NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3496 8.1744 110.9431 61.2414 70.5724 173.4748 6 N 4.7779 7.8719 120.2719 53.1832 39.3642 173.3117 7 S 4.5066 8.8050 113.2192 57.5425 64.9975 173.2579 8 D 4.8372 8.5536 121.6334 54.9263 41.9080 175.2740 9 F 5.2219 7.8263 113.9597 55.6709 41.5127 173.7893 10 V 4.5713 8.9660 112.1391 59.5082 35.4400 174.8979 11 V 4.7959 8.6430 123.3125 61.3050 34.0552 174.4420 12 I 4.9057 9.0248 128.4239 59.3807 40.7090 174.0795 13 K 5.0602 9.1717 129.0204 54.2673 34.3638 175.0935 14 A 4.4146 8.8559 130.2655 52.1611 19.2773 177.4018 15 L 4.7389 8.9957 121.5627 54.4461 42.6337 175.8154 16 E 4.6677 7.6816 115.7219 54.9524 32.3130 174.3653 17 D 4.4698 8.3481 119.2891 55.6107 41.3470 177.0185 18 G 3.8723 8.4988 109.8951 45.5649 0.0000 173.8380 19 V 3.8237 7.6190 119.7067 63.1514 32.8298 174.4161 20 N 5.2426 9.1433 125.2985 51.6694 40.8405 173.9035 21 V 4.4737 8.6546 125.5707 61.4474 33.3047 174.3842 22 I 4.5474 8.7225 130.2316 59.2539 39.6011 175.2301 23 G 3.9962 8.8134 115.7312 45.5774 0.0000 172.4743 24 L 5.3395 8.9688 126.9294 53.5311 43.6037 176.5455 25 T 4.4706 8.8934 114.7593 61.7624 69.2904 174.2802 26 R 4.3096 8.0037 125.8835 56.9709 30.0696 175.2433 27 G 3.7715 8.7581 109.1298 44.2893 0.0000 174.0430 28 A 4.1179 8.6634 121.6131 54.2240 18.7498 177.5581 29 D 4.8427 7.2598 111.8059 53.0102 42.6325 176.3829 30 T 4.5011 8.2928 122.2065 61.4389 69.2653 172.7088 31 R 4.7314 8.7685 122.7534 53.9073 33.8528 174.0573 32 F 5.4829 8.6806 117.9249 57.4696 39.1646 175.8129 33 H 4.9454 9.0260 118.9021 56.4314 30.2804 174.3884 34 H 4.7281 7.5667 117.2458 55.0849 33.2753 172.0587 35 S 4.7568 8.1881 119.3649 56.4256 64.7525 172.2937 36 E 4.4595 9.0041 129.4433 54.7838 31.1403 174.6242 37 K 4.8343 8.6050 126.7030 55.3511 33.6352 175.8526 38 L 4.9515 8.9880 125.6330 53.0791 44.5404 175.9071 39 D 4.9445 9.6619 123.1148 52.7217 42.9569 176.0024 40 K 3.9960 8.7423 122.2081 58.6954 32.4257 175.9958 41 G 4.1167 9.0841 114.6646 45.4351 0.0000 173.8610 42 E 4.1649 8.1773 119.0372 56.4446 30.6749 176.3370 43 V 4.9332 8.3265 122.5363 60.9895 34.2010 174.2316 44 L 4.7691 9.1934 129.5807 53.2312 44.9431 174.8288 45 I 5.0495 8.4593 126.1827 59.5669 39.4375 174.7212 46 A 4.6990 8.9884 128.9786 50.1448 22.0826 175.1967 47 Q 4.8118 8.5993 120.6431 54.8424 30.5051 175.7859 48 F 4.6316 8.3554 120.6696 58.0299 38.6433 175.0793 49 T 4.7008 8.8894 111.3031 60.1720 71.9457 174.0394 50 E 4.1870 8.8964 121.2811 59.3460 29.6681 177.2733 51 H 4.5610 7.8318 114.7308 56.4214 29.8427 174.3621 52 T 5.2995 8.0289 116.9048 61.8817 70.7941 174.5568 53 S 4.9659 9.0120 119.9287 57.9688 64.8821 173.4032 54 A 5.0767 7.9422 121.4548 50.9973 22.7316 175.1032 55 I 5.0229 8.5233 120.0224 59.3574 40.8993 174.7169 56 K 4.5894 9.0716 128.2229 54.4700 34.8546 174.6121 57 V 4.8120 8.4309 126.6787 61.1748 33.6390 174.5365 58 R 4.5469 9.1914 127.2660 55.4956 32.9638 176.0453 59 G 4.0960 9.0211 108.9684 44.0388 0.0000 172.4675 60 K 4.5367 9.4819 120.6472 56.0635 32.9809 175.5803 61 A 5.0966 8.6901 128.2735 50.8825 23.4232 173.7121 62 Y 4.9426 8.9302 121.6937 56.2050 41.0024 174.5472 63 I 4.9178 8.3188 127.1205 59.4972 40.9872 174.2231 64 Q 5.0044 8.8223 126.0377 54.2650 31.6350 174.9441 65 T 4.7795 8.5756 113.0727 59.4236 72.5070 174.6345 66 R 3.7313 8.5600 120.8943 59.6060 29.8051 176.4691 67 H 4.7008 8.2239 112.2778 55.2781 29.5474 174.3722 68 G 3.7689 6.8472 106.4300 44.1186 0.0000 173.1970 69 V 4.8032 7.8503 112.9867 59.9776 35.0519 174.9559 70 I 4.4462 8.0699 120.8201 60.2794 41.9645 172.7810 71 E 5.3170 8.6143 125.6631 54.4155 32.0535 176.2108 72 S 4.5189 8.7775 119.2401 58.2621 64.7664 172.9364 73 E 4.8137 8.5886 119.8870 54.3340 32.9044 176.3787 74 G 3.7256 8.5990 109.9902 45.9658 0.0000 173.6294 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 5 T 8.17 4.35 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 1.22 0.00 0.00 6 N 7.87 4.78 0.00 2.77 2.85 0.00 0.00 7.12 6.75 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 7 S 8.80 4.51 0.00 4.15 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 8 D 8.55 4.84 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 7.83 5.22 0.00 2.94 2.94 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 10 V 8.97 4.57 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 0.53 0.00 0.00 0.81 0.00 0.00 11 V 8.64 4.80 2.11 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 1.11 0.00 0.00 1.16 0.00 0.00 12 I 9.02 4.91 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.47 0.91 0.00 0.00 13 K 9.17 5.06 0.00 1.90 1.83 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 14 A 8.86 4.41 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 15 L 9.00 4.74 0.00 1.60 1.70 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.68 4.67 0.00 2.03 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 0.00 2.19 2.33 0.00 17 D 