NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 2.7702 8.0249 121.3975 60.7626 37.5657 173.7734 4 K 4.0740 7.2431 122.1226 53.8953 33.7622 171.9367 5 V 4.1974 8.1330 122.1651 61.9961 33.7419 173.2276 6 R 4.2397 8.7118 126.2867 57.3814 31.4993 176.0139 7 E 3.7577 8.3394 112.4076 56.7581 26.1855 174.0263 8 N 4.1859 8.2505 120.2950 54.3065 39.7440 169.9712 9 E 3.7084 8.5942 130.4396 54.4068 30.7525 172.3854 10 P 3.8370 0.0000 0.0000 62.4492 31.8299 176.0816 11 F 4.7594 7.9190 111.1825 56.4357 38.6431 172.4293 12 D 4.7462 8.8770 131.6459 54.6091 39.7599 176.6658 13 V 4.4156 7.4962 117.0858 59.4576 34.3935 176.4726 14 A 3.9950 8.8678 127.6673 54.6075 18.3986 178.4964 15 L 3.7971 8.1190 114.9537 56.2448 40.7798 176.0957 16 R 3.9748 7.5227 119.4513 58.5735 29.4658 177.9928 17 R 3.9569 8.2465 117.6887 59.2351 29.9199 178.0202 18 F 3.9739 8.0056 120.3175 61.3857 38.9296 176.9788 19 K 4.1107 8.2383 117.7601 59.6341 31.6371 178.1006 20 R 4.3919 7.5222 115.4079 56.3090 30.9430 177.2393 21 S 4.6155 7.8352 109.6846 57.8141 64.0304 173.0152 22 C 4.7732 7.2596 117.6732 58.8614 38.3075 176.9560 23 E 4.5027 7.9517 130.1462 53.9002 29.8157 175.8059 24 K 3.4452 8.7263 124.1804 57.7865 31.3265 174.0968 25 A 4.4533 8.4577 120.4086 52.9158 19.0756 176.2661 26 G 4.1981 8.7396 109.6503 46.9349 0.0000 176.3254 27 V 3.8067 7.4090 119.0492 64.3435 31.7291 177.8849 28 L 4.0079 7.6988 119.4362 57.9288 42.0035 178.6416 29 A 4.0989 7.9726 118.3590 54.6857 18.2939 178.6660 30 E 4.1570 7.6349 116.4517 58.8431 29.9438 178.0047 31 V 4.0889 7.0998 114.2059 63.3310 31.8258 177.0637 32 R 3.8721 7.8057 117.3654 61.9835 30.3611 178.0701 33 R 4.3288 7.7717 124.5971 55.4335 31.4910 175.0059 34 R 4.1944 8.2792 113.1396 56.7212 30.4770 176.8220 35 E 4.4653 7.8217 119.5006 56.4378 28.4001 176.5678 36 F 4.4585 7.8023 120.3891 60.1781 45.5504 175.9345 37 Y 4.1211 8.1122 121.3643 58.6241 36.5933 170.5742 38 E 4.7179 7.8360 113.1925 56.1539 31.8826 177.4672 39 K 4.0437 8.1483 119.4822 58.8056 32.7701 177.4576 40 P 3.9666 0.0000 0.0000 65.8430 31.4364 178.3037 41 T 3.9717 7.2705 106.9576 62.8453 68.2143 173.7458 42 T 4.4073 7.3506 110.3024 61.6253 71.1669 175.0965 43 E 3.9610 8.0048 127.0591 58.2200 30.7822 178.8337 44 R 4.2234 7.8607 116.4762 57.9386 30.9543 177.8432 45 K 4.2921 7.8096 113.7925 57.3265 32.5384 177.4691 46 R 4.3088 8.3521 118.5658 56.6214 30.9648 178.3668 47 A 4.0438 7.7988 120.9614 54.8290 18.3020 179.7510 48 K 4.0893 8.0460 116.6065 59.7760 32.4710 178.9782 49 A 4.0195 7.6029 121.3921 54.6034 18.4431 178.7658 50 S 4.4616 7.7982 111.1405 60.0768 63.9969 176.1780 51 A 4.0366 8.3127 123.8789 54.4245 18.0663 179.3629 52 V 3.7270 7.5091 117.3913 64.6836 31.2830 176.1759 53 K 4.0642 8.1626 124.2774 56.6531 32.3491 174.9234 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 I 8.02 2.77 1.66 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.00 0.49 0.00 0.00 4 K 7.24 4.07 0.00 1.72 1.65 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.34 7.81 5 V 8.13 4.20 2.06 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 0.87 0.00 0.00 0.90 0.00 0.00 6 R 8.71 4.24 0.00 1.78 1.91 0.00 3.44 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 7 E 8.34 3.76 0.00 2.46 2.46 0.00 0.00 0.00 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 2.37 0.00 8 N 8.25 4.19 0.00 2.67 2.77 0.00 0.00 7.25 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 9 E 8.59 3.71 0.00 2.09 1.95 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 2.28 2.24 0.00 10 P 0.00 3.84 0.00 2.11 1.89 0.00 3.71 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 1.88 1.86 0.00 11 F 7.92 4.76 0.00 2.97 3.13 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 12 D 8.88 