NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0368 8.3549 109.7561 45.4902 0.0000 173.0277 2 S 4.5924 8.5068 118.5103 54.6101 64.8626 172.2695 3 S 4.6338 9.9730 118.6487 56.7619 64.6876 172.7669 4 G 4.3259 8.5911 121.8793 44.8650 0.0000 173.3392 5 S 4.2394 7.7725 118.6921 60.5259 63.6847 175.3057 6 S 4.7692 7.6456 113.6472 56.1574 66.2634 174.3551 7 G 3.9315 8.8073 113.1455 48.1190 0.0000 172.9039 8 Y 4.8192 7.1615 114.7145 56.4146 40.3120 173.1728 9 T 4.4387 8.4262 115.4598 61.7201 72.7711 173.2939 10 C 4.0818 8.2958 124.1211 60.1555 31.3905 174.2319 11 F 4.3425 8.9298 128.5754 59.2437 38.8772 176.0199 12 R 4.1898 7.6269 120.0813 58.5470 30.3479 176.4456 13 C 4.4313 8.0006 111.7990 58.0474 31.1676 174.5357 14 G 3.6945 8.3559 108.0103 45.8068 0.0000 173.2854 15 K 4.5153 7.8584 117.7318 53.2033 35.3611 175.2512 16 P 4.2673 0.0000 0.0000 62.7453 32.4315 175.7878 17 G 4.0796 9.2573 106.0795 45.5345 0.0000 172.8435 18 H 5.1237 7.4958 112.7257 53.8980 32.0579 171.7839 19 Y 5.1325 7.4682 116.9945 54.7816 40.0722 176.2825 20 I 3.8150 8.7202 121.1847 64.4864 38.1322 178.1455 21 K 4.0404 8.3161 118.3662 58.6937 32.1167 177.0536 22 N 4.5321 7.8506 115.3297 52.9207 39.0108 173.9589 23 C 4.1194 7.3956 117.9697 58.1956 32.4136 172.7310 24 P 4.2117 0.0000 0.0000 66.0417 31.4908 178.5180 25 T 3.4630 7.7771 109.5013 64.1287 68.5460 175.1136 26 N 4.0117 7.4552 117.9044 56.1922 38.8260 176.5788 27 G 4.0451 7.8526 105.9073 44.6080 0.0000 173.2626 28 D 4.7824 7.7582 116.7486 52.8580 45.6764 176.2943 29 K 4.2127 8.8724 122.1058 58.2491 32.8291 176.7327 30 N 4.7369 8.1452 119.6964 51.6567 39.2563 172.9439 31 F 5.0415 7.6681 119.6543 54.2336 41.2431 173.9040 32 E 4.2761 8.6944 119.2994 56.0928 30.3042 175.9183 33 S 4.6473 8.1589 114.1095 57.8305 66.3420 176.0045 34 G 3.6735 8.6232 110.9506 46.1662 0.0000 170.7954 35 P 4.3280 0.0000 0.0000 65.5620 31.5455 176.0900 36 R 4.5791 7.2689 114.4769 54.3326 34.0684 174.7009 37 I 3.8005 8.1903 118.3025 63.5535 38.1529 176.0537 38 K 4.2619 7.8565 119.9524 55.6792 32.8068 176.0329 39 K 4.2580 8.7016 124.9719 57.9261 32.9973 176.0453 40 S 4.6356 7.4959 109.4836 57.7291 65.6171 174.1476 41 T 4.2492 8.7486 110.8650 62.2287 69.2584 177.6635 42 G 5.2746 6.9237 124.2487 45.6862 0.0000 171.8386 43 I 4.7060 7.3884 111.9576 57.7606 40.8139 173.5418 44 P 4.3698 0.0000 0.0000 65.3364 31.4853 177.2026 45 R 4.4631 7.5683 114.4125 54.8766 31.6693 173.8158 46 S 4.3653 8.8486 118.0960 59.9700 63.5391 174.5764 47 F 4.3888 8.1854 117.5473 59.3790 39.8244 178.0074 48 M 3.9066 8.3414 118.9392 58.2316 31.8311 176.0525 49 M 4.2377 7.7631 117.7930 55.0387 31.4362 174.9795 50 E 4.5922 8.4916 123.0510 55.7932 30.2992 176.5643 51 V 3.7828 7.5803 113.2463 61.5384 32.1821 175.3856 52 K 4.6075 8.3763 124.1066 54.4467 34.6500 174.6929 53 D 4.7981 8.3428 123.4105 51.6747 43.5895 174.5116 54 P 4.3528 0.0000 0.0000 64.4706 31.8863 175.7663 55 N 4.5409 7.4779 122.8790 53.6418 39.0441 173.4789 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 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 2 S 8.51 4.59 0.00 3.96 3.80 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 0.00 0.00 0.00 3 S 9.97 4.63 0.00 3.95 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 4 G 8.59 4.33 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 0.00 5 S 7.77 4.24 0.00 3.85 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 6 S 7.65 4.77 0.00 3.77 3.65 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 7 G 8.81 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 8 Y 7.16 4.82 0.00 3.03 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 9 T 8.43 4.44 4.29 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 1.23 0.00 0.00 10 C 8.30 4.08 0.00 3.01 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 11 F 8.93 4.34 0.00 3.08 3.09 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 12 R 7.63 4.19 