NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9416 8.3549 109.7370 44.9918 0.0000 175.6919 2 S 4.2631 8.8268 118.5469 56.7538 64.0147 170.7949 3 S 3.6059 8.6770 114.4228 59.3078 60.8778 172.2344 4 G 4.1002 7.8257 113.1097 43.9439 0.0000 169.9023 5 S 4.4497 7.8416 112.1339 56.7204 63.9334 172.7448 6 S 4.6468 8.5287 123.1814 56.4065 63.5053 173.8568 7 G 3.9169 7.5729 115.0827 46.3240 0.0000 170.9704 8 A 4.7600 8.3022 123.4980 49.5112 22.3342 175.4750 9 P 4.6136 0.0000 0.0000 62.6760 29.8596 174.6382 10 E 4.8058 7.5281 117.2857 55.2796 33.6076 176.0343 11 E 4.5263 8.5758 118.6456 55.2711 33.2305 175.4893 12 R 4.4937 8.6544 122.8990 54.6002 31.7356 174.4851 13 D 4.8883 8.5105 122.8926 52.3977 42.7357 176.9222 14 L 4.4000 8.2893 123.8582 54.0617 43.4717 176.2900 15 T 4.4812 7.4633 109.8600 60.3690 71.8280 175.1746 16 Q 3.9500 8.5193 120.5882 59.8658 28.7254 178.9734 17 E 3.7663 8.1813 118.5712 60.0568 29.4558 178.6333 18 Q 3.5148 7.6599 116.4384 59.4809 28.8116 179.3964 19 T 3.9482 8.4470 116.4741 67.0047 68.6151 175.4539 20 E 3.9196 8.6340 121.0406 59.6443 29.5516 178.9013 21 K 3.9646 8.1775 118.0977 59.8944 32.1449 178.6240 22 L 4.1122 8.3920 118.7665 58.0829 41.5508 179.3667 23 L 4.0713 8.0391 118.4687 58.8353 41.6572 179.2305 24 Q 4.0039 8.3307 117.2092 58.9909 28.4979 178.6368 25 F 4.0765 8.8753 121.0935 61.9049 39.5644 177.1360 26 Q 4.1590 9.0274 119.2680 59.5879 28.5475 178.3799 27 D 4.2581 8.1397 117.6187 58.0654 41.3957 177.6739 28 L 3.8618 8.3262 117.9841 59.1279 41.6416 179.3303 29 T 3.5906 8.4767 112.0489 62.5954 68.5347 174.3559 30 G 4.0921 8.3523 111.0143 44.4161 0.0000 173.8917 31 I 3.8663 7.4155 119.8325 61.1591 37.7846 175.5212 32 E 4.1059 8.5770 124.2896 58.5915 30.2590 176.9089 33 S 4.1689 7.8738 121.0540 58.8771 62.5060 174.3984 34 M 3.9107 8.9066 125.8429 58.8505 31.7949 176.9802 35 D 4.3493 8.2266 117.2492 57.8529 41.3032 178.0614 36 Q 4.0504 7.9796 118.0310 60.2792 28.7571 178.5194 37 C 4.4683 8.2734 117.0332 61.8119 27.6498 175.4838 38 R 3.1813 8.3656 120.5126 60.5830 29.8083 177.4591 39 H 4.0025 8.7802 117.6866 59.6083 29.7661 176.7646 40 T 3.7853 8.1709 116.9307 67.4312 68.5669 175.8947 41 L 3.5817 7.4130 120.9578 56.3985 41.3242 178.9797 42 E 3.5873 8.6192 118.8154 60.0727 29.4465 179.4135 43 Q 3.9131 7.9658 116.2964 59.9748 28.9405 178.9245 44 H 4.1096 7.8544 116.1568 56.6630 30.0053 174.4539 45 N 4.5011 8.0701 117.2954 56.5428 37.0061 174.5502 46 W 3.4694 7.2154 117.1520 58.5310 27.2395 176.9082 47 N 5.0258 7.1188 115.4087 50.1530 38.9153 175.4690 48 I 3.8563 8.0513 123.4583 64.5140 37.4559 176.5082 49 E 4.0424 8.4048 119.0492 59.4349 29.1478 178.5659 50 A 3.8967 7.7423 119.3681 54.7318 19.0483 178.8363 51 A 3.7812 8.6471 120.1595 55.5106 18.3066 179.8979 52 V 3.7447 9.0127 117.3011 66.3985 31.4354 178.2252 53 Q 3.9345 7.5158 117.0858 59.2105 28.2560 178.4216 54 D 3.9428 8.8386 119.3222 57.0294 40.8714 178.4789 55 R 3.9732 8.0833 119.1345 59.2851 30.2873 178.1620 56 L 4.0851 8.2299 117.5839 57.8951 41.8146 178.6242 57 N 4.5497 8.7679 116.2490 55.8401 39.3708 176.6355 58 E 4.2760 7.5851 123.1692 54.9523 28.5483 170.7991 59 Q 3.3940 8.2866 130.4999 55.0685 29.4669 172.4013 60 E 4.7536 8.2378 122.3781 54.0025 32.2355 176.7147 61 G 3.5668 8.3762 109.4212 47.8260 0.0000 174.0176 62 S 4.2448 7.8348 115.8829 58.0691 66.5887 175.0803 63 G 4.0933 8.9585 114.8857 45.6341 0.0000 171.0502 64 P 4.9294 0.0000 0.0000 63.9827 31.9707 177.2816 65 S 4.7237 7.6623 110.4322 56.3754 65.9928 172.6050 66 S 4.6637 8.5283 116.3855 56.8713 66.7769 174.5670 67 G 4.0413 8.8513 109.1049 46.1064 0.0000 173.8908 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 G 8.35 3.94 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 0.00 2 S 8.83 4.26 0.00 3.90 3.78 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 3 S 8.68 3.61 0.00 3.94 3.85 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 0.00 0.00 0.00 4 G 7.83 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 5 S 7.84 4.45 0.00 3.80 3.76 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 6 S 8.53 4.65 0.00 3.86 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 7 G 7.57 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.30 4.76 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 9 P 0.00 4.61 0.00 2.19 2.11 0.00 3.71 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 1.98 1.98 0.00 10 E 7.53 4.81 0.00 1.93 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 2.19 2.23 0.00 11 E 8.58 4.53 0.00 1.93 1.81 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 2.25 2.42 0.00 12 R 8.65 4.49 0.00 1.78 1.88 0.00 3.19 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 13 D 8.51 4.89 0.00 2.64 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 14 L 8.29 4.40 0.00 1.65 1.50 1.22 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.46 