NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.1806 8.3144 120.1293 56.2148 33.6427 174.4698 4 V 4.3233 7.6337 120.7902 60.9852 34.7343 172.5390 5 Y 5.0758 9.0686 124.5060 56.0994 41.7059 174.1923 6 K 4.5530 8.4436 121.5457 54.4659 35.9938 174.8462 7 K 4.9254 8.4609 123.8539 54.6581 34.9032 175.8797 8 V 4.5747 8.7611 117.6008 59.4878 35.4101 174.0957 9 E 5.1092 8.7203 123.6871 54.7030 31.0990 174.9450 10 L 4.9260 8.9847 126.2389 52.8397 46.3763 175.8783 11 V 4.7162 8.3386 120.1756 61.2379 33.4960 175.0534 12 G 4.5329 9.0991 116.2573 45.0719 0.0000 171.8208 13 T 5.8025 7.9389 111.5488 59.0363 72.3820 172.9062 14 S 4.6376 8.2019 113.5986 58.0861 65.2136 176.0246 15 E 4.6199 9.0272 124.0260 57.4170 30.0755 178.1290 16 E 4.0993 8.5016 118.8282 57.4989 30.0331 176.8106 17 G 3.1955 7.1329 104.0353 44.3381 0.0000 173.1295 18 L 3.7965 7.3683 118.0900 57.8891 41.4718 179.4274 19 E 3.8897 8.0082 117.7477 59.3731 29.4605 179.1429 20 A 3.9385 7.8825 120.0533 55.0040 18.5847 179.3811 21 A 3.9372 7.8788 119.1515 55.3129 18.4850 179.9502 22 I 3.5088 7.7710 118.2898 64.6275 37.0786 178.6549 23 Q 3.9061 8.3603 119.0182 58.7979 28.5919 178.8561 24 A 3.9117 8.0913 121.5611 55.0932 18.4386 179.5832 25 A 3.9094 7.8077 118.7659 55.3136 18.5692 179.7428 26 L 3.8706 7.9395 117.3122 57.7219 41.4051 179.5803 27 A 3.9678 7.9756 120.3051 55.1146 18.6918 179.3833 28 R 3.9272 7.9389 116.6385 59.2290 30.0843 178.4445 29 A 3.8788 8.0428 120.7569 55.2498 18.1659 179.5975 30 R 3.7543 7.7926 115.7071 59.2593 30.0788 178.4582 31 K 4.0987 7.6604 117.9183 58.7207 32.1277 177.5592 32 T 4.4952 7.6533 104.8094 60.5063 70.3038 173.3292 33 L 4.3553 7.8118 122.6967 52.8864 43.6247 176.2302 34 R 4.3661 8.1148 121.6368 55.4716 32.4655 175.0304 35 H 4.2061 8.4605 112.8415 56.8644 26.1968 175.4600 36 L 4.5859 8.0791 118.2988 55.3566 42.3301 176.3171 37 D 5.2088 9.3274 122.9888 55.3448 43.4817 176.0219 38 W 5.4680 7.7695 113.1808 55.3394 31.8646 173.1181 39 F 5.3329 8.2714 114.0443 55.4042 41.0324 173.7452 40 E 4.7201 9.3082 118.6775 54.6948 33.4912 174.9796 41 V 4.2468 8.7264 125.0971 62.9797 31.7337 175.4659 42 K 4.4661 9.3318 127.8617 58.3429 33.3365 176.8509 43 E 4.8504 7.8867 116.6550 55.0825 34.3426 174.3430 44 I 5.0499 8.2794 122.4536 59.8436 40.4283 174.9949 45 R 4.5386 8.6731 123.2267 56.9897 32.9249 173.5287 46 G 4.2157 7.9745 105.8176 47.1450 0.0000 172.2446 47 T 4.7502 7.9055 110.0120 60.0759 71.6536 173.6642 48 I 4.8877 8.2223 122.2904 59.6863 40.4766 175.1745 49 G 4.2476 9.1315 114.1560 43.4804 0.0000 172.9434 50 E 3.9027 8.9027 117.2637 58.8849 29.3761 178.0152 51 A 4.6486 8.0269 119.6008 51.8010 20.4868 176.8303 52 G 3.9861 7.7831 107.1488 45.3588 0.0000 176.2236 53 V 3.6857 8.1621 124.9252 63.0397 31.2452 174.6678 54 K 4.2241 8.6893 129.7701 57.5977 33.0549 174.9391 55 E 4.8343 8.1781 119.0009 54.3890 32.8050 173.8544 56 Y 4.6338 9.1486 125.3038 57.6435 39.8652 174.5740 57 Q 4.8902 9.5289 122.3031 54.2296 32.6796 174.4112 58 V 4.7041 8.8545 125.3589 61.0419 34.0031 174.5227 59 V 4.6576 8.7794 129.9186 62.0975 32.5859 174.8077 60 L 5.2985 9.2532 127.6187 54.3277 44.6221 174.6951 61 E 5.0056 9.2396 120.0039 54.8579 31.9873 175.1258 62 V 4.4849 8.9335 124.7041 61.0191 34.1237 174.2640 63 G 3.0020 8.0947 115.9968 44.0208 0.0000 172.3563 64 F 5.6561 8.2113 118.1977 55.0172 41.9695 173.4655 65 R 4.2248 8.8730 121.3999 55.9465 30.5449 176.1070 66 L 4.5429 8.3421 126.5408 54.0780 42.6731 176.9687 67 E 4.1518 8.8181 121.3949 56.4187 30.2938 176.8147 68 E 4.2215 8.5556 121.1858 56.3592 29.8455 175.6430 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 K 8.31 4.18 0.00 1.78 1.42 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.42 7.81 4 V 7.63 4.32 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 1.06 0.00 0.00 0.91 0.00 0.00 5 Y 9.07 5.08 0.00 3.03 3.08 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 0.00 0.00 0.00 0.00 6 K 8.44 4.55 0.00 1.46 0.74 0.00 1.58 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.11 1.27 7.81 7 K 8.46 4.93 0.00 1.61 1.62 0.00 2.10 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.10 1.42 7.81 8 V 8.76 4.57 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 0.92 0.00 0.00 1.10 0.00 0.00 9 E 8.72 5.11 0.00 1.97 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 2.21 2.47 0.00 10 L 8.98 4.93 0.00 1.56 1.47 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.34 4.72 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 0.81 0.00 0.00 0.94 0.00 0.00 12 G 9.10 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 13 T 7.94 5.80 4.33 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 1.27 0.00 0.00 14 S 8.20 4.64 0.00 3.88 3.74 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 