NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 N 4.6635 8.5245 118.1257 53.2187 38.8180 173.1311 11 V 4.2340 7.9309 119.9018 58.0942 34.1927 172.7966 12 Q 4.3461 9.1642 124.9006 54.4250 30.6458 175.7527 13 R 4.2327 8.2772 118.9542 55.3012 32.1495 175.9467 14 P 4.1836 0.0000 0.0000 66.3658 31.1851 179.0795 15 L 3.9736 7.8128 115.2595 57.4604 41.8362 178.7184 16 D 4.6241 8.0752 118.4107 56.8398 41.1214 178.3473 17 A 4.2895 8.4006 123.0839 54.4045 18.2475 179.3486 18 L 3.8640 7.9301 119.1633 58.0605 41.9111 179.3459 19 G 3.9490 8.1235 105.8139 47.7902 0.0000 174.9392 20 N 4.6377 8.1405 116.9040 54.9592 38.8605 175.7613 21 S 4.6531 7.9882 116.0266 57.9040 63.7289 174.1056 22 L 4.3884 7.5332 121.1863 56.2876 41.7363 176.8228 23 N 4.3268 9.2813 118.7781 54.0471 36.9035 174.1115 24 S 5.0264 7.9062 114.8084 56.0664 65.8009 171.8317 25 P 4.9526 0.0000 0.0000 63.0086 32.5158 175.6259 26 V 4.7836 9.0576 114.4653 60.0653 37.0039 173.9745 27 I 4.9743 8.8898 122.9795 59.7993 39.8324 174.7876 28 I 4.8697 9.0272 128.5464 59.2963 39.9431 174.4193 29 K 4.5488 8.3470 128.2012 54.5398 34.3440 175.3563 30 L 5.0124 8.5604 127.1180 52.5658 44.8975 176.0690 31 K 4.2246 8.9433 121.1164 57.9215 32.1545 178.0453 32 G 3.9214 8.9539 111.7268 44.7699 0.0000 173.7888 33 D 4.5775 7.9892 117.9034 54.4383 38.9818 174.0212 34 R 4.1039 7.6691 120.3965 56.2506 31.3680 174.7997 35 E 5.1422 8.1202 125.6333 54.4791 33.3241 174.4098 36 F 5.3740 9.1656 122.7892 55.7284 43.8811 173.9107 37 R 5.1196 8.8260 117.2170 54.5325 33.2375 174.4704 38 G 4.2662 8.1428 106.7817 46.4074 0.0000 171.5281 39 V 4.6278 8.1783 120.6413 61.4548 33.1279 174.8444 40 L 4.4191 8.8750 131.0798 55.3695 42.2544 176.9934 41 K 4.4854 9.0442 127.0349 58.2696 33.6796 176.5787 42 S 4.6896 7.7621 112.1789 58.1101 66.0114 173.8103 43 F 5.8257 7.9338 114.0287 57.4416 40.5212 172.1509 44 D 4.9397 8.4379 117.6990 51.4143 42.3060 176.0449 45 L 4.1211 8.4691 117.6267 57.8129 41.6627 178.0705 46 H 4.4507 8.3316 114.6127 56.4166 29.1300 176.0703 47 M 3.4129 8.3366 118.2104 55.6030 31.3995 175.9370 48 N 4.8432 8.4651 114.7206 53.3972 39.8468 174.1037 49 L 5.3468 8.8842 121.1330 53.0249 46.7054 175.4368 50 V 4.8486 8.7808 121.2971 61.1511 34.2675 174.3026 51 L 5.3331 8.9304 127.2554 53.1313 45.1989 175.4373 52 N 5.0408 9.4304 120.1556 51.7572 41.4779 174.3575 53 D 4.5100 8.5785 117.4172 55.3307 38.8832 174.0727 54 A 4.8515 8.2187 119.9825 51.8976 20.3147 177.6531 55 E 5.0723 9.1222 117.6992 54.7347 33.7473 173.8513 56 E 4.2599 9.4255 123.4767 55.2642 30.9636 174.8095 57 L 5.1777 8.3969 126.2787 53.0128 45.2801 175.8247 58 E 4.3910 8.8137 123.2602 55.6463 31.3389 174.7985 59 D 4.2758 9.2661 128.3448 55.6586 37.8645 175.2684 60 G 3.8816 8.3831 104.1585 45.7672 0.0000 173.2624 61 E 4.5201 7.5692 120.8439 53.7876 31.5707 175.2039 62 V 4.1657 8.2859 125.7699 62.9192 31.4991 175.4717 63 T 4.4199 8.5460 118.3148 62.3458 70.0451 175.0291 64 R 4.5143 7.6195 121.5686 55.4692 33.7472 173.2932 65 R 4.7584 8.7208 125.5556 55.0334 30.8652 175.7973 66 L 4.4599 9.0811 124.4079 52.7687 43.7824 178.2855 67 G 3.9928 8.3771 107.5022 46.4537 0.0000 175.4491 68 T 5.1053 8.5701 121.0295 61.8898 69.4881 173.1446 69 V 4.5302 8.8300 125.1161 59.7430 35.4002 173.9849 70 L 4.9913 8.4826 124.0682 53.5392 43.9658 175.1942 71 I 4.3389 8.4849 127.7613 59.1614 39.9199 175.2947 72 R 4.4526 8.5109 127.7522 55.7804 30.9235 177.3930 73 G 3.8782 9.8645 114.9786 47.9764 0.0000 174.7456 74 D 4.5654 7.9961 117.3024 54.9595 39.7478 176.6497 75 N 4.5571 8.0223 117.2659 54.5825 39.1068 175.0850 76 I 4.2088 7.3681 