8.35 4.47 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.50 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 0.00 0.00 0.00 19 V 7.62 3.82 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 0.90 0.00 0.00 1.04 0.00 0.00 20 N 9.14 5.24 0.00 2.61 2.62 0.00 0.00 6.28 8.54 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 21 V 8.65 4.47 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 0.98 0.00 0.00 0.89 0.00 0.00 22 I 8.72 4.55 1.50 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.41 -0.47 0.00 0.00 23 G 8.81 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 0.00 0.00 0.00 24 L 8.97 5.34 0.00 1.88 1.72 0.99 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.89 4.47 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 1.40 0.00 0.00 26 R 8.00 4.31 0.00 1.88 1.96 0.00 3.21 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.76 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 28 A 8.66 4.12 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 29 D 7.26 4.84 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.29 4.50 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 1.28 0.00 0.00 31 R 8.77 4.73 0.00 1.82 2.00 0.00 2.78 0.00 0.00 3.47 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 32 F 8.68 5.48 0.00 2.92 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 33 H 9.03 4.95 0.00 3.15 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.57 4.73 0.00 3.28 3.07 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.19 4.76 0.00 3.69 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.00 4.46 0.00 2.15 1.77 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 2.24 2.31 0.00 37 K 8.61 4.83 0.00 1.64 1.72 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.37 1.63 7.81 38 L 8.99 4.95 0.00 1.52 1.54 0.92 0.96 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 39 D 9.66 4.94 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.74 4.00 0.00 1.76 1.76 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.51 7.81 41 G 9.08 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.18 4.16 0.00 2.07 1.88 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 2.33 2.26 0.00 43 V 8.33 4.93 2.09 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.19 4.77 0.00 1.70 1.45 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.46 5.05 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 0.66 0.00 0.00 46 A 8.99 4.70 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.60 4.81 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 48 F 8.36 4.63 0.00 3.04 2.99 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 0.00 0.00 0.00 49 T 8.89 4.70 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 50 E 8.90 4.19 0.00 1.92 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 2.01 2.25 0.00 51 H 7.83 4.56 0.00 3.34 3.15 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.03 5.30 4.38 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 1.38 0.00 0.00 53 S 9.01 4.97 0.00 3.77 4.07 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 0.00 0.00 0.00 0.00 54 A 7.94 5.08 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 55 I 8.52 5.02 1.88 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 0.85 0.00 0.00 56 K 9.07 4.59 0.00 1.78 1.50 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.37 7.81 57 V 8.43 4.81 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 9.19 4.55 0.00 1.73 1.78 0.00 3.15 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 59 G 9.02 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 60 K 9.48 4.54 0.00 1.82 1.72 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.69 5.10 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 62 Y 8.93 4.94 0.00 3.05 2.84 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 0.00 0.00 0.00 63 I 8.32 4.92 1.85 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 1.17 0.71 0.82 0.00 0.00 64 Q 8.82 5.00 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.09 1.92 0.00 65 T 8.58 4.78 4.13 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 0.00 0.00 0.00 1.15 0.00 0.00 66 R 8.56 3.73 0.00 1.58 1.68 0.00 3.14 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 67 H 8.22 4.70 0.00 3.19 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.85 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 69 V 7.85 4.80 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 0.69 0.00 0.00 0.99 0.00 0.00 70 I 8.07 4.45 1.84 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 1.22 1.32 0.86 0.00 0.00 71 E 8.61 5.32 0.00 1.90 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 2.52 2.46 0.00 72 S 8.78 4.52 0.00 3.98 3.99 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 0.00 0.00 0.00 73 E 8.59 4.81 0.00 1.84 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 2.21 2.28 0.00 74 G 8.60 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 0.00 0.00 0.00