NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1755 8.1585 120.3367 55.4902 34.6843 177.6016 2 A 3.8111 8.1545 121.9165 54.3404 18.6841 177.8325 3 K 3.8518 9.1532 117.2635 59.7677 33.2804 176.5537 4 E 3.7380 8.3575 117.3151 58.0759 29.4898 177.8798 5 F 4.5770 7.7794 114.8359 56.0440 41.2144 175.9436 6 G 3.7548 7.9730 107.8664 46.2925 0.0000 173.2186 7 I 4.2639 7.6186 120.5328 58.6151 38.2386 174.8338 8 P 4.3206 0.0000 0.0000 62.6506 33.1058 177.0387 9 A 4.0115 8.7483 122.7629 55.5261 17.8649 180.0963 10 A 3.9717 7.9440 118.6435 55.1481 18.4646 179.9674 11 V 3.4182 7.7224 116.0988 65.9862 31.6835 177.9843 12 A 4.0628 8.0175 120.5647 55.3345 18.3806 179.7293 13 G 3.7005 8.1770 104.0817 48.3169 0.0000 175.9863 14 T 3.8753 7.4930 117.4728 66.5841 68.6469 176.7151 15 V 3.6172 7.8827 120.1960 66.3391 31.4073 178.1061 16 L 4.0995 8.3329 118.7557 57.6944 41.4762 179.1006 17 N 4.3201 8.2840 116.6188 56.3765 38.3807 177.6175 18 V 3.6127 7.9531 119.6427 65.8215 31.5550 178.0154 19 V 3.6030 7.6549 117.8469 66.1125 31.2271 177.8157 20 E 4.2049 8.3637 117.9272 59.0991 29.4636 178.5308 21 A 4.3410 8.0346 118.3687 51.5288 18.8879 177.2322 22 G 3.7946 8.5095 105.8310 46.3974 0.0000 174.8207 23 G 3.8166 8.0679 108.1485 43.9222 0.0000 174.4982 24 W 4.5252 8.3867 119.4228 56.6769 29.7696 177.7975 25 V 3.6886 8.7880 122.1362 66.5110 30.8674 178.4886 26 T 3.9426 8.0211 108.6983 64.6795 68.5124 176.6461 27 T 4.0007 8.1622 119.1585 66.5686 68.6101 176.7816 28 I 3.7063 7.8040 121.2495 64.4916 37.1808 178.4804 29 V 3.6282 8.1877 119.5713 65.9796 31.3589 178.2648 30 S 4.1688 8.4200 114.2851 61.3553 63.0305 176.5116 31 I 3.6984 8.0424 123.6470 64.2688 36.9147 178.4735 32 L 4.0489 8.0844 119.7303 57.9378 41.3651 179.7777 33 T 3.8696 8.1322 115.7044 66.5757 68.1821 176.6651 34 A 4.0401 7.8781 121.6187 55.0048 18.4565 179.5567 35 V 3.6566 7.4796 115.4452 66.2845 32.1958 177.0110 36 G 3.9375 8.3777 105.3405 44.7515 0.0000 174.7756 37 S 4.2377 8.7289 113.0214 61.3013 63.2465 176.6403 38 G 3.9324 7.6923 110.4587 46.7297 0.0000 175.6434 39 G 4.1433 8.0713 109.2509 46.7018 0.0000 175.7881 40 L 3.9580 7.9157 121.0313 57.8633 41.5320 179.7847 41 S 4.1503 8.2735 114.8722 61.4798 62.5787 176.4239 42 L 3.1270 7.2515 121.3658 57.6850 42.0950 178.6061 43 L 3.9844 8.0490 118.9629 57.8796 41.6306 179.1778 44 A 3.9149 8.2890 120.5710 55.4014 18.0688 179.3516 45 A 3.9302 7.9958 117.9066 55.3587 18.2793 179.3520 46 A 2.7842 7.5926 118.1239 51.2489 18.4917 179.0939 47 G 3.7530 8.0280 105.3253 47.2163 0.0000 175.8480 48 R 4.3473 8.6664 123.4539 55.7995 30.4793 176.2215 49 E 4.2211 7.5494 117.1051 55.6487 30.2344 177.5962 50 S 4.3033 8.4113 116.4511 58.5188 65.0071 175.4175 51 I 3.7496 8.3427 123.0268 63.8791 37.6946 178.3488 52 K 3.9405 8.0816 120.1110 59.4664 32.1362 178.1862 53 A 4.0269 8.2157 121.2684 55.5146 18.3119 179.0649 54 Y 4.0397 8.3142 117.7474 61.0428 39.0054 178.1328 55 L 3.8591 8.4505 120.3659 57.3671 41.7008 179.1131 56 K 3.7964 8.4285 120.2104 59.6747 31.7798 178.6836 57 K 3.9073 7.7902 119.3376 59.4381 32.0743 178.6894 58 E 3.6384 7.7463 118.7464 59.2829 29.1794 179.4401 59 I 3.6916 7.8005 119.9374 63.9946 36.9712 178.0862 60 K 3.7745 7.8389 119.7053 59.1808 31.9465 177.9776 61 K 4.1350 7.3749 118.0575 58.0617 32.6920 177.8436 62 K 4.3068 8.0133 116.0210 54.6099 33.7211 177.1138 63 G 4.1626 7.7781 106.6718 45.3076 0.0000 174.4232 64 K 3.8315 8.7196 120.4624 60.2077 32.1304 179.1242 65 R 3.8763 8.0030 118.9862 59.1058 30.0365 178.2364 66 A 4.0858 7.9515 120.0523 55.0660 18.2085 179.6116 67 V 3.8220 7.5815 115.7800 66.1160 31.8570 178.0707 68 I 3.9344 8.0549 119.4826 64.4137 36.9949 178.2645 69 A 4.0619 8.1423 121.6454 54.7682 18.1994 177.2982 70 W 4.3469 8.8530 132.0516 57.7647 30.8234 175.5150 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 8.16 4.18 0.00 2.10 2.48 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.49 0.00 2 A 8.15 3.81 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 3 K 9.15 3.85 0.00 1.83 1.84 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.42 7.81 4 E 8.36 3.74 0.00 1.16 1.12 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 2.25 2.31 0.00 5 F 7.78 4.58 0.00 3.10 3.07 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 6 G 7.97 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 7 I 7.62 4.26 1.87 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 1.40 0.65 0.91 0.00 0.00 8 P 0.00 4.32 0.00 2.15 1.99 0.00 3.61 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 9 A 8.75 4.01 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 10 A 7.94 3.97 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 11 V 7.72 3.42 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 1.04 0.00 0.00 0.93 0.00 0.00 12 A 8.02 4.06 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 13 G 8.18 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.49 3.88 4.46 0.00 0.00 0.00 0.00 0.00 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 