 41.6203 174.4599 6 K 4.5864 8.3978 120.8225 54.5609 36.1615 174.9084 7 K 4.8569 8.3392 122.7624 54.6035 35.5059 175.9863 8 V 4.5727 8.6428 116.8136 59.4922 35.6961 173.9880 9 E 5.0725 8.7319 123.7770 54.7604 30.9874 174.8624 10 L 4.8978 9.0145 126.1362 52.8826 46.4258 175.8638 11 V 4.5797 8.2366 118.9783 61.2641 33.5266 174.5870 12 G 4.1019 8.7766 116.4882 45.5941 0.0000 171.3365 13 T 5.8277 7.8617 113.1097 59.1017 72.1616 172.9974 14 S 4.6591 8.1128 113.2963 58.4230 65.1766 176.6593 15 E 4.5049 9.1370 123.6876 57.0692 30.1151 177.5756 16 E 4.1509 8.2102 119.0782 57.2975 30.2530 177.0874 17 G 3.5365 7.1900 104.0358 44.1767 0.0000 173.3777 18 L 3.7131 7.5039 118.2505 57.9444 41.6012 179.1751 19 E 3.8886 8.1321 117.6347 59.5651 29.3129 179.3312 20 A 3.9433 7.8808 119.8389 55.1671 18.6604 179.4211 21 A 4.0761 7.8657 118.8161 55.1130 18.3777 179.9826 22 I 3.4779 7.6571 118.3989 64.7027 37.1677 178.6177 23 Q 3.8752 7.9932 118.5512 58.8086 28.4725 178.8228 24 A 3.9364 8.1915 121.6513 55.0542 18.4019 179.5574 25 A 3.8636 7.7739 118.7679 55.4287 18.5443 179.9679 26 L 3.8773 7.9873 117.1969 57.5365 41.3328 179.7590 27 A 3.9114 7.9905 120.7641 55.2226 18.5452 179.4319 28 R 3.9263 7.9960 117.0481 59.2424 30.1109 178.5432 29 A 3.9058 8.1164 120.9455 55.0815 18.1582 179.4688 30 R 3.8165 7.6890 116.0473 59.4916 30.0619 178.5608 31 K 4.1442 7.6948 118.0515 58.5755 32.1279 177.6029 32 T 4.5248 7.6626 104.7241 60.6092 70.1408 173.3644 33 L 4.4962 7.7346 121.9355 52.8550 44.4074 175.8853 34 R 4.4858 7.8143 120.0146 55.8189 33.1299 175.0907 35 H 4.1646 8.5483 115.2745 56.7173 25.6213 175.1382 36 L 4.4719 8.1776 118.7928 55.6768 42.1419 176.1571 37 D 5.1865 9.3313 123.1764 55.3213 43.1733 176.1752 38 W 5.4943 7.7224 113.2326 55.2403 31.9995 173.0460 39 F 5.3507 8.3192 114.0072 55.4115 41.0610 173.8110 40 E 4.7175 9.2589 118.3977 54.7327 33.5508 175.0061 41 V 4.1890 8.7486 125.1570 63.1098 31.8301 175.2727 42 K 4.4904 9.3575 127.6944 58.0064 33.4880 176.5718 43 E 4.8544 7.9376 116.8506 54.8135 34.6319 174.8010 44 I 5.0705 8.3174 121.2690 60.0623 40.6144 174.4547 45 R 4.6895 8.9515 124.5695 55.9464 33.3254 173.7436 46 G 4.2782 8.1232 105.0017 46.7978 0.0000 172.5930 47 T 4.7583 8.0584 110.0403 59.9975 71.4789 173.5801 48 I 4.7576 8.2706 123.7527 59.8461 39.5098 175.2056 49 G 4.3178 9.1711 116.4715 43.5262 0.0000 173.1019 50 E 3.8893 8.7972 117.2209 59.0641 29.4334 177.9471 51 A 4.4220 7.7063 118.7520 51.7300 20.4785 176.4411 52 G 4.0843 7.3824 103.0150 43.9168 0.0000 177.5785 53 V 3.7478 8.4492 126.6825 62.6124 31.1824 174.6918 54 K 4.1613 8.7037 130.4823 58.4249 32.2979 176.2717 55 E 4.8476 8.0108 118.2925 54.6723 33.9048 173.7602 56 Y 4.8858 9.4320 122.2182 57.0683 40.0904 174.5608 57 Q 4.9932 9.4550 122.8367 54.1225 32.4780 174.4851 58 V 4.6462 8.7489 124.9759 61.0105 33.9419 174.5643 59 V 4.5167 8.5718 129.7119 62.3716 32.5729 174.8568 60 L 5.2573 9.0852 127.2599 54.4905 44.5154 174.6449 61 E 5.0882 9.1635 119.6457 54.8529 32.4081 175.2153 62 V 4.5277 8.8964 123.1576 61.0441 34.5832 174.2587 63 G 2.9523 8.1366 115.7919 43.9182 0.0000 172.3759 64 F 5.6607 8.0661 118.4278 54.8107 41.9474 173.7592 65 R 4.2295 8.8251 121.1629 56.3002 30.6472 175.7266 66 L 4.5471 8.4667 127.2027 53.7650 42.6920 176.6594 67 E 3.9241 8.9555 124.3710 56.9699 30.0010 176.7362 68 E 4.0958 8.8345 121.0445 56.8480 30.9509 174.2802 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 G 8.35 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 0.00 0.00 0.00 3 K 8.68 3.94 0.00 1.77 1.39 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.46 7.81 4 V 8.52 4.49 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.90 0.00 0.00 5 Y 8.72 5.17 0.00 3.02 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 6 K 8.40 4.59 0.00 1.53 0.74 0.00 1.61 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.04 1.26 7.81 7 K 8.34 4.86 0.00 1.56 1.54 0.00 2.03 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.05 1.37 7.81 8 V 8.64 4.57 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 0.89 0.00 0.00 1.14 0.00 0.00 9 E 8.73 5.07 0.00 1.97 1.85 0.00 0.00 0.00 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 2.33 0.00 10 L 9.01 4.90 0.00 1.56 1.50 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.24 4.58 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 0.80 0.00 0.00 0.94 0.00 0.00 12 G 8.78 4.10 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 0.00 0.00 0.00 13 T 7.86 5.83 4.26 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 1.22 0.00 0.00 14 S 8.11 4.66 0.00 3.89 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.14 