NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2559 8.1133 117.2703 56.2009 30.6255 175.6021 11 S 3.4565 8.4389 112.4153 59.9786 62.8228 174.3260 12 G 3.8640 7.2944 109.8614 47.5758 0.0000 174.3459 13 R 4.1115 7.4750 114.7972 57.6895 30.0780 177.2141 14 F 4.9073 8.7243 117.8161 57.6088 39.7382 176.7838 15 G 3.8813 7.8531 109.0548 46.1487 0.0000 173.5689 16 A 4.4346 8.3865 119.6662 52.9552 19.2574 177.4173 17 R 4.2667 7.0318 118.0559 56.7848 33.0655 175.6284 18 Y 4.1283 8.2101 118.5193 57.0868 36.6158 170.7991 19 G 3.9703 8.1776 103.4053 44.7211 0.0000 172.8881 20 R 3.7236 8.0078 114.6786 59.8667 29.7409 178.7929 21 V 3.5880 7.8275 116.7028 66.6663 31.8473 178.7221 22 S 4.1207 8.0850 114.1057 61.7174 62.8891 176.6880 23 R 4.6663 7.9254 119.3860 57.9669 29.4366 178.6734 24 R 3.8568 8.5054 120.4637 59.6907 30.1880 178.6756 25 R 3.9710 8.4749 118.2906 59.0998 30.0659 179.3604 26 V 3.5526 7.8714 117.7205 65.7512 31.5370 177.9255 27 A 3.8979 8.0065 120.4804 55.1615 18.2535 179.1844 28 E 3.8991 8.1950 116.6535 59.7949 29.5635 179.8536 29 I 3.6855 7.8493 119.5193 64.5974 37.1307 178.3749 30 E 4.0597 8.2032 118.9704 58.8082 28.8253 179.1893 31 S 4.0663 8.4992 114.0936 61.5074 62.3388 175.8305 32 E 4.5708 8.2505 122.5080 58.9119 29.4384 178.1871 33 M 4.8882 8.0928 119.3602 58.1828 32.5008 177.3964 34 N 4.6953 8.3495 114.3642 53.5310 39.4501 175.5061 35 E 3.9487 7.2680 120.2435 56.6243 30.1040 176.1973 36 D 4.7873 8.3543 121.2499 55.4327 40.0431 174.4955 37 H 4.6476 8.5000 120.3408 54.5850 30.5033 174.2359 38 A 4.2586 8.7151 125.3523 51.9030 18.2825 176.4936 39 C 4.0534 9.1289 122.7101 60.5606 32.0262 172.5551 40 P 4.1994 0.0000 0.0000 65.8909 31.1629 177.8775 41 N 4.3607 7.8833 112.3312 52.8548 38.7296 173.8359 42 C 5.0534 7.4806 111.5325 57.9578 32.5560 175.5506 43 G 3.8566 8.9875 110.9984 46.0560 0.0000 171.9773 44 E 4.2477 8.7502 122.1427 54.6763 30.9479 176.4821 45 D 5.6767 8.4030 127.0706 53.5177 38.2677 176.1698 46 R 4.8214 7.7368 121.4836 55.7273 32.4559 175.0085 47 V 5.0272 8.2757 119.2073 61.8981 32.9611 174.4877 48 D 5.2877 9.5094 128.0524 52.1303 44.3071 175.6875 49 R 3.0964 8.7276 123.3856 56.3158 30.3243 176.1725 50 Q 4.1343 8.7338 126.0685 57.7129 29.6661 176.0740 51 G 3.7085 6.5647 104.4863 45.8753 0.0000 172.4933 52 T 3.7964 8.4474 120.0771 64.8880 67.8588 174.8631 53 G 4.1977 8.4694 115.5887 45.9635 0.0000 171.2524 54 I 4.3783 6.7050 121.0258 59.5643 38.9889 175.0177 55 W 5.1166 8.6085 125.9411 55.0777 33.7028 174.0782 56 Q 5.7787 8.8536 121.4417 55.5049 32.7256 173.1433 57 C 5.2380 9.1306 127.1047 58.3570 31.8038 173.8327 58 S 3.8264 9.4339 123.2917 61.4837 62.3772 174.5895 59 Y 4.4966 8.4763 122.5288 59.5500 38.6816 174.6653 60 C 4.0354 8.0144 112.2533 58.0655 30.6635 174.9402 61 D 4.7327 8.5746 119.1475 54.8551 38.8608 173.1313 62 Y 4.4054 7.6061 122.1195 58.0789 39.7415 174.6996 63 K 5.1385 8.6516 128.7131 54.7543 33.7775 174.8686 64 F 5.0063 9.1104 122.3039 55.1522 42.0679 173.5018 65 T 4.6866 8.5869 109.7813 61.4308 69.9341 174.1815 66 G 4.5289 8.3243 110.7211 45.6668 0.0000 172.3410 67 G 4.0421 8.2344 106.3126 46.4563 0.0000 175.3199 68 S 4.1253 8.7234 116.1404 60.8697 62.9558 175.3664 69 Y 4.9794 7.8459 115.5516 57.5748 39.8752 175.3931 70 K 4.7198 7.9328 118.4920 53.5348 35.0757 175.3424 71 P 2.9700 0.0000 0.0000 64.0706 31.6100 176.0887 72 E 4.8616 7.5441 117.3847 54.4283 33.0991 174.7295 73 T 4.6908 8.1006 112.1237 58.9505 71.2388 173.1594 74 P 4.3195 0.0000 0.0000 66.2290 31.0707 179.2282 75 G 3.7581 7.5133 100.9507 47.4802 0.0000 