119.8965 61.3190 37.8208 175.4172 77 V 4.2183 8.8646 126.2485 64.5897 32.1032 175.1948 78 Y 5.0363 7.1714 116.2163 55.7525 41.8490 173.0041 79 I 5.0727 8.5094 120.0132 59.7439 40.1262 174.9220 80 S 4.6945 9.8290 122.4988 56.9154 65.1221 173.1184 81 R 4.3847 8.7076 121.8465 57.8912 32.3522 179.5488 82 G 3.9698 8.0331 106.4611 45.5432 0.0000 172.9718 83 K 4.0970 8.9964 127.7026 56.2536 32.1391 176.3125 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 10 N 8.52 4.66 0.00 2.71 2.88 0.00 0.00 6.67 6.79 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 11 V 7.93 4.23 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 0.75 0.00 0.00 0.93 0.00 0.00 12 Q 9.16 4.35 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.00 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 13 R 8.28 4.23 0.00 1.83 1.85 0.00 3.33 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 14 P 0.00 4.18 0.00 2.13 2.10 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 15 L 7.81 3.97 0.00 1.64 1.82 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.08 4.62 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.40 4.29 1.34 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 0.00 0.00 0.00 0.00 0.00 18 L 7.93 3.86 0.00 1.54 0.67 0.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.12 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 0.00 0.00 0.00 20 N 8.14 4.64 0.00 2.81 2.90 0.00 0.00 6.93 7.04 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 21 S 7.99 4.65 0.00 4.00 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 22 L 7.53 4.39 0.00 1.69 1.66 0.94 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.28 4.33 0.00 2.85 2.96 0.00 0.00 6.89 7.51 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 24 S 7.91 5.03 0.00 3.98 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 25 P 0.00 4.95 0.00 2.10 2.06 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 26 V 9.06 4.78 2.13 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 0.89 0.00 0.00 1.05 0.00 0.00 27 I 8.89 4.97 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.37 1.08 0.00 0.00 28 I 9.03 4.87 1.99 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 1.18 0.98 0.89 0.00 0.00 29 K 8.35 4.55 0.00 0.79 0.74 0.00 1.51 0.00 0.00 1.49 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.93 1.12 7.81 30 L 8.56 5.01 0.00 1.69 1.67 0.97 0.74 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 31 K 8.94 4.22 0.00 1.70 1.75 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.59 7.81 32 G 8.95 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 33 D 7.99 4.58 0.00 2.87 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 34 R 7.67 4.10 0.00 1.94 1.94 0.00 3.49 0.00 0.00 3.61 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 35 E 8.12 5.14 0.00 1.80 1.73 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 2.12 2.32 0.00 36 F 9.17 5.37 0.00 3.04 2.92 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 37 R 8.83 5.12 0.00 1.88 2.00 0.00 2.86 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 38 G 8.14 4.27 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 39 V 8.18 4.63 2.10 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 0.76 0.00 0.00 0.95 0.00 0.00 40 L 8.88 4.42 0.00 1.86 1.75 1.06 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.04 4.49 0.00 1.76 1.84 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.62 1.68 7.81 42 S 7.76 4.69 0.00 3.71 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 43 F 7.93 5.83 0.00 3.13 3.06 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 0.00 0.00 0.00 44 D 8.44 4.94 