NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5391 8.3049 120.6179 54.6264 32.2406 174.5075 2 K 3.9041 8.1290 121.9062 55.8709 34.1313 170.6416 3 V 4.9071 10.0348 124.0929 61.5824 35.5505 174.4447 4 I 4.6717 8.4243 129.3683 59.6647 37.2364 173.7597 5 F 4.4376 9.3621 126.3965 57.3759 39.5411 176.2203 6 L 4.2874 9.8270 126.0807 57.6454 41.6583 176.9008 7 K 4.9881 7.9216 116.6879 54.0461 36.1760 174.8904 8 D 4.7906 8.3175 118.8841 53.6235 42.7172 174.7957 9 V 4.5824 7.4163 122.1186 62.4734 31.1323 177.7888 10 K 4.2241 8.5905 112.7327 56.0423 30.5254 177.7357 11 G 3.9573 8.0721 102.3232 46.3812 0.0000 172.4584 12 K 4.2281 7.0265 116.2225 57.4031 34.6317 177.2250 13 G 2.9852 7.0454 106.0912 45.0285 0.0000 171.9830 14 K 4.8767 8.9230 117.3705 53.1823 36.2218 176.0527 15 K 4.1231 9.1242 119.4665 58.6350 33.2521 177.7408 16 G 4.2492 8.0102 111.5909 44.9697 0.0000 174.5654 17 E 4.4446 8.2761 121.9632 55.1866 31.7746 175.9697 18 I 4.7099 8.2705 125.1285 60.1927 38.2188 174.8776 19 K 4.6412 9.3532 127.6121 55.2499 36.2511 173.7588 20 N 5.0446 8.7072 123.2752 51.7864 38.0289 175.1520 21 V 4.0186 8.1571 129.6885 61.3337 31.4082 176.7336 22 A 4.2270 8.8223 123.6135 52.4573 18.2589 178.2774 23 D 4.3790 8.4140 123.8742 57.2772 41.5497 179.2242 24 G 3.8834 8.0853 104.8903 46.3747 0.0000 174.7614 25 Y 4.2374 8.2596 121.1761 61.6212 38.6704 178.4522 26 A 2.5800 7.8077 121.0195 54.4358 18.4098 178.5510 27 N 4.7169 7.4924 112.9179 54.6516 39.3790 175.8230 28 N 4.9442 8.0196 116.4079 53.2210 39.0210 173.7086 29 F 5.3162 7.5803 122.9075 59.7138 47.2957 175.3096 30 L 3.8670 7.6398 120.2388 57.2129 41.9924 179.3201 31 F 5.1577 8.1836 116.7888 59.8148 39.1428 177.7238 32 K 4.5609 8.2101 115.0594 57.1843 32.5428 176.8772 33 Q 4.5238 8.0412 115.1479 55.6511 30.0685 176.0038 34 G 4.2393 8.4465 107.7393 45.5844 0.0000 174.1893 35 L 4.7303 7.9541 119.9548 55.6824 45.0197 176.7632 36 A 5.7822 8.6048 118.5171 50.9617 23.2680 174.6481 37 I 3.7042 7.7894 109.8835 58.1770 41.5637 174.3220 38 E 3.8760 6.9134 120.8326 56.4841 29.7564 176.2031 39 A 3.9505 8.8140 127.7973 52.7676 18.9352 176.5651 40 T 4.5947 8.2739 115.5984 58.9723 71.1556 172.3901 41 P 4.3488 0.0000 0.0000 66.6154 30.7275 178.4115 42 A 3.8940 7.6833 119.0326 54.2391 18.6212 178.1626 43 N 4.6012 7.7646 112.9111 55.4334 39.6458 177.2386 44 L 3.8592 8.2850 120.0688 58.0106 42.0036 179.1413 45 K 3.8846 8.0540 118.8706 59.6176 31.7865 178.1238 46 A 3.9406 8.0137 120.0688 55.6286 18.0024 179.1583 47 L 3.7893 7.5517 115.6806 57.8514 41.8698 179.1254 48 E 4.1564 8.7217 118.7142 58.7770 29.8697 177.9636 49 A 3.9331 7.9713 120.2751 55.5597 18.1747 179.3369 50 Q 3.9417 8.9609 115.9468 58.4095 28.7592 177.8469 51 K 4.3608 8.1845 118.0823 56.1236 32.2993 176.3107 52 Q 4.3767 8.4047 121.7651 55.4388 31.1538 172.7883 53 K 4.5028 8.9681 119.3134 56.7432 32.4136 178.4401 54 E 4.6082 9.2313 126.3925 55.2700 30.9214 174.8698 55 Q 4.6035 8.2446 119.2887 55.0410 31.1224 175.4058 56 R 4.1483 7.8912 124.0243 56.7376 30.2551 174.5118 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 4.54 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.85 0.00 2 K 8.13 3.90 0.00 1.85 1.76 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.55 1.51 7.81 3 V 10.03 4.91 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 0.73 0.00 0.00 0.82 0.00 0.00 4 I 8.42 4.67 1.92 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 1.23 0.70 0.87 0.00 0.00 5 F 9.36 4.44 0.00 3.08 3.20 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 0.00 0.00 0.00 6 L 9.83 4.29 0.00 1.63 1.91 0.98 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.92 4.99 0.00 1.78 1.77 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.43 7.81 8 D 8.32 4.79 0.00 2.67 2.54 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 0.00 9 V 7.42 4.58 1.93 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 1.07 0.00 0.00 0.61 0.00 0.00 10 K 8.59 4.22 0.00 1.93 1.74 0.00 1.81 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.52 7.81 11 G 8.07 