4.48 4.14 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 1.13 0.00 0.00 16 Q 8.52 3.95 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 17 E 8.18 3.77 0.00 1.94 1.80 0.00 0.00 0.00 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 2.40 0.00 18 Q 7.66 3.51 0.00 1.74 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 5.65 0.00 0.00 0.00 0.00 0.00 1.19 1.84 0.00 19 T 8.45 3.95 4.53 0.00 0.00 0.00 0.00 0.00 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 20 E 8.63 3.92 0.00 2.23 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 0.00 2.34 2.41 0.00 21 K 8.18 3.96 0.00 2.22 2.17 0.00 1.88 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.59 7.81 22 L 8.39 4.11 0.00 2.14 1.86 1.09 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.04 4.07 0.00 1.83 1.81 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.33 4.00 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 25 F 8.88 4.08 0.00 3.06 3.25 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 26 Q 9.03 4.16 0.00 2.39 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.57 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 27 D 8.14 4.26 0.00 2.87 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 28 L 8.33 3.86 0.00 1.65 1.56 1.03 1.10 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 29 T 8.48 3.59 3.83 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 -0.28 0.00 0.00 30 G 8.35 4.09 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 0.00 0.00 0.00 31 I 7.42 3.87 1.85 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 1.28 0.50 0.97 0.00 0.00 32 E 8.58 4.11 0.00 1.92 1.95 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 2.25 2.32 0.00 33 S 7.87 4.17 0.00 3.94 3.85 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 0.00 0.00 0.00 34 M 8.91 3.91 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.75 0.00 35 D 8.23 4.35 0.00 2.74 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.05 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 37 C 8.27 4.47 0.00 3.25 3.04 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 38 R 8.37 3.18 0.00 1.76 1.95 0.00 3.41 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.08 0.00 39 H 8.78 4.00 0.00 3.33 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.17 3.79 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 1.28 0.00 0.00 41 L 7.41 3.58 0.00 0.80 0.53 0.34 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.62 3.59 0.00 2.01 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 2.19 2.57 0.00 43 Q 7.97 3.91 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 44 H 7.85 4.11 0.00 3.24 3.30 0.00 5.68 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 45 N 8.07 4.50 0.00 2.81 3.09 0.00 0.00 7.43 7.94 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 46 W 7.22 3.47 0.00 3.33 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 47 N 7.12 5.03 0.00 2.94 2.69 0.00 0.00 6.97 7.36 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 48 I 8.05 3.86 1.95 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 1.63 0.90 1.09 0.00 0.00 49 E 8.40 4.04 0.00 2.01 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 2.41 2.37 0.00 50 A 7.74 3.90 0.99 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 0.00 0.00 51 A 8.65 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 9.01 3.74 2.28 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 1.04 0.00 0.00 1.13 0.00 0.00 53 Q 7.52 3.93 0.00 2.39 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 54 D 8.84 3.94 0.00 2.83 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 55 R 8.08 3.97 0.00 2.01 2.21 0.00 3.37 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.64 0.00 56 L 8.23 4.09 0.00 1.58 1.70 0.93 1.05 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 57 N 8.77 4.55 0.00 2.73 2.94 0.00 0.00 7.17 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 58 E 7.59 4.28 0.00 2.01 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 2.32 2.31 0.00 59 Q 8.29 3.39 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.53 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 60 E 8.24 4.75 0.00 2.09 2.20 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 2.23 2.35 0.00 61 G 8.38 3.57 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 0.00 0.00 0.00 62 S 7.83 4.24 0.00 3.81 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 63 G 8.96 4.09 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 0.00 0.00 0.00 64 P 0.00 4.93 0.00 2.19 2.18 0.00 3.31 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.90 0.00 65 S 7.66 4.72 0.00 3.93 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 66 S 8.53 4.66 0.00 3.82 3.76 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 67 G 8.85 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 0.00 0.00 0.00