NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 L 4.2904 8.1844 120.6324 54.6332 43.2834 175.5590 14 S 4.4445 8.4499 117.9149 54.5065 63.3499 172.3882 15 P 4.3214 0.0000 0.0000 64.9862 32.0596 177.1484 16 Q 3.8888 7.6648 119.3902 58.1439 28.8607 175.8767 17 Y 4.7765 7.7870 113.3585 57.4569 39.4745 175.5395 18 N 4.7623 7.7484 120.3857 51.9894 39.5894 175.7166 19 W 4.2522 8.5928 117.5452 59.6207 28.0171 178.4059 20 V 2.8371 6.5119 118.3210 65.3780 31.0241 177.3338 21 A 3.8400 8.1289 120.5809 55.7449 18.1221 179.0949 22 C 4.4277 8.4686 114.9027 59.9113 40.7461 176.6527 23 G 3.5957 8.1960 107.5789 47.8805 0.0000 175.9276 24 I 3.7188 7.7562 122.4524 63.8620 37.1006 178.2519 25 L 3.9075 8.0010 121.2424 58.0312 41.8278 178.6144 26 E 4.0148 8.5202 119.5510 59.3035 29.5402 178.7697 27 G 3.8545 8.3704 106.0789 48.0137 0.0000 175.8062 28 G 3.5851 8.2908 108.1554 47.5231 0.0000 175.9240 29 L 4.0709 8.0965 121.6559 57.2958 41.6333 179.7248 30 K 3.9660 8.4141 118.5917 59.4606 31.7883 179.1982 31 A 4.0274 8.1177 119.9122 54.9309 18.4046 178.7980 32 A 4.2785 8.0422 116.6650 52.0487 18.7727 177.8695 33 G 3.8746 7.8600 105.1113 46.5399 0.0000 175.2313 34 V 4.1329 7.8045 114.3128 61.0619 33.1960 176.1296 35 L 4.6721 7.7667 121.4334 53.6135 42.8922 175.1481 36 E 4.7823 8.8093 124.7396 53.7493 33.0350 175.3710 37 E 3.8729 8.7199 121.4651 57.6903 30.0165 176.7513 38 G 3.8713 8.5132 113.2100 46.6194 0.0000 173.4783 39 Q 4.4249 7.7073 117.3115 55.1446 30.1079 175.4797 40 Y 4.7037 9.0949 119.5244 56.7004 40.5221 176.3854 41 N 4.2012 9.1082 121.2449 57.3595 38.9139 177.1353 42 R 3.9019 9.2817 120.3283 59.5734 30.1612 178.2694 43 E 3.9702 8.2135 117.8441 59.2466 29.4839 178.9653 44 L 3.9381 8.0225 120.1632 58.0689 42.1855 178.7189 45 A 3.9915 8.1542 120.7998 55.4285 18.3220 179.5244 46 E 3.9252 8.5274 116.9459 59.3940 29.4947 179.4825 47 A 4.0318 8.1718 120.9095 55.1057 18.4590 179.7850 48 I 3.6325 8.0094 118.1965 64.5083 36.9942 178.5026 49 A 4.1873 7.9789 120.1153 55.1471 18.3102 179.1671 50 A 4.2854 8.1569 119.2402 55.4191 18.2740 180.0407 51 K 4.1397 8.0326 115.7640 58.9801 32.2086 179.3550 52 G 4.0960 7.9022 106.2203 45.1899 0.0000 174.0872 53 E 4.2903 7.5166 120.9033 56.4538 30.6416 177.3443 54 G 4.0724 8.6328 108.6790 44.7753 0.0000 173.1737 55 F 3.8466 8.8224 120.3694 61.5839 39.0745 178.5334 56 W 4.6356 8.1844 117.9810 59.9155 28.8020 178.6400 57 T 4.2037 8.1039 109.0006 64.9716 68.4846 176.3274 58 T 4.0725 7.8738 111.5677 63.8927 69.0970 176.1661 59 Q 4.1791 7.5123 119.3601 55.7288 29.3155 175.6069 60 F 4.6147 7.9084 117.8390 54.2024 41.5895 173.2079 61 P 4.3119 0.0000 0.0000 66.0059 31.0590 178.5611 62 Q 4.0847 8.2572 116.1351 59.0522 28.5551 178.8118 63 I 4.0253 7.9648 120.5591 64.0529 37.4853 178.2034 64 G 3.8266 8.4243 106.7900 48.0229 0.0000 175.1616 65 D 4.3740 8.5453 120.6737 56.7560 41.2815 177.8696 66 W 4.1451 8.4224 128.9484 60.5784 30.5718 177.1333 67 N 4.4232 8.8095 117.0074 57.0111 38.3838 176.5803 68 E 3.9552 8.1084 119.2851 59.4901 29.5819 179.0658 69 D 4.2761 8.3936 119.2235 57.6510 40.8834 179.0680 70 Q 3.7014 8.0334 118.5405 58.4818 28.4735 178.6383 71 A 3.9072 8.0179 121.8403 54.9775 18.4333 179.5006 72 A 3.8929 8.1182 119.1274 55.2817 18.4884 179.7423 73 A 3.9232 7.9274 119.3075 55.1983 18.3506 179.6766 74 L 3.9128 8.1392 118.7794 58.1294 42.0700 178.9839 75 A 3.9912 8.2004 120.8930 55.1831 18.2379 179.3508 76 D 4.2980 8.1888 117.4127 57.6831 40.9895 179.2517 77 R 4.1282 8.1177 118.3322 59.1554 29.9608 178.9780 78 A 4.0329 8.3465 120.9017 55.1673 18.4091 179.3920 79 Q 3.8950 8.3210 118.3376 59.8102 28.9292 178.8082 80 T 3.9121 7.9602 115.4208 66.1400 68.4490 175.0889 81 C 4.7959 7.9682 116.3508 56.2093 40.4052 173.7646 82 G 3.9195 7.8588 108.4196 46.6906 0.0000 175.0025 83 L 4.4251 8.1437 120.8681 55.1594 42.5288 177.0504 84 V 4.6488 7.2421 109.5466 59.2409 36.1144 175.1761 85 K 4.2838 8.9051 122.0728 55.5926 33.3344 176.6614 86 A 4.5845 8.6085 126.1381 52.1039 18.7678 177.4193 87 D 4.4769 8.8668 122.4984 54.9406 41.7411 176.1846 88 T 4.4507 7.5216 109.8315 61.7646 71.2326 173.3861 89 Y 3.9067 8.6573 119.0171 57.9789 38.6896 168.8981 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 13 L 8.18 4.29 0.00 1.66 1.72 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.45 4.44 0.00 4.06 4.07 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 15 P 0.00 4.32 0.00 2.19 2.26 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 16 Q 7.66 3.89 0.00 1.81 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.21 0.00 0.00 0.00 0.00 0.00 1.91 2.09 0.00 17 Y 7.79 4.78 0.00 3.08 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 7.75 4.76 0.00 2.86 2.95 0.00 0.00 6.75 8.75 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 19 W 8.59 4.25 0.00 3.61 3.40 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 20 V 6.51 2.84 1.61 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 0.67 0.00 0.00 -1.01 0.00 0.00 21 A 8.13 3.84 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.47 4.43 0.00 3.12 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 23 G 8.20 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.76 3.72 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.66 0.88 0.00 0.00 25 L 8.00 3.91 0.00 1.73 1.82 