NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.2417 8.4293 118.7881 56.1147 31.5966 176.0254 8 L 4.0339 7.5743 118.3937 54.5772 41.4218 173.8381 9 S 4.6923 7.8125 115.3836 56.7124 66.5294 175.3375 10 N 4.5791 8.5462 117.7796 55.3280 37.6787 174.3635 11 T 4.7194 7.3204 108.4828 59.5286 69.9811 172.0714 12 R 4.6872 7.8465 124.9734 56.3868 33.9169 172.1962 13 L 5.2287 8.7608 127.2539 52.9309 45.2042 175.2448 14 F 4.8897 9.6556 127.2820 57.1597 40.9240 175.1395 15 V 4.5527 7.8149 125.9682 60.2347 34.2587 175.0336 16 R 4.2968 7.7468 122.9773 54.4314 31.3114 174.6071 17 P 4.3320 0.0000 0.0000 63.0667 31.5501 176.3641 18 F 4.6291 8.8243 123.4264 55.1341 41.0225 175.4986 19 P 4.6572 0.0000 0.0000 62.2938 32.2991 176.4896 20 L 3.9574 8.6642 117.1349 59.1273 40.1206 176.7663 21 D 5.4829 8.2888 117.4121 53.7451 41.0203 177.1296 22 V 4.0191 7.7454 119.6160 60.4857 29.5277 175.3776 23 Q 4.5436 7.6417 125.8345 53.9941 33.2618 175.1357 24 E 3.9176 8.5800 118.2130 58.9746 29.5406 178.8129 25 S 4.0382 8.0816 114.4917 61.5511 62.3249 175.9450 26 E 4.0354 8.0042 119.5260 59.4016 29.4821 178.6995 27 L 3.9139 7.3341 118.7639 57.6133 41.5954 179.3402 28 N 4.4502 8.6323 116.7624 56.2997 38.3832 177.3345 29 E 4.1466 8.2507 118.4028 58.2815 29.5601 178.5001 30 I 4.2132 7.6137 118.9824 63.3900 38.2858 177.3913 31 F 4.9457 8.9569 115.5875 58.1940 38.9959 177.5747 32 G 3.9273 8.2412 107.3512 47.0202 0.0000 172.8858 33 P 4.7829 0.0000 0.0000 61.2599 29.7206 175.2437 34 F 5.0605 7.6113 115.5410 57.7526 45.7602 175.4117 35 G 4.2353 7.3358 105.8110 44.1945 0.0000 170.9457 36 P 4.7026 0.0000 0.0000 62.3928 30.6895 174.1697 37 M 4.1504 8.6902 123.7512 55.9585 30.9392 176.0814 38 K 4.1082 8.8346 126.4632 59.5198 33.1380 175.7742 39 E 4.7427 8.4863 118.7076 55.8030 33.7126 174.5372 40 V 4.8505 8.0503 114.4060 59.8129 36.1238 174.8264 41 K 4.7815 9.5177 122.6817 54.6864 36.4716 175.4790 42 I 4.9055 8.5372 117.2301 59.3264 39.8027 174.5660 43 L 4.8571 8.8509 126.9188 52.3440 44.7217 176.1648 44 N 4.5896 8.6666 119.5300 56.0971 36.9368 173.1641 45 G 2.9648 7.6833 115.8467 45.1205 0.0000 171.5555 46 F 4.8610 7.5720 113.6758 56.0779 41.5104 173.1089 47 A 5.2728 8.0805 121.3309 50.4831 22.9085 175.0004 48 F 5.4069 9.3614 117.2098 56.1023 44.3702 174.5066 49 V 4.3579 8.9720 121.4872 60.3203 34.6869 173.2053 50 E 4.8570 8.8879 127.4570 54.3183 31.2487 175.0458 51 F 4.8202 8.6946 126.0303 57.0677 40.5808 176.0400 52 E 4.3504 9.3983 122.0151 57.2185 30.2109 176.4162 53 E 4.6436 8.2214 117.9717 54.3756 33.6158 175.7371 54 A 4.7052 9.0222 127.3848 54.6647 18.3044 178.9596 55 E 3.8180 8.1681 116.9294 59.7655 29.7952 178.9396 56 S 3.8025 8.0427 114.2628 61.4235 62.7366 176.6543 57 A 4.0095 7.9361 122.9389 55.2867 18.0880 179.4194 58 A 3.7724 8.4728 119.5579 55.2041 18.2515 180.1583 59 K 3.6953 8.0283 116.6348 59.6184 32.2925 179.2972 60 A 2.5800 7.3697 120.8889 54.9719 17.5719 179.7725 61 I 3.6480 7.6697 118.2397 64.0458 36.9266 177.6884 62 E 4.0636 7.2894 116.5025 57.1911 29.7632 177.5568 63 E 4.3003 7.6539 118.5565 58.5246 30.5086 177.9975 64 V 3.7495 7.8571 118.3603 65.0253 31.4433 175.7847 65 H 4.2700 7.0424 118.1880 58.2375 29.7601 174.9391 66 G 3.8116 8.4649 115.3205 45.1705 0.0000 173.2783 67 K 4.4151 7.9407 120.0301 55.3415 33.8341 175.6265 68 S 5.1682 7.8642 114.2838 57.2923 66.2510 173.7293 69 F 4.2460 9.3573 120.8773 58.7127 42.7645 173.8463 70 A 3.8693 8.6367 130.0530 53.5800 15.7389 176.5108 71 N 4.2861 8.3991 112.2087 55.2465 36.4611 174.5796 72 Q 4.6023 7.6846 