175.7937 76 G 3.7583 8.3781 108.5477 47.6962 0.0000 176.0999 77 K 4.0545 7.9987 120.3224 59.3945 31.7497 179.4471 78 T 4.0232 7.6902 115.3892 66.1011 68.0133 176.9128 79 V 3.4918 7.1955 119.9751 66.1416 31.6787 177.8282 80 R 4.0848 7.9462 115.7374 58.9854 30.0920 177.9366 81 R 3.7134 7.7674 113.0192 58.8503 29.9261 176.7702 82 S 4.2968 5.9980 119.9027 59.4084 62.6670 175.1899 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 R 8.11 4.26 0.00 1.97 2.14 0.00 2.93 0.00 0.00 3.33 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 11 S 8.44 3.46 0.00 4.06 4.09 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 0.00 0.00 0.00 12 G 7.29 3.86 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 0.00 0.00 0.00 13 R 7.48 4.11 0.00 1.88 1.96 0.00 2.92 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.22 0.00 14 F 8.72 4.91 0.00 3.30 3.10 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 15 G 7.85 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 16 A 8.39 4.43 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.03 4.27 0.00 0.69 0.66 0.00 2.95 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.27 0.00 18 Y 8.21 4.13 0.00 3.03 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 19 G 8.18 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 20 R 8.01 3.72 0.00 1.88 1.94 0.00 3.18 0.00 0.00 3.28 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 21 V 7.83 3.59 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 1.13 0.00 0.00 0.94 0.00 0.00 22 S 8.08 4.12 0.00 4.10 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 23 R 7.93 4.67 0.00 2.15 2.56 0.00 3.13 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.64 0.00 24 R 8.51 3.86 0.00 1.96 2.10 0.00 3.11 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.68 0.00 25 R 8.47 3.97 0.00 1.96 1.94 0.00 3.18 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 26 V 7.87 3.55 2.42 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 1.11 0.00 0.00 1.06 0.00 0.00 27 A 8.01 3.90 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.20 3.90 0.00 2.04 2.03 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 2.34 2.50 0.00 29 I 7.85 3.69 1.81 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.73 0.56 0.00 0.00 30 E 8.20 4.06 0.00 2.23 2.00 0.00 0.00 0.00 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 2.32 0.00 31 S 8.50 4.07 0.00 3.96 4.04 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 0.00 0.00 0.00 32 E 8.25 4.57 0.00 2.03 2.03 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 2.39 2.40 0.00 33 M 8.09 4.89 0.00 2.31 2.44 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.22 2.73 0.00 34 N 8.35 4.70 0.00 2.80 2.90 0.00 0.00 7.07 7.25 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 35 E 7.27 3.95 0.00 1.96 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 2.33 2.61 0.00 36 D 8.35 4.79 0.00 2.54 2.65 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 0.00 0.00 0.00 0.00 37 H 8.50 4.65 0.00 3.15 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.72 4.26 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 39 C 9.13 4.05 0.00 3.09 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 40 P 0.00 4.20 0.00 1.97 1.83 0.00 3.51 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.73 0.00 41 N 7.88 4.36 0.00 1.78 2.57 0.00 0.00 6.84 7.65 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 42 C 7.48 5.05 0.00 3.38 3.04 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 0.00 0.00 0.00 43 G 8.99 3.86 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 