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.52 4.01 0.00 2.09 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 0.00 2.32 2.34 0.00 27 G 8.37 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.29 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 4.07 0.00 1.72 1.73 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.41 3.97 0.00 1.94 1.86 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.64 7.81 31 A 8.12 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 32 A 8.04 4.28 1.35 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 0.00 0.00 33 G 7.86 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 0.00 0.00 0.00 34 V 7.80 4.13 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 0.76 0.00 0.00 1.02 0.00 0.00 35 L 7.77 4.67 0.00 1.58 1.57 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.81 4.78 0.00 1.94 1.79 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 2.22 2.20 0.00 37 E 8.72 3.87 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 2.28 2.35 0.00 38 G 8.51 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 0.00 0.00 0.00 39 Q 7.71 4.42 0.00 2.25 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 40 Y 9.09 4.70 0.00 2.94 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 41 N 9.11 4.20 0.00 2.93 3.29 0.00 0.00 7.13 7.60 0.00 0.00 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 R 9.28 3.90 0.00 2.02 1.93 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.69 0.00 43 E 8.21 3.97 0.00 2.26 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 2.43 2.44 0.00 44 L 8.02 3.94 0.00 1.91 1.85 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.15 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.53 3.93 0.00 2.18 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 2.34 2.58 0.00 47 A 8.17 4.03 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 48 I 8.01 3.63 2.01 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 1.47 0.97 0.92 0.00 0.00 49 A 7.98 4.19 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 50 A 8.16 4.29 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.03 4.14 0.00 1.93 1.92 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.67 7.81 52 G 7.90 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 0.00 0.00 0.00 53 E 7.52 4.29 0.00 2.12 1.94 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 2.41 2.57 0.00 54 G 8.63 4.07 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 0.00 0.00 0.00 55 F 8.82 3.85 0.00 2.94 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 W 8.18 4.64 0.00 3.55 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 57 T 8.10 4.20 4.36 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 1.45 0.00 0.00 58 T 7.87 4.07 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 1.24 0.00 0.00 59 Q 7.51 4.18 0.00 1.74 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 1.63 1.16 0.00 60 F 7.91 4.61 0.00 3.27 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 61 P 0.00 4.31 0.00 2.21 2.16 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 62 Q 8.26 4.08 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 63 I 7.96 4.03 2.34 0.00 0.00 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 1.45 0.69 1.00 0.00 0.00 64 G 8.42 3.83 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 0.00 65 D 8.55 4.37 0.00 2.86 2.97 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 66 W 8.42 4.15 0.00 3.59 3.39 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 67 N 8.81 4.42 0.00 3.20 3.18 0.00 0.00 7.28 8.45 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 68 E 8.11 3.96 0.00 2.22 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 2.56 2.53 0.00 69 D 8.39 4.28 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.03 3.70 0.00 1.37 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 71 A 8.02 3.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.12 3.89 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.93 3.92 1.30 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 0.00 0.00 0.00 74 L 8.14 3.91 0.00 1.81 1.78 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.20 3.99 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.19 4.30 0.00 2.92 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 77 R 8.12 4.13 0.00 2.06 2.13 0.00 3.15 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.99 0.00 78 A 8.35 4.03 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 79 Q 8.32 3.89 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 80 T 7.96 3.91 4.22 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 0.53 0.00 0.00 81 C 7.97 4.80 0.00 3.29 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 82 G 7.86 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 83 L 8.14 4.43 0.00 1.71 1.73 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.24 4.65 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.94 0.00 0.00 85 K 8.91 4.28 0.00 0.79 1.46 0.00 1.30 0.00 0.00 1.42 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.06 7.81 86 A 8.61 4.58 1.27 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 87 D 8.87 4.48 0.00 2.66 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.52 4.45 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 1.32 0.00 0.00 89 Y 8.66 3.91 0.00 3.27 2.95 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