0.00 1.88 1.88 0.00 3.27 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 13 C 8.00 4.43 0.00 3.21 3.18 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 0.00 0.00 0.00 0.00 14 G 8.36 3.69 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 0.00 0.00 0.00 15 K 7.86 4.52 0.00 1.81 1.70 0.00 1.69 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.36 7.81 16 P 0.00 4.27 0.00 2.12 2.11 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 17 G 9.26 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 18 H 7.50 5.12 0.00 2.97 3.18 0.00 5.53 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.47 5.13 0.00 3.18 3.10 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 20 I 8.72 3.81 2.04 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.39 1.01 0.00 0.00 21 K 8.32 4.04 0.00 2.09 1.97 0.00 1.89 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.72 7.81 22 N 7.85 4.53 0.00 1.46 1.42 0.00 0.00 6.79 7.39 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 23 C 7.40 4.12 0.00 3.18 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.21 0.00 2.14 2.15 0.00 3.48 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 25 T 7.78 3.46 2.80 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 0.00 0.00 1.03 0.00 0.00 26 N 7.46 4.01 0.00 2.87 2.88 0.00 0.00 7.11 7.71 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 27 G 7.85 4.05 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 0.00 0.00 0.00 28 D 7.76 4.78 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.87 4.21 0.00 1.79 1.90 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.39 7.81 30 N 8.15 4.74 0.00 2.62 2.74 0.00 0.00 6.74 7.02 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 31 F 7.67 5.04 0.00 3.16 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 32 E 8.69 4.28 0.00 2.11 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 0.00 2.36 2.32 0.00 33 S 8.16 4.65 0.00 3.78 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.62 3.67 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 0.00 0.00 0.00 35 P 0.00 4.33 0.00 2.18 2.17 0.00 3.76 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 1.97 0.00 36 R 7.27 4.58 0.00 1.76 1.84 0.00 3.20 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 37 I 8.19 3.80 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 1.40 0.73 0.90 0.00 0.00 38 K 7.86 4.26 0.00 1.78 1.73 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.36 7.81 39 K 8.70 4.26 0.00 1.70 1.81 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.40 7.81 40 S 7.50 4.64 0.00 3.98 3.79 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 0.00 0.00 0.00 41 T 8.75 4.25 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 42 G 6.92 5.27 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 0.00 0.00 0.00 0.00 43 I 7.39 4.71 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.80 0.92 0.00 0.00 44 P 0.00 4.37 0.00 2.21 2.22 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 45 R 7.57 4.46 0.00 1.92 1.94 0.00 3.03 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 46 S 8.85 4.37 0.00 3.92 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 0.00 47 F 8.19 4.39 0.00 3.16 3.10 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 48 M 8.34 3.91 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.67 0.00 49 M 7.76 4.24 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 50 E 8.49 4.59 0.00 2.11 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 2.19 2.25 0.00 51 V 7.58 3.78 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 0.77 0.00 0.00 0.92 0.00 0.00 52 K 8.38 4.61 0.00 1.65 1.62 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.38 7.81 53 D 8.34 4.80 0.00 2.72 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.21 2.16 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 55 N 7.48 4.54 0.00 2.82 2.66 0.00 0.00 7.01 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00