NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8269 8.1976 109.7370 41.6262 0.0000 173.5145 4 I 3.0863 8.1581 109.8021 60.4267 37.4329 173.6434 5 R 5.3282 8.1207 122.7263 53.2511 30.8659 176.3563 6 E 3.9778 8.4574 122.2960 56.5305 31.0356 176.6100 7 K 4.9220 8.2939 122.8397 54.3624 30.2527 176.4444 8 I 4.0614 7.8284 123.9920 60.8583 39.9704 174.3312 9 K 5.1362 8.4573 124.9214 55.1244 35.1651 175.3576 10 L 5.1949 8.8893 125.1670 53.1202 42.8294 176.3513 11 V 4.4248 8.6872 125.0240 62.3388 33.4113 174.8843 12 S 3.3844 8.2278 121.3172 57.1208 63.3300 174.5580 13 S 4.2782 8.3412 120.3186 58.8707 63.1352 173.6843 14 A 4.5585 7.6982 124.3952 50.6990 20.8900 178.2388 15 G 3.9092 8.4454 105.3350 46.4128 0.0000 173.5701 16 T 4.4771 7.2450 114.4483 60.2016 68.8931 174.6587 17 G 3.8688 8.4738 114.0532 46.1607 0.0000 173.2886 18 H 4.6016 8.3841 121.1345 56.5174 31.3444 173.8126 19 F 5.1036 6.9524 115.4530 57.0964 40.3542 171.5671 20 Y 4.6340 8.8777 115.9091 56.4598 42.4254 174.9007 21 T 5.2244 8.4206 114.4051 61.2074 70.1015 172.7491 22 T 4.7847 8.9406 118.6157 60.9931 72.4020 172.3418 23 T 5.0201 8.4652 110.0517 60.5267 71.8080 173.0353 24 K 4.5087 8.7173 122.5829 55.2669 36.6106 174.5954 25 N 5.4921 8.3800 122.8808 51.1218 37.0826 174.5330 26 K 3.9702 8.4147 122.8976 59.2230 32.8223 177.9371 27 R 4.1015 7.6767 115.9399 58.5994 29.9816 177.2651 28 T 4.6509 8.5890 104.3361 61.0469 70.1391 174.8061 29 K 5.4909 7.3893 119.6391 54.5333 33.4815 173.6908 30 P 4.2788 0.0000 0.0000 65.2074 32.1173 176.6559 31 E 3.7300 8.2735 117.8089 55.9960 28.8806 176.3840 32 K 4.2883 8.6112 123.8691 56.2395 31.9809 176.7956 33 L 4.3353 9.0252 128.2842 55.6697 42.7946 176.1792 34 E 5.6496 8.6873 119.8906 56.5846 31.6927 174.8471 35 L 4.5961 8.5681 119.2032 54.2336 43.8589 171.9223 36 K 4.8347 8.5863 128.1117 55.9709 33.1265 173.8412 37 K 4.6044 8.9049 129.2328 56.1489 33.2979 175.2569 38 F 5.2305 8.9681 127.5270 57.4683 41.3022 174.9655 39 D 4.4289 7.4400 127.2071 50.5714 40.5039 174.3300 40 P 3.6975 0.0000 0.0000 65.2250 31.6332 178.0005 41 V 3.6163 7.6788 115.8232 65.4062 31.2777 176.5785 42 V 3.9699 7.9958 116.8220 61.8351 32.9322 175.1972 43 R 3.6213 8.0107 118.3535 56.4659 27.3205 176.7417 44 Q 4.7631 7.1086 114.6955 55.0750 33.9805 175.0369 45 H 5.4965 9.7882 122.0468 56.1282 29.4493 174.7894 46 V 4.6874 8.4207 122.1449 59.3600 35.6127 174.7528 47 I 4.3762 8.2244 120.6024 61.6437 38.4983 175.2286 48 Y 5.3337 8.6558 121.7090 55.7316 41.2957 174.1068 49 K 4.6073 8.4935 129.3658 56.1855 35.9220 172.9288 50 E 3.7981 8.9572 122.4696 57.3135 27.9706 173.7702 51 A 4.8676 7.7508 124.4829 51.0140 20.6852 176.3975 52 K 4.0681 8.3745 122.4076 56.2917 32.0946 177.3485 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 8.16 3.09 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 0.66 0.91 0.00 0.00 5 R 8.12 5.33 0.00 1.72 1.90 0.00 3.31 0.00 0.00 3.08 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.55 0.00 6 E 8.46 3.98 0.00 1.98 1.90 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 2.41 2.43 0.00 7 K 8.29 4.92 0.00 1.67 1.81 0.00 1.83 0.00 0.00 2.31 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.29 7.81 8 I 7.83 4.06 1.90 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 1.43 1.69 0.96 0.00 0.00 9 K 8.46 5.14 0.00 2.12 1.88 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 L 8.89 5.19 0.00 1.89 1.95 1.04 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.69 4.42 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 0.89 0.00 0.00 0.95 0.00 0.00 12 S 8.23 3.38 0.00 3.87 3.65 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 13 S 8.34 4.28 0.00 3.83 