0.00 0.00 0.00 44 E 8.75 4.25 0.00 2.08 1.88 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 1.76 2.17 0.00 45 D 8.40 5.68 0.00 2.60 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 46 R 7.74 4.82 0.00 1.84 2.06 0.00 3.15 0.00 0.00 3.50 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 47 V 8.28 5.03 2.30 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 1.19 0.00 0.00 1.18 0.00 0.00 48 D 9.51 5.29 0.00 2.63 2.56 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 49 R 8.73 3.10 0.00 0.74 1.47 0.00 2.94 0.00 0.00 3.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 50 Q 8.73 4.13 0.00 1.86 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.46 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 51 G 6.56 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.45 3.80 4.12 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 0.00 0.00 1.05 0.00 0.00 53 G 8.47 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 0.00 0.00 0.00 0.00 54 I 6.70 4.38 1.67 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.86 0.74 0.00 0.00 55 W 8.61 5.12 0.00 1.78 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 56 Q 8.85 5.78 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 57 C 9.13 5.24 0.00 3.29 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 58 S 9.43 3.83 0.00 3.94 4.09 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 0.00 0.00 0.00 59 Y 8.48 4.50 0.00 2.90 2.88 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 60 C 8.01 4.04 0.00 2.86 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 61 D 8.57 4.73 0.00 2.88 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 62 Y 7.61 4.41 0.00 2.82 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 63 K 8.65 5.14 0.00 1.78 1.64 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.37 7.81 64 F 9.11 5.01 0.00 2.94 2.21 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 65 T 8.59 4.69 4.26 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 0.00 0.00 0.00 1.20 0.00 0.00 66 G 8.32 4.53 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 0.00 0.00 0.00 67 G 8.23 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.72 4.13 0.00 3.19 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 7.85 4.98 0.00 3.19 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.93 4.72 0.00 1.81 1.54 0.00 1.76 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.50 7.81 71 P 0.00 2.97 0.00 1.82 0.87 0.00 3.04 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.16 0.00 72 E 7.54 4.86 0.00 1.84 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 0.00 2.19 2.19 0.00 73 T 8.10 4.69 4.26 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 0.00 0.00 0.00 1.22 0.00 0.00 74 P 0.00 4.32 0.00 2.18 2.17 0.00 3.61 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 2.13 2.19 0.00 75 G 7.51 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 0.00 0.00 0.00 76 G 8.38 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 0.00 0.00 0.00 77 K 8.00 4.05 0.00 1.81 1.87 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.68 7.81 78 T 7.69 4.02 4.42 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 1.21 0.00 0.00 79 V 7.20 3.49 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 0.84 0.00 0.00 1.02 0.00 0.00 80 R 7.95 4.08 0.00 1.82 1.98 0.00 3.29 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 81 R 7.77 3.71 0.00 2.13 1.79 0.00 3.19 0.00 0.00 3.27 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 82 S 6.00 4.30 0.00 3.97 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00