NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4511 8.3049 120.3260 54.9192 33.4229 175.1749 2 K 4.1207 8.3936 121.6857 55.7079 33.0043 174.9893 3 I 4.5876 7.7703 121.5807 59.2515 40.9519 175.7918 4 S 4.1398 8.9793 120.4741 60.9317 63.0413 174.8456 5 G 3.7523 8.1166 109.5424 45.9186 0.0000 173.2843 6 R 3.9455 8.6100 125.0071 58.5483 30.6870 176.4570 7 N 4.7080 8.1534 116.3376 52.2488 39.5276 174.6429 8 K 4.8472 8.6034 123.9374 54.4714 34.6170 175.9112 9 L 4.2754 8.6375 126.0728 52.5863 44.0577 176.1508 10 E 4.7155 8.9419 124.7019 56.1336 29.8046 175.7234 11 A 5.1288 8.9991 126.8010 50.3295 23.6139 173.9836 12 T 5.0008 8.4317 113.8533 61.6543 72.0422 174.5015 13 V 3.9983 8.6894 126.8728 63.3578 32.0353 175.9607 14 K 4.2183 9.3176 129.9056 58.1163 33.3231 175.9656 15 E 4.8237 7.8045 118.4923 54.9049 33.4732 173.5983 16 I 5.0938 8.2428 124.2318 59.5827 40.8183 174.6900 17 V 4.3311 8.8039 127.3742 61.0496 33.7501 174.1694 18 K 4.6660 8.7934 127.7488 55.1331 33.4913 176.6015 19 G 4.2127 8.5950 116.1299 44.3744 0.0000 172.9055 20 T 4.0680 8.4972 114.7995 65.7812 69.0596 175.3049 21 V 4.2604 7.9069 119.0101 64.0400 34.3640 175.5632 22 M 5.1724 7.9748 118.1066 53.6359 35.3076 174.8113 23 A 5.1019 8.9517 121.8402 50.1555 22.9536 175.0166 24 K 4.6220 9.1378 124.3199 55.5345 33.9537 175.4542 25 I 4.6974 8.9975 129.3285 59.7325 39.1888 174.6139 26 V 4.5857 8.8870 128.8367 62.0552 32.9485 174.8257 27 M 5.3441 9.2570 126.8077 53.6014 36.7303 173.5659 28 D 5.1384 9.1646 121.0779 52.9507 43.6978 174.6795 29 Y 4.8463 9.2057 127.0028 55.5301 41.1450 174.7645 30 K 3.5760 9.3442 128.6106 57.1310 29.3915 175.8786 31 G 3.9711 8.0586 105.2311 45.4551 0.0000 172.1594 32 T 4.6247 7.7844 116.6443 61.4492 71.3370 172.4276 33 E 4.8977 8.6494 125.9151 55.4801 30.8063 175.2494 34 L 4.9203 9.0443 126.5358 53.0695 45.2806 175.6441 35 V 4.8700 8.2423 119.9812 61.3338 34.3408 174.2273 36 A 4.8709 9.2676 129.6054 49.9552 22.2414 174.7237 37 A 5.2010 8.6541 122.7808 50.3325 21.0881 175.2242 38 I 4.7685 8.3403 115.4408 59.5469 41.9766 175.0791 39 T 4.6445 8.2809 111.4810 60.8833 69.8421 175.8185 40 I 3.7625 8.4525 117.5250 64.0860 37.3757 178.1087 41 D 4.3694 7.5343 118.2298 57.7112 40.5861 179.1221 42 S 4.1168 7.8781 114.9313 61.3586 62.7886 176.7731 43 V 3.5480 7.7346 120.3311 65.9889 31.1512 177.8294 44 A 3.9589 7.9675 120.3723 55.1471 18.0306 179.0783 45 D 4.2729 7.9888 115.3514 57.5185 41.4893 178.0503 46 L 4.1325 8.1182 117.0154 54.5319 42.4423 176.0438 47 D 4.3826 7.6411 117.6843 54.9433 40.0189 173.8530 48 L 4.3870 7.8127 117.9167 54.8845 42.6502 177.6876 49 V 4.5512 8.9378 115.5744 58.7068 35.8866 172.8981 50 P 4.4998 0.0000 0.0000 64.7427 31.4984 176.9624 51 G 4.0296 9.0744 111.6977 45.0973 0.0000 173.6583 52 D 4.5359 7.8887 120.5502 54.2016 42.0328 175.8544 53 K 4.6581 8.5810 122.7033 56.4193 32.8704 176.6247 54 V 4.5904 8.8829 117.3712 60.0889 36.9840 174.3365 55 T 4.8852 8.3278 117.5906 61.7486 70.3834 174.2019 56 A 4.2068 8.9885 130.1745 51.4014 19.7608 175.6537 57 L 5.1457 8.4412 124.2558 53.1645 44.9788 175.7549 58 V 4.4339 8.4668 125.1406 60.7432 34.9811 174.7090 59 K 4.2464 8.7560 128.6163 55.9871 33.1531 177.1429 60 A 3.9893 8.7779 128.2476 55.6610 18.3510 179.5476 61 T 4.1354 7.8641 103.1805 63.3840 69.0892 174.6756 62 E 4.4938 8.1496 121.1877 56.1068 29.8264 174.7881 63 M 4.5303 7.7237 119.1968 53.7385 33.6784 175.4863 64 E 4.5147 8.5495 125.4568 55.1066 31.4678 175.3478 65 V 4.4471 8.0347 118.8803 61.0381 34.1416 174.5379 66 L 4.8488 8.3280 125.8987 53.0521 44.4530 176.3450 67 K 4.0916 8.3406 121.8051 56.9696 32.0670 175.4172 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 M 8.30 4.45 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 K 8.39 4.12 0.00 1.82 1.73 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.52 7.81 3 I 7.77 4.59 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.75 0.92 0.00 0.00 4 S 8.98 4.14 0.00 3.97 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 5 G 8.12 3.75 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 0.00 0.00 0.00 6 R 8.61 3.95 0.00 1.81 2.00 0.00 3.36 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 7 N 8.15 4.71 0.00 2.82 2.74 0.00 0.00 6.72 7.12 0.00 0.00 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 K 8.60 4.85 0.00 1.57 1.69 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.46 7.81 9 L 8.64 4.28 0.00 0.92 0.13 0.70 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.94 4.72 0.00 1.97 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 2.32 2.35 0.00 11 A 9.00 5.13 1.22 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 0.00 0.00 12 T 8.43 5.00 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 1.23 0.00 0.00 13 V 8.69 4.00 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 0.78 0.00 0.00 0.93 