NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8275 8.1976 109.7371 41.8810 0.0000 174.0882 4 I 3.0785 8.4083 113.5424 60.8139 38.4407 173.3311 5 R 4.8183 8.4015 121.1005 53.7860 30.4081 176.6452 6 E 4.0524 7.8901 118.3501 56.4505 31.3760 178.9299 7 K 4.4309 8.5697 121.5892 56.6983 33.3055 176.5822 8 I 4.8573 9.4624 124.6999 59.4041 41.6572 174.1269 9 K 5.1068 8.7810 125.0840 55.2046 34.7607 175.4179 10 L 4.8258 8.6148 124.7507 53.7377 42.9513 176.1799 11 V 4.4842 8.5433 124.8508 62.2442 33.2219 174.9425 12 S 3.6603 8.2597 121.4133 57.5609 62.0877 174.2195 13 S 4.2669 8.7865 123.1070 61.1955 63.1308 175.2645 14 A 4.0708 7.4441 122.4829 51.9276 18.8715 178.1907 15 G 3.8898 8.3091 108.7743 45.9401 0.0000 172.7704 16 T 4.6508 7.4590 111.5167 59.9412 70.9601 173.1706 17 G 3.8530 8.4509 111.4849 46.0868 0.0000 173.5321 18 H 4.5558 7.9918 121.0469 56.9988 31.2206 173.4234 19 F 5.1358 7.1003 115.1351 57.1990 40.3011 171.3102 20 Y 4.4648 8.6227 116.7783 56.5696 41.5742 174.6061 21 T 4.9619 8.1136 112.8095 62.0979 70.4625 173.5568 22 T 4.5208 8.9246 121.3427 62.4485 72.2750 171.5651 23 T 5.1321 8.5042 108.7981 60.7335 71.7819 172.9740 24 K 4.5188 8.4717 121.9394 54.9362 36.4063 175.2338 25 N 5.0786 8.4266 124.2921 51.2303 37.5295 174.9556 26 K 3.7173 8.1191 123.6908 59.4277 32.7542 178.4754 27 R 4.1208 7.5126 116.0165 58.7099 30.0451 177.2217 28 T 4.6128 8.7052 105.1178 60.7515 70.6204 174.1305 29 K 5.4411 7.2783 118.3615 53.5340 32.3148 175.9299 30 P 4.6262 0.0000 0.0000 62.2542 31.2936 176.9384 31 E 4.5497 7.9494 115.9500 53.8164 31.7073 174.3450 32 K 4.8547 8.7602 122.8977 56.1647 32.8278 176.4308 33 L 4.4266 8.4673 128.0139 55.0037 43.4321 175.3187 34 E 5.8408 8.7533 121.4975 55.2790 32.2599 174.8638 35 L 4.3821 8.8713 117.4598 55.1867 45.0804 171.4492 36 K 4.8708 8.8365 126.8223 56.5092 32.2195 174.9653 37 K 4.7206 8.5728 120.8420 54.7232 37.2626 174.7451 38 F 4.4859 8.7710 123.8522 58.6014 40.2398 174.5677 39 D 4.8954 7.4969 125.5110 50.7434 40.8317 174.3640 40 P 4.1233 0.0000 0.0000 65.1613 31.8657 178.4375 41 V 3.6029 7.7180 116.7453 65.5536 31.4507 176.7105 42 V 4.0312 8.4421 115.8972 61.7711 31.9499 175.1283 43 R 3.4760 7.7712 116.9636 57.1973 28.3853 176.3840 44 Q 4.8255 7.1074 114.0621 54.7165 33.7685 174.7126 45 H 4.6956 9.4641 121.8279 56.7441 29.4926 174.8273 46 V 4.6165 8.4515 123.2323 60.3507 35.3209 173.6850 47 I 4.6521 8.1586 120.0291 60.7824 39.3110 174.5164 48 Y 5.5476 8.7109 123.5310 55.6644 40.8399 174.2419 49 K 5.4461 8.2241 127.5342 55.0231 36.2196 171.2884 50 E 3.4760 9.8148 122.7593 56.1614 27.0766 173.5773 51 A 4.2369 8.0672 122.7550 50.9181 21.3276 176.6786 52 K 4.0580 9.0703 121.5424 57.6318 32.1065 176.9064 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 3 G 8.20 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 4 I 8.41 3.08 1.87 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 1.42 0.65 0.91 0.00 0.00 5 R 8.40 4.82 0.00 1.78 1.91 0.00 3.33 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 6 E 7.89 4.05 0.00 1.97 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 0.00 2.42 2.46 0.00 7 K 8.57 4.43 0.00 1.67 1.77 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.49 7.81 8 I 9.46 4.86 1.90 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 1.31 1.01 0.96 0.00 0.00 9 K 8.78 5.11 0.00 2.26 1.96 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.31 7.81 10 L 8.61 4.83 0.00 1.81 1.93 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.54 4.48 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.96 0.00 0.00 12 S 8.26 3.66 0.00 3.73 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 13 S 8.79 4.27 0.00 3.80 3.98 