114.2756 53.5225 33.1991 172.3689 73 P 4.7809 0.0000 0.0000 62.9582 31.8078 176.2800 74 L 4.3382 9.1083 125.0418 54.5027 43.5948 175.6030 75 E 4.7759 8.1690 120.4100 55.2066 33.0279 173.8443 76 V 4.8288 8.4461 125.7244 61.5306 35.1291 174.2916 77 V 4.5586 8.6848 118.8482 59.8111 37.0754 173.9250 78 Y 4.7043 8.6629 118.9314 58.0058 37.5220 175.9980 79 S 4.3052 8.9503 120.5191 58.0716 63.1402 174.4351 80 K 4.1398 8.8181 125.3876 56.9778 31.7883 176.6297 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 7 E 8.43 4.24 0.00 2.07 2.13 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 2.14 2.28 0.00 8 L 7.57 4.03 0.00 1.32 1.61 0.32 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.81 4.69 0.00 4.13 3.91 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 0.00 0.00 0.00 10 N 8.55 4.58 0.00 2.89 3.06 0.00 0.00 5.48 7.28 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 11 T 7.32 4.72 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 12 R 7.85 4.69 0.00 2.00 2.13 0.00 3.14 0.00 0.00 3.41 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 13 L 8.76 5.23 0.00 1.62 1.55 1.27 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 14 F 9.66 4.89 0.00 3.18 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 15 V 7.81 4.55 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 1.42 0.00 0.00 0.82 0.00 0.00 16 R 7.75 4.30 0.00 1.38 1.52 0.00 3.22 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 17 P 0.00 4.33 0.00 1.99 2.08 0.00 3.59 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 18 F 8.82 4.63 0.00 2.97 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 19 P 0.00 4.66 0.00 2.29 2.30 0.00 4.12 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.12 0.00 20 L 8.66 3.96 0.00 1.77 1.89 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.29 5.48 0.00 2.74 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 22 V 7.75 4.02 2.34 0.00 0.00 0.00 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 0.95 0.00 0.00 23 Q 7.64 4.54 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 24 E 8.58 3.92 0.00 2.14 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 0.00 2.32 2.32 0.00 25 S 8.08 4.04 0.00 3.89 3.91 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 0.00 0.00 0.00 26 E 8.00 4.04 0.00 2.04 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 0.00 2.24 2.08 0.00 27 L 7.33 3.91 0.00 1.71 1.42 0.58 -0.06 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 28 N 8.63 4.45 0.00 2.91 2.87 0.00 0.00 7.18 7.61 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 29 E 8.25 4.15 0.00 2.01 2.05 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 2.46 2.53 0.00 30 I 7.61 4.21 2.15 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.72 0.78 0.00 0.00 31 F 8.96 4.95 0.00 3.12 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.24 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.78 0.00 1.82 1.94 0.00 3.61 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.76 0.00 34 F 7.61 5.06 0.00 3.34 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 35 G 7.34 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 0.00 0.00 0.00 0.00 36 P 0.00 4.70 0.00 2.22 2.32 0.00 3.78 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.03 0.00 37 M 8.69 4.15 0.00 1.67 1.90 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 38 K 8.83 4.11 0.00 1.87 2.10 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.51 7.81 39 E 8.49 4.74 0.00 1.98 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 40 V 8.05 4.85 