4.75 0.00 2.74 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 13 V 7.50 4.42 2.06 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 0.73 0.00 0.00 0.88 0.00 0.00 14 A 8.87 4.00 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 15 L 8.12 3.80 0.00 1.86 1.77 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.52 3.97 0.00 2.12 1.95 0.00 3.26 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 17 R 8.25 3.96 0.00 1.87 2.01 0.00 3.35 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 18 F 8.01 3.97 0.00 3.12 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 K 8.24 4.11 0.00 1.94 1.93 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.55 7.81 20 R 7.52 4.39 0.00 1.97 1.95 0.00 3.17 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 21 S 7.84 4.62 0.00 3.80 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 22 C 7.26 4.77 0.00 3.15 2.94 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 23 E 7.95 4.50 0.00 2.03 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 24 K 8.73 3.45 0.00 2.10 1.65 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.39 7.81 25 A 8.46 4.45 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 26 G 8.74 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 27 V 7.41 3.81 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 1.04 0.00 0.00 0.94 0.00 0.00 28 L 7.70 4.01 0.00 1.96 1.64 0.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.97 4.10 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 30 E 7.63 4.16 0.00 2.33 2.19 0.00 0.00 0.00 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 2.41 0.00 31 V 7.10 4.09 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 0.89 0.00 0.00 1.02 0.00 0.00 32 R 7.81 3.87 0.00 2.02 1.89 0.00 3.30 0.00 0.00 3.15 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 33 R 7.77 4.33 0.00 1.76 1.69 0.00 3.25 0.00 0.00 3.18 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 34 R 8.28 4.19 0.00 1.84 1.92 0.00 2.82 0.00 0.00 3.06 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 35 E 7.82 4.47 0.00 1.54 1.12 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 2.19 2.28 0.00 36 F 7.80 4.46 0.00 2.88 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 4.12 0.00 3.21 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 38 E 7.84 4.72 0.00 2.19 2.22 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 2.32 2.46 0.00 39 K 8.15 4.04 0.00 2.20 2.31 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.50 7.81 40 P 0.00 3.97 0.00 2.06 1.91 0.00 3.80 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.91 0.00 41 T 7.27 3.97 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 1.22 0.00 0.00 42 T 7.35 4.41 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 1.23 0.00 0.00 43 E 8.00 3.96 0.00 1.98 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 0.00 2.42 2.39 0.00 44 R 7.86 4.22 0.00 2.02 1.84 0.00 3.03 0.00 0.00 2.88 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 45 K 7.81 4.29 0.00 1.80 1.83 0.00 1.88 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 46 R 8.35 4.31 0.00 1.84 1.94 0.00 3.13 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 47 A 7.80 4.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.05 4.09 0.00 2.03 2.07 0.00 1.40 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.62 7.81 49 A 7.60 4.02 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 50 S 7.80 4.46 0.00 4.04 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.31 4.04 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 V 7.51 3.73 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 0.79 0.00 0.00 0.93 0.00 0.00 53 K 8.16 4.06 0.00 1.68 1.64 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.38 7.81