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 14 A 7.70 4.56 1.18 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 0.00 0.00 0.00 0.00 0.00 15 G 8.45 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 0.00 0.00 0.00 16 T 7.25 4.48 4.21 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 1.30 0.00 0.00 17 G 8.47 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 0.00 0.00 0.00 18 H 8.38 4.60 0.00 3.22 3.40 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 6.95 5.10 0.00 3.36 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 20 Y 8.88 4.63 0.00 2.74 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 21 T 8.42 5.22 4.32 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 1.19 0.00 0.00 22 T 8.94 4.78 4.23 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 1.18 0.00 0.00 23 T 8.47 5.02 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 1.22 0.00 0.00 24 K 8.72 4.51 0.00 1.85 1.71 0.00 1.61 0.00 0.00 1.85 0.00 0.00 3.11 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.36 1.39 7.81 25 N 8.38 5.49 0.00 2.79 2.67 0.00 0.00 6.49 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 8.41 3.97 0.00 1.74 1.98 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.56 7.81 27 R 7.68 4.10 0.00 2.18 1.98 0.00 3.32 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 28 T 8.59 4.65 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 1.24 0.00 0.00 29 K 7.39 5.49 0.00 1.83 1.74 0.00 1.90 0.00 0.00 2.36 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.36 7.81 30 P 0.00 4.28 0.00 2.04 2.12 0.00 3.73 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 2.03 2.25 0.00 31 E 8.27 3.73 0.00 2.11 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 2.39 2.33 0.00 32 K 8.61 4.29 0.00 1.78 1.86 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.45 7.81 33 L 9.03 4.34 0.00 1.56 1.80 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.69 5.65 0.00 2.06 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 2.21 2.16 0.00 35 L 8.57 4.60 0.00 1.62 1.76 0.86 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.59 4.83 0.00 2.02 1.98 0.00 1.63 0.00 0.00 2.46 0.00 0.00 2.87 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.55 1.46 7.81 37 K 8.90 4.60 0.00 1.31 1.26 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.16 1.11 7.81 38 F 8.97 5.23 0.00 2.70 3.02 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 0.00 0.00 0.00 0.00 39 D 7.44 4.43 0.00 2.53 2.37 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 40 P 0.00 3.70 0.00 1.91 2.06 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 41 V 7.68 3.62 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 0.72 0.00 0.00 0.91 0.00 0.00 42 V 8.00 3.97 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 0.82 0.00 0.00 0.90 0.00 0.00 43 R 8.01 3.62 0.00 2.00 2.15 0.00 3.40 0.00 0.00 3.33 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 44 Q 7.11 4.76 0.00 1.97 2.03 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 2.45 2.37 0.00 45 H 9.79 5.50 0.00 3.11 3.43 0.00 5.89 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.42 4.69 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 0.64 0.00 0.00 0.91 0.00 0.00 47 I 8.22 4.38 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.59 0.96 0.00 0.00 48 Y 8.66 5.33 0.00 2.92 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 49 K 8.49 4.61 0.00 1.90 1.72 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.51 7.81 50 E 8.96 3.80 0.00 2.26 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 0.00 2.30 2.65 0.00 51 A 7.75 4.87 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.37 4.07 0.00 1.77 1.78 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.47 7.81