15 E 9.03 4.62 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 2.51 2.31 0.00 16 E 8.50 4.10 0.00 1.97 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 2.36 2.27 0.00 17 G 7.13 3.20 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 18 L 7.37 3.80 0.00 1.57 1.65 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.01 3.89 0.00 1.98 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 2.38 2.42 0.00 20 A 7.88 3.94 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 21 A 7.88 3.94 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.77 3.51 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.94 0.33 0.00 0.00 23 Q 8.36 3.91 0.00 2.14 2.10 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 2.48 2.48 0.00 24 A 8.09 3.91 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 25 A 7.81 3.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 3.87 0.00 1.62 1.65 0.68 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.98 3.97 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 28 R 7.94 3.93 0.00 1.93 2.02 0.00 3.12 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.04 3.88 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.79 3.75 0.00 1.91 2.08 0.00 3.25 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 31 K 7.66 4.10 0.00 1.87 1.82 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.69 1.56 7.81 32 T 7.65 4.50 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 33 L 7.81 4.36 0.00 1.30 0.66 0.46 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.11 4.37 0.00 1.62 1.51 0.00 3.30 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 35 H 8.46 4.21 0.00 3.64 3.44 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.08 4.59 0.00 1.68 1.67 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.33 5.21 0.00 3.11 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 38 W 7.77 5.47 0.00 3.26 3.21 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 39 F 8.27 5.33 0.00 3.04 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 40 E 9.31 4.72 0.00 1.98 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 2.38 2.56 0.00 41 V 8.73 4.25 2.18 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 0.84 0.00 0.00 1.13 0.00 0.00 42 K 9.33 4.47 0.00 1.76 1.87 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.59 7.81 43 E 7.89 4.85 0.00 1.90 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 2.32 2.37 0.00 44 I 8.28 5.05 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.65 1.00 0.00 0.00 45 R 8.67 4.54 0.00 1.81 2.03 0.00 2.99 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 46 G 7.97 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 0.00 0.00 0.00 0.00 47 T 7.91 4.75 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 1.18 0.00 0.00 48 I 8.22 4.89 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.94 0.00 0.00 49 G 9.13 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 0.00 0.00 0.00 0.00 50 E 8.90 3.90 0.00 1.96 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 2.31 2.26 0.00 51 A 8.03 4.65 1.25 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 0.00 0.00 52 G 7.78 3.99 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 0.00 0.00 0.00 53 V 8.16 3.69 1.75 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 -0.28 0.00 0.00 0.68 0.00 0.00 54 K 8.69 4.22 0.00 1.84 1.76 0.00 1.48 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.38 7.81 55 E 8.18 4.83 0.00 2.06 1.70 0.00 0.00 0.00 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 2.26 0.00 56 Y 9.15 4.63 0.00 3.15 2.84 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 0.00 0.00 0.00 57 Q 9.53 4.89 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 58 V 8.85 4.70 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 0.96 0.00 0.00 0.95 0.00 0.00 59 V 8.78 4.66 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 0.79 0.00 0.00 0.95 0.00 0.00 60 L 9.25 5.30 0.00 1.93 1.76 0.90 0.55 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 61 E 9.24 5.01 0.00 1.95 1.89 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 2.27 2.27 0.00 62 V 8.93 4.48 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 0.95 0.00 0.00 0.91 0.00 0.00 63 G 8.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.21 5.66 0.00 3.45 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 65 R 8.87 4.22 0.00 1.91 1.88 0.00 3.03 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.90 0.00 66 L 8.34 4.54 0.00 1.59 1.58 0.89 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.82 4.15 0.00 1.99 1.91 0.00 0.00 0.00 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 2.28 0.00 68 E 8.56 4.22 0.00 1.85 1.76 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 2.17 2.24 0.00