0.00 0.00 14 K 9.32 4.22 0.00 1.77 1.87 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.38 7.81 15 E 7.80 4.82 0.00 2.04 1.71 0.00 0.00 0.00 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 2.34 0.00 16 I 8.24 5.09 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.78 0.91 0.00 0.00 17 V 8.80 4.33 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 1.05 0.00 0.00 0.93 0.00 0.00 18 K 8.79 4.67 0.00 1.67 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.42 7.81 19 G 8.60 4.21 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 0.00 20 T 8.50 4.07 4.24 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 1.21 0.00 0.00 21 V 7.91 4.26 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 1.09 0.00 0.00 0.93 0.00 0.00 22 M 7.97 5.17 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 23 A 8.95 5.10 1.17 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 0.00 0.00 0.00 24 K 9.14 4.62 0.00 1.82 1.69 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.41 7.81 25 I 9.00 4.70 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.89 0.91 0.00 0.00 26 V 8.89 4.59 2.16 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 0.96 0.00 0.00 0.98 0.00 0.00 27 M 9.26 5.34 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 28 D 9.16 5.14 0.00 2.76 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 29 Y 9.21 4.85 0.00 2.96 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 30 K 9.34 3.58 0.00 1.18 1.52 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.51 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.20 1.03 7.81 31 G 8.06 3.97 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 0.00 0.00 0.00 32 T 7.78 4.62 4.40 0.00 0.00 0.00 0.00 0.00 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 33 E 8.65 4.90 0.00 1.99 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 2.27 2.48 0.00 34 L 9.04 4.92 0.00 1.58 1.52 0.75 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.24 4.87 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 0.79 0.00 0.00 0.94 0.00 0.00 36 A 9.27 4.87 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 37 A 8.65 5.20 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 38 I 8.34 4.77 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.23 0.90 0.00 0.00 39 T 8.28 4.64 4.24 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 1.21 0.00 0.00 40 I 8.45 3.76 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.62 0.96 0.00 0.00 41 D 7.53 4.37 0.00 2.76 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 42 S 7.88 4.12 0.00 4.07 3.90 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 43 V 7.73 3.55 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 1.05 0.00 0.00 0.98 0.00 0.00 44 A 7.97 3.96 1.38 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 45 D 7.99 4.27 0.00 2.77 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 46 L 8.12 4.13 0.00 1.76 1.70 0.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.64 4.38 0.00 2.73 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 48 L 7.81 4.39 0.00 1.69 1.59 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.94 4.55 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 0.72 0.00 0.00 0.96 0.00 0.00 50 P 0.00 4.50 0.00 2.04 2.17 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 51 G 9.07 4.03 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 0.00 0.00 0.00 52 D 7.89 4.54 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.58 4.66 0.00 1.65 1.76 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.42 7.81 54 V 8.88 4.59 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 0.74 0.00 0.00 0.95 0.00 0.00 55 T 8.33 4.89 4.21 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 1.16 0.00 0.00 56 A 8.99 4.21 1.08 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 57 L 8.44 5.15 0.00 1.57 1.49 1.01 0.87 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 58 V 8.47 4.43 2.05 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 0.87 0.00 0.00 0.89 0.00 0.00 59 K 8.76 4.25 0.00 1.82 1.77 0.00 1.78 0.00 0.00 2.00 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.43 7.81 60 A 8.78 3.99 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 61 T 7.86 4.14 4.24 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 1.21 0.00 0.00 62 E 8.15 4.49 0.00 2.09 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 2.25 2.25 0.00 63 M 7.72 4.53 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 64 E 8.55 4.51 0.00 1.99 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 2.28 0.00 65 V 8.03 4.45 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 0.85 0.00 0.00 0.94 0.00 0.00 66 L 8.33 4.85 0.00 1.64 1.53 0.93 0.83 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 67 K 8.34 4.09 0.00 1.66 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.43 7.81