NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9991 8.2127 109.7438 45.5089 0.0000 173.5564 2 I 3.3570 8.1118 117.5553 63.1971 37.6071 173.7167 3 V 3.5341 8.4179 120.1291 65.9151 31.3614 177.3181 4 E 4.1841 7.9760 119.2670 58.9702 29.1948 178.9824 5 Q 3.8873 8.0504 116.8301 57.7873 29.0343 176.7066 6 C 4.8940 8.4583 115.5321 56.7739 42.3348 174.3360 7 C 4.4137 7.7577 119.0007 61.3431 32.1975 174.8998 8 T 4.0541 8.2516 110.2029 63.3870 68.6923 173.9161 9 S 4.9830 7.2152 114.6463 55.6207 66.1530 173.4650 10 I 3.7889 8.0931 121.6343 61.2965 37.1503 177.1754 11 C 4.8083 8.5675 125.4187 56.4550 42.2209 172.5070 12 S 4.8010 8.0112 115.2758 55.8663 66.5912 174.7924 13 L 4.0027 8.5413 124.2982 58.2914 41.6631 178.4656 14 Y 3.9166 8.0503 118.3544 60.9152 39.0670 177.9020 15 Q 4.3162 8.1169 118.8419 59.0079 28.8481 178.4908 16 L 4.1906 8.0260 120.0476 58.1373 41.6352 179.4530 17 E 4.0662 8.2901 117.5722 58.6493 29.1108 178.6820 18 N 4.2568 7.8903 115.7825 55.0119 38.5985 175.0748 19 Y 4.5141 7.5201 116.2918 57.7392 38.6956 175.6952 20 C 4.4790 7.4380 118.2919 59.1762 29.1754 173.5127 21 N 4.5274 8.5364 117.9359 53.7351 38.2552 175.3811 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 1 G 8.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.11 3.36 0.63 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.34 0.62 0.00 0.00 3 V 8.42 3.53 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 1.08 0.00 0.00 0.88 0.00 0.00 4 E 7.98 4.18 0.00 2.30 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 2.41 2.32 0.00 5 Q 8.05 3.89 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.67 2.64 0.00 6 C 8.46 4.89 0.00 3.02 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 7 C 7.76 4.41 0.00 2.89 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.25 4.05 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 9 S 7.22 4.98 0.00 3.80 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 10 I 8.09 3.79 1.88 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 1.30 0.54 0.92 0.00 0.00 11 C 8.57 4.81 0.00 3.11 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 12 S 8.01 4.80 0.00 4.10 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 13 L 8.54 4.00 0.00 1.81 1.76 0.94 0.76 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 14 Y 8.05 3.92 0.00 3.06 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 Q 8.12 4.32 0.00 2.35 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.54 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 16 L 8.03 4.19 0.00 1.92 1.79 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.29 4.07 0.00 1.90 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 2.30 2.45 0.00 18 N 7.89 4.26 0.00 2.54 2.32 0.00 0.00 6.87 6.96 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 19 Y 7.52 4.51 0.00 3.12 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 20 C 7.44 4.48 0.00 2.89 2.85 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 21 N 8.54 4.53 0.00 2.71 2.72 0.00 0.00 6.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00