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 0.47 0.00 0.00 0.84 0.00 0.00 41 K 9.52 4.78 0.00 1.88 1.74 0.00 1.47 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.40 7.81 42 I 8.54 4.91 1.84 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 1.33 0.92 0.73 0.00 0.00 43 L 8.85 4.86 0.00 2.32 1.80 1.28 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.67 4.59 0.00 2.62 2.76 0.00 0.00 7.02 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.68 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 0.00 0.00 0.00 46 F 7.57 4.86 0.00 3.05 3.43 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 47 A 8.08 5.27 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 48 F 9.36 5.41 0.00 2.92 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 V 8.97 4.36 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 0.41 0.00 0.00 0.26 0.00 0.00 50 E 8.89 4.86 0.00 2.06 1.82 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 2.23 2.44 0.00 51 F 8.69 4.82 0.00 3.10 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 52 E 9.40 4.35 0.00 2.13 2.11 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 2.37 2.34 0.00 53 E 8.22 4.64 0.00 2.17 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 54 A 9.02 4.71 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 55 E 8.17 3.82 0.00 2.04 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 2.35 2.40 0.00 56 S 8.04 3.80 0.00 3.72 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 57 A 7.94 4.01 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.47 3.77 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.03 3.70 0.00 1.78 1.61 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.53 7.81 60 A 7.37 2.58 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.67 3.65 1.76 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.68 0.84 0.00 0.00 62 E 7.29 4.06 0.00 2.05 1.96 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 2.28 2.47 0.00 63 E 7.65 4.30 0.00 1.56 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 2.28 2.22 0.00 64 V 7.86 3.75 1.98 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 0.96 0.00 0.00 0.25 0.00 0.00 65 H 7.04 4.27 0.00 3.19 3.30 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.46 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.94 4.42 0.00 1.98 1.83 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.60 7.81 68 S 7.86 5.17 0.00 3.83 3.75 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 0.00 0.00 0.00 0.00 69 F 9.36 4.25 0.00 3.08 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 70 A 8.64 3.87 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.40 4.29 0.00 2.86 2.89 0.00 0.00 6.92 7.66 0.00 0.00 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 Q 7.68 4.60 0.00 2.22 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 73 P 0.00 4.78 0.00 2.05 2.06 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 74 L 9.11 4.34 0.00 1.71 1.61 1.04 0.31 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 75 E 8.17 4.78 0.00 2.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 76 V 8.45 4.83 2.12 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 0.99 0.00 0.00 1.07 0.00 0.00 77 V 8.68 4.56 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 0.65 0.00 0.00 1.22 0.00 0.00 78 Y 8.66 4.70 0.00 2.94 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 79 S 8.95 4.31 0.00 4.31 4.03 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 80 K 8.82 4.14 0.00 1.76 1.71 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.45 7.81