NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2878 8.3149 119.9985 56.5975 33.9793 174.4695 6 K 4.2828 8.6675 118.7401 52.6533 33.1315 174.8701 7 P 4.4522 0.0000 0.0000 62.8607 33.1241 175.9684 8 G 4.1565 8.9125 104.4519 45.4528 0.0000 172.4901 9 L 4.7357 8.5078 118.4105 52.6519 43.7041 176.1210 10 C 4.6993 8.4619 119.5686 56.2167 40.8348 172.1736 11 P 4.6785 0.0000 0.0000 61.2305 32.0467 174.2424 12 P 4.5642 0.0000 0.0000 63.0593 31.8893 175.9124 13 R 4.4750 7.9418 118.4194 53.6173 34.0582 173.2105 14 P 4.4295 0.0000 0.0000 62.6685 31.9363 176.9817 15 Q 4.1649 8.5247 118.8977 57.8367 29.0251 176.7537 16 K 4.6553 7.5777 115.5364 53.3500 34.7794 174.0576 17 P 4.4857 0.0000 0.0000 62.9772 32.1400 177.2458 18 C 4.8554 8.6530 116.3500 56.4787 41.2072 174.2980 19 V 4.1159 7.5135 119.0011 61.2152 33.5183 175.8089 20 K 4.8849 8.5099 122.7390 55.2227 33.3510 175.2309 21 E 4.6337 9.2583 127.9193 57.0286 30.3841 174.1102 22 C 4.8334 7.7851 111.7198 54.4176 44.2704 173.6963 23 K 4.1255 8.7388 122.9131 58.4347 32.5485 175.7495 24 N 4.9346 8.0298 113.8518 51.6570 40.4873 174.5518 25 D 4.5000 8.6970 116.8820 57.6432 40.8893 178.7263 26 D 4.5362 8.1433 117.7918 56.5347 41.0332 177.8444 27 S 4.2349 8.0524 115.0591 60.8809 63.0083 173.9254 28 C 4.8420 7.6693 117.0277 54.4200 43.0231 171.8590 29 P 4.5895 0.0000 0.0000 63.3728 32.8259 177.8263 30 G 3.6721 8.1573 109.0021 47.4010 0.0000 174.9686 31 Q 4.3697 8.7700 122.0799 56.3124 29.0558 175.9914 32 Q 4.3946 8.0316 118.6870 56.3329 29.4443 175.8143 33 K 4.6698 8.8665 121.8539 54.8840 35.4040 175.1214 34 C 4.9051 9.2836 124.3611 56.1497 44.0616 171.7957 35 C 4.8508 9.1821 125.2491 55.0807 42.0590 172.7879 36 N 5.2284 8.3796 122.6465 52.3826 39.9260 174.1416 37 Y 4.7946 8.9531 123.4443 58.0222 41.0912 176.2602 38 G 4.1335 9.3131 111.1418 45.0162 0.0000 173.0588 39 C 4.5439 9.5630 119.9790 55.5713 43.1618 173.2520 40 K 4.9881 7.8880 122.6661 54.8381 34.9499 173.9957 41 D 5.4562 9.0213 126.7561 52.5954 43.6042 174.6961 42 E 5.1098 9.2942 124.4167 54.3279 33.4820 173.8683 43 C 5.1009 9.2822 124.5665 57.1926 41.6636 173.4128 44 R 4.8729 9.0307 121.8409 54.1436 34.5703 174.3765 45 D 4.7235 8.6911 122.4468 53.8810 41.3109 174.7013 46 P 4.5799 0.0000 0.0000 62.5855 33.1149 175.3549 47 I 4.1195 8.5556 122.0686 59.9843 38.7070 174.9284 48 F 5.0932 8.3808 126.2549 56.5113 40.2136 176.6621 49 V 3.9726 8.7241 123.9518 61.8166 30.2102 175.9747 50 G 3.7689 8.2430 114.0420 45.3707 0.0000 170.3512 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 5 K 8.31 4.29 0.00 2.06 1.92 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.49 7.81 6 K 8.67 4.28 0.00 1.80 1.83 0.00 1.88 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.46 7.81 7 P 0.00 4.45 0.00 2.24 2.08 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.94 0.00 8 G 8.91 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 9 L 8.51 4.74 0.00 1.65 1.57 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 10 C 8.46 4.70 0.00 2.91 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.68 0.00 2.18 2.03 0.00 3.88 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 12 P 0.00 4.56 0.00 2.20 2.12 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 13 R 7.94 4.47 0.00 0.67 1.21 0.00 3.19 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.00 0.00 14 P 0.00 4.43 0.00 2.12 1.93 0.00 3.48 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 15 Q 8.52 4.16 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 16 K 7.58 4.66 0.00 1.70 1.69 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.39 7.81 17 P 0.00 4.49 0.00 2.17 2.04 0.00 3.72 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 18 C 8.65 4.86 0.00 2.99 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 19 V 7.51 4.12 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 0.81 0.00 0.00 0.94 0.00 0.00 20 K 8.51 4.88 0.00 1.75 1.74 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.30 1.58 7.81 21 E 9.26 4.63 0.00 1.88 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 2.29 2.40 0.00 22 C 7.79 4.83 0.00 3.04 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 23 K 8.74 4.13 0.00 1.73 1.86 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.41 7.81 24 N 8.03 4.93 0.00 2.95 2.88 0.00 0.00 7.06 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 25 D 8.70 4.50 0.00 2.77 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 26 D 8.14 4.54 0.00 2.84 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 27 S 8.05 4.23 0.00 3.96 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 28 C 7.67 4.84 0.00 3.28 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 29 P 0.00 4.59 0.00 2.22 2.18 0.00 3.98 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 30 G 8.16 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 31 Q 8.77 4.37 0.00 2.37 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 32 Q 8.03 4.39 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 33 K 8.87 4.67 0.00 1.68 1.77 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.37 7.81 34 C 9.28 4.91 0.00 3.07 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 35 C 9.18 4.85 0.00 3.11 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.38 5.23 0.00 2.73 2.55 0.00 0.00 6.95 7.54 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 37 Y 8.95 4.79 0.00 2.93 2.87 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 38 G 9.31 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 0.00 0.00 0.00 39 C 9.56 4.54 0.00 3.13 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.89 4.99 0.00 2.01 1.79 0.00 1.66 0.00 0.00 2.02 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.54 1.63 7.81 41 D 9.02 5.46 0.00 2.66 2.55 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 0.00 42 E 9.29 5.11 0.00 2.08 1.92 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 2.23 2.39 0.00 43 C 9.28 5.10 0.00 2.91 3.22 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 44 R 9.03 4.87 0.00 1.70 1.77 0.00 3.27 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.91 0.00 45 D 8.69 4.72 0.00 2.50 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 46 P 0.00 4.58 0.00 1.67 1.94 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 2.06 0.00 47 I 8.56 4.12 1.82 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 1.15 0.50 0.90 0.00 0.00 48 F 8.38 5.09 0.00 2.95 2.79 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 49 V 8.72 3.97 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 0.80 0.00 0.00 0.98 0.00 0.00 50 G 8.24 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00