15 V 7.88 3.62 2.27 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 1.06 0.00 0.00 0.99 0.00 0.00 16 L 8.33 4.10 0.00 1.74 1.72 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.28 4.32 0.00 2.94 2.86 0.00 0.00 6.61 6.98 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 18 V 7.95 3.61 2.24 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 1.07 0.00 0.00 0.99 0.00 0.00 19 V 7.65 3.60 2.26 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 0.91 0.00 0.00 1.03 0.00 0.00 20 E 8.36 4.20 0.00 1.98 2.01 0.00 0.00 0.00 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 2.47 0.00 21 A 8.03 4.34 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 22 G 8.51 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 0.00 0.00 0.00 23 G 8.07 3.82 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 0.00 0.00 0.00 24 W 8.39 4.53 0.00 3.41 3.02 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 0.00 0.00 0.00 25 V 8.79 3.69 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 1.21 0.00 0.00 0.97 0.00 0.00 26 T 8.02 3.94 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 1.18 0.00 0.00 27 T 8.16 4.00 4.54 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 1.20 0.00 0.00 28 I 7.80 3.71 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.79 0.95 0.00 0.00 29 V 8.19 3.63 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 1.05 0.00 0.00 1.02 0.00 0.00 30 S 8.42 4.17 0.00 4.11 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 31 I 8.04 3.70 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.91 0.92 0.00 0.00 32 L 8.08 4.05 0.00 1.76 1.68 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.13 3.87 4.55 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 1.21 0.00 0.00 34 A 7.88 4.04 1.40 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 0.00 0.00 0.00 35 V 7.48 3.66 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 0.84 0.00 0.00 0.99 0.00 0.00 36 G 8.38 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 37 S 8.73 4.24 0.00 4.07 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 0.00 38 G 7.69 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 39 G 8.07 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 0.00 0.00 0.00 0.00 40 L 7.92 3.96 0.00 1.83 1.74 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.27 4.15 0.00 4.07 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 42 L 7.25 3.13 0.00 0.74 1.50 0.45 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.05 3.98 0.00 1.86 1.65 0.90 1.13 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 44 A 8.29 3.91 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 45 A 8.00 3.93 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 46 A 7.59 2.78 0.96 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 0.00 0.00 0.00 0.00 0.00 47 G 8.03 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 48 R 8.67 4.35 0.00 1.81 1.97 0.00 3.21 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 49 E 7.55 4.22 0.00 2.27 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 2.40 2.30 0.00 50 S 8.41 4.30 0.00 4.07 4.02 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 0.00 0.00 0.00 51 I 8.34 3.75 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.95 0.00 0.00 52 K 8.08 3.94 0.00 1.92 1.83 0.00 1.84 0.00 0.00 2.02 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.55 7.81 53 A 8.22 4.03 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.31 4.04 0.00 3.12 3.19 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 55 L 8.45 3.86 0.00 1.82 1.74 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.43 3.80 0.00 2.08 1.88 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 57 K 7.79 3.91 0.00 1.88 1.84 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.39 7.81 58 E 7.75 3.64 0.00 1.93 1.50 0.00 0.00 0.00 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 1.60 0.00 59 I 7.80 3.69 1.95 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 1.40 0.76 0.97 0.00 0.00 60 K 7.84 3.77 0.00 1.87 1.89 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 61 K 7.37 4.13 0.00 1.69 1.84 0.00 1.72 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.23 1.35 7.81 62 K 8.01 4.31 0.00 1.65 1.74 0.00 1.46 0.00 0.00 1.49 0.00 0.00 2.69 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.20 1.35 7.81 63 G 7.78 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.72 3.83 0.00 2.00 2.12 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.54 7.81 65 R 8.00 3.88 0.00 1.91 1.98 0.00 3.19 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 66 A 7.95 4.09 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 67 V 7.58 3.82 2.27 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 1.11 0.00 0.00 0.89 0.00 0.00 68 I 8.05 3.93 2.09 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 1.51 0.67 0.95 0.00 0.00 69 A 8.14 4.06 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 W 8.85 4.35 0.00 3.36 3.38 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