0.00 2.86 2.78 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 45 L 8.47 4.12 0.00 1.59 1.74 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.33 4.45 0.00 3.44 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.34 3.41 0.00 2.18 2.26 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 2.44 2.47 0.00 48 N 8.47 4.84 0.00 3.01 2.74 0.00 0.00 6.78 6.28 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 49 L 8.88 5.35 0.00 1.55 1.53 0.91 0.63 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 50 V 8.78 4.85 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 1.03 0.00 0.00 0.93 0.00 0.00 51 L 8.93 5.33 0.00 1.59 1.53 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.43 5.04 0.00 2.67 2.72 0.00 0.00 7.00 7.98 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 53 D 8.58 4.51 0.00 2.79 2.73 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 54 A 8.22 4.85 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 55 E 9.12 5.07 0.00 2.09 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 2.21 2.25 0.00 56 E 9.43 4.26 0.00 1.88 1.69 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 1.90 1.47 0.00 57 L 8.40 5.18 0.00 1.41 1.43 0.91 0.49 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 58 E 8.81 4.39 0.00 1.85 1.71 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 0.00 2.16 2.22 0.00 59 D 9.27 4.28 0.00 2.83 2.75 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 60 G 8.38 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 61 E 7.57 4.52 0.00 1.92 1.99 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 2.18 2.19 0.00 62 V 8.29 4.17 2.07 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 0.89 0.00 0.00 0.92 0.00 0.00 63 T 8.55 4.42 4.20 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 1.16 0.00 0.00 64 R 7.62 4.51 0.00 1.86 1.75 0.00 3.17 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 65 R 8.72 4.76 0.00 1.73 1.87 0.00 3.24 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 66 L 9.08 4.46 0.00 1.58 1.75 1.17 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.38 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 0.00 0.00 0.00 68 T 8.57 5.11 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 1.28 0.00 0.00 69 V 8.83 4.53 2.07 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 0.67 0.00 0.00 0.80 0.00 0.00 70 L 8.48 4.99 0.00 1.62 1.55 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.48 4.34 1.74 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.52 0.73 0.00 0.00 72 R 8.51 4.45 0.00 1.80 1.76 0.00 3.15 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.73 0.00 73 G 9.86 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 74 D 8.00 4.57 0.00 2.79 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 0.00 75 N 8.02 4.56 0.00 2.89 2.87 0.00 0.00 6.90 6.61 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 76 I 7.37 4.21 1.99 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 1.14 0.43 0.92 0.00 0.00 77 V 8.86 4.22 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 0.85 0.00 0.00 0.90 0.00 0.00 78 Y 7.17 5.04 0.00 2.99 3.01 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 0.00 0.00 0.00 79 I 8.51 5.07 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.70 0.92 0.00 0.00 80 S 9.83 4.69 0.00 3.75 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 81 R 8.71 4.38 0.00 1.84 1.88 0.00 3.38 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.53 0.00 82 G 8.03 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 83 K 9.00 4.10 0.00 1.58 1.71 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.43 7.81