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 0.00 0.00 0.00 0.00 14 A 7.44 4.07 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.31 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 0.00 0.00 0.00 16 T 7.46 4.65 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 1.25 0.00 0.00 17 G 8.45 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 18 H 7.99 4.56 0.00 3.28 3.27 0.00 5.63 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.10 5.14 0.00 3.37 2.98 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 0.00 0.00 0.00 0.00 20 Y 8.62 4.46 0.00 2.65 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 21 T 8.11 4.96 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 1.18 0.00 0.00 22 T 8.92 4.52 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 1.27 0.00 0.00 23 T 8.50 5.13 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 24 K 8.47 4.52 0.00 1.83 1.73 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.34 1.39 7.81 25 N 8.43 5.08 0.00 2.76 2.70 0.00 0.00 6.54 6.75 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 26 K 8.12 3.72 0.00 1.87 1.96 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.57 7.81 27 R 7.51 4.12 0.00 2.27 2.01 0.00 3.32 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 28 T 8.71 4.61 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 1.21 0.00 0.00 29 K 7.28 5.44 0.00 1.76 1.82 0.00 1.69 0.00 0.00 1.56 0.00 0.00 3.22 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.48 7.81 30 P 0.00 4.63 0.00 2.04 2.08 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.35 0.00 31 E 7.95 4.55 0.00 2.07 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 2.24 2.23 0.00 32 K 8.76 4.85 0.00 1.67 1.87 0.00 1.81 0.00 0.00 2.30 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.31 7.81 33 L 8.47 4.43 0.00 1.79 1.55 0.93 0.82 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 34 E 8.75 5.84 0.00 1.99 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 2.35 2.17 0.00 35 L 8.87 4.38 0.00 1.73 1.77 0.86 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.84 4.87 0.00 2.02 2.06 0.00 1.82 0.00 0.00 2.40 0.00 0.00 2.83 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.46 7.81 37 K 8.57 4.72 0.00 0.95 1.01 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.21 7.81 38 F 8.77 4.49 0.00 2.78 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 39 D 7.50 4.90 0.00 2.88 2.48 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 40 P 0.00 4.12 0.00 1.93 2.11 0.00 2.95 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.14 0.00 41 V 7.72 3.60 2.25 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 0.73 0.00 0.00 0.94 0.00 0.00 42 V 8.44 4.03 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 0.81 0.00 0.00 0.93 0.00 0.00 43 R 7.77 3.48 0.00 1.95 2.15 0.00 3.30 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 44 Q 7.11 4.83 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.07 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 45 H 9.46 4.70 0.00 3.13 3.41 0.00 5.84 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.45 4.62 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 0.50 0.00 0.00 0.86 0.00 0.00 47 I 8.16 4.65 1.84 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 1.35 0.43 0.94 0.00 0.00 48 Y 8.71 5.55 0.00 2.91 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 49 K 8.22 5.45 0.00 1.82 1.69 0.00 1.96 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.38 7.81 50 E 9.81 3.48 0.00 2.16 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 0.00 2.20 2.54 0.00 51 A 8.07 4.24 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 52 K 9.07 4.06 0.00 1.77 1.80 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.50 7.81