3.96 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 0.00 12 K 7.03 4.23 0.00 1.65 1.55 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.26 1.31 7.81 13 G 7.05 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 0.00 0.00 0.00 14 K 8.92 4.88 0.00 1.81 1.62 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.34 7.81 15 K 9.12 4.12 0.00 1.88 1.84 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 16 G 8.01 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 0.00 0.00 0.00 0.00 17 E 8.28 4.44 0.00 2.07 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 18 I 8.27 4.71 1.89 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 1.23 0.48 0.92 0.00 0.00 19 K 9.35 4.64 0.00 1.75 1.64 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.52 7.81 20 N 8.71 5.04 0.00 2.77 2.82 0.00 0.00 6.09 7.69 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 21 V 8.16 4.02 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 0.10 0.00 0.00 -0.11 0.00 0.00 22 A 8.82 4.23 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.41 4.38 0.00 2.68 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 24 G 8.09 3.88 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 0.00 0.00 0.00 25 Y 8.26 4.24 0.00 2.95 3.08 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 26 A 7.81 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 7.49 4.72 0.00 2.86 2.88 0.00 0.00 7.36 8.97 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 28 N 8.02 4.94 0.00 2.83 2.86 0.00 0.00 6.71 7.34 0.00 0.00 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 F 7.58 5.32 0.00 2.85 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.64 3.87 0.00 1.02 0.87 -0.68 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.18 5.16 0.00 3.10 2.96 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 32 K 8.21 4.56 0.00 1.97 1.93 0.00 1.78 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.54 7.81 33 Q 8.04 4.52 0.00 2.40 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.54 0.00 0.00 0.00 0.00 0.00 2.43 2.66 0.00 34 G 8.45 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 0.00 0.00 0.00 0.00 35 L 7.95 4.73 0.00 1.32 1.73 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.60 5.78 0.67 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 37 I 7.79 3.70 1.44 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.47 0.73 0.00 0.00 38 E 6.91 3.88 0.00 1.93 1.90 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 1.88 2.10 0.00 39 A 8.81 3.95 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 40 T 8.27 4.59 4.19 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 1.14 0.00 0.00 41 P 0.00 4.35 0.00 2.28 2.30 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 42 A 7.68 3.89 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 43 N 7.76 4.60 0.00 2.65 2.77 0.00 0.00 6.96 6.65 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 44 L 8.28 3.86 0.00 1.54 1.75 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.05 3.88 0.00 1.83 1.91 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 46 A 8.01 3.94 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 47 L 7.55 3.79 0.00 1.75 1.77 0.95 0.86 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 48 E 8.72 4.16 0.00 2.02 2.04 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 2.26 2.35 0.00 49 A 7.97 3.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.96 3.94 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.04 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 51 K 8.18 4.36 0.00 1.83 1.82 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.73 1.47 7.81 52 Q 8.40 4.38 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 53 K 8.97 4.50 0.00 1.79 1.45 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.37 7.81 54 E 9.23 4.61 0.00 1.89 1.84 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 2.19 2.23 0.00 55 Q 8.24 4.60 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 56 R 7.89 4.15 0.00 1.68 1.71 0.00 3.31 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00