4.50 0.00 2.02 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 2.38 2.32 0.00 16 E 8.21 4.15 0.00 2.02 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 2.36 2.41 0.00 17 G 7.19 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.50 3.71 0.00 1.53 1.60 0.83 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.13 3.89 0.00 1.99 1.98 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 2.39 2.44 0.00 20 A 7.88 3.94 1.34 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 21 A 7.87 4.08 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 0.00 0.00 22 I 7.66 3.48 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.71 0.29 0.00 0.00 23 Q 7.99 3.88 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 24 A 8.19 3.94 1.36 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 25 A 7.77 3.86 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 26 L 7.99 3.88 0.00 1.74 1.66 0.72 0.75 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 27 A 7.99 3.91 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 28 R 8.00 3.93 0.00 1.93 1.90 0.00 3.12 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 29 A 8.12 3.91 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 30 R 7.69 3.82 0.00 2.06 1.94 0.00 3.25 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 31 K 7.69 4.14 0.00 1.81 1.82 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.56 7.81 32 T 7.66 4.52 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 1.17 0.00 0.00 33 L 7.73 4.50 0.00 1.40 0.73 0.65 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.81 4.49 0.00 1.68 1.53 0.00 3.25 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 35 H 8.55 4.16 0.00 3.64 3.55 0.00 5.63 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.18 4.47 0.00 1.67 1.68 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.33 5.19 0.00 3.05 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 38 W 7.72 5.49 0.00 3.24 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 39 F 8.32 5.35 0.00 3.05 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 40 E 9.26 4.72 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 41 V 8.75 4.19 2.18 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 0.83 0.00 0.00 1.13 0.00 0.00 42 K 9.36 4.49 0.00 1.75 1.86 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.58 7.81 43 E 7.94 4.85 0.00 1.88 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 2.31 2.35 0.00 44 I 8.32 5.07 1.91 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 1.43 0.63 0.97 0.00 0.00 45 R 8.95 4.69 0.00 1.82 2.04 0.00 3.00 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 46 G 8.12 4.28 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 0.00 47 T 8.06 4.76 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 1.19 0.00 0.00 48 I 8.27 4.76 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.60 0.91 0.00 0.00 49 G 9.17 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 0.00 0.00 0.00 0.00 50 E 8.80 3.89 0.00 1.96 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 2.30 2.30 0.00 51 A 7.71 4.42 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 52 G 7.38 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 53 V 8.45 3.75 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.45 0.00 0.00 0.76 0.00 0.00 54 K 8.70 4.16 0.00 1.78 1.76 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.38 7.81 55 E 8.01 4.85 0.00 1.84 1.75 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 2.20 2.23 0.00 56 Y 9.43 4.89 0.00 3.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.45 4.99 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 58 V 8.75 4.65 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.93 0.00 0.00 59 V 8.57 4.52 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 0.81 0.00 0.00 0.95 0.00 0.00 60 L 9.09 5.26 0.00 1.98 1.77 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.16 5.09 0.00 1.96 1.86 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 2.26 2.26 0.00 62 V 8.90 4.53 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 0.99 0.00 0.00 0.93 0.00 0.00 63 G 8.14 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 0.00 0.00 0.00 64 F 8.07 5.66 0.00 3.38 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.83 4.23 0.00 2.05 1.95 0.00 3.13 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.16 0.00 66 L 8.47 4.55 0.00 1.64 1.59 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.96 3.92 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 68 E 8.83 4.10 0.00 2.20 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 2.18 2.28 0.00