NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7425 8.1827 119.3885 57.1699 40.4677 175.3662 2 V 3.5329 8.5518 125.7863 64.0885 31.3884 176.1026 3 N 4.3470 8.5199 116.7728 56.2406 37.3762 176.3751 4 Q 3.9897 8.1739 121.5348 58.8784 29.1022 177.2730 5 H 4.1851 8.2465 119.2881 59.4833 29.6471 177.2655 6 L 3.9743 8.4224 121.0626 57.7572 41.4258 178.9346 7 C 4.2242 8.3470 118.8555 62.6068 31.5189 175.8126 8 G 3.7520 8.4938 107.6194 47.9134 0.0000 175.4436 9 S 3.9365 7.7588 115.2297 61.5489 62.3865 176.1053 10 H 4.1129 7.9065 118.6984 58.5221 28.4159 177.5056 11 L 3.9174 8.2333 121.3157 58.2357 41.4832 180.2377 12 V 3.2370 7.5962 111.9389 64.0541 31.4829 178.3244 13 E 3.9048 7.8848 119.2010 59.0887 29.3656 178.7968 14 A 3.9826 8.0133 120.9066 55.0288 18.4515 179.5430 15 L 3.7002 7.9963 117.9624 57.8356 41.2531 178.8182 16 Y 4.3761 7.7528 119.5776 61.1026 38.4447 178.6000 17 L 3.9271 7.5991 117.8630 57.6138 41.8660 179.4965 18 V 3.7867 7.8620 118.4652 64.8493 31.7855 178.0170 19 C 4.3030 8.8085 117.6948 60.7116 28.5218 174.9059 20 G 3.6337 8.1501 108.6482 46.2277 0.0000 176.4961 21 E 4.0597 8.8668 121.3210 59.0050 29.6326 178.4411 22 R 3.8972 7.7448 117.5580 57.1016 30.3418 178.1554 23 G 3.9677 8.4930 106.2927 45.1069 0.0000 171.6884 24 F 4.9110 7.7083 112.2097 55.9157 40.5125 173.0731 25 F 4.9591 8.9624 122.2443 56.6799 40.5651 173.5313 26 Y 4.4978 8.9331 130.6223 56.4724 38.5666 175.2891 27 T 4.0343 7.1561 117.7561 58.8405 69.1339 171.6222 28 P 4.0358 0.0000 0.0000 65.1573 32.1344 177.1942 29 K 4.1082 7.7368 122.1638 56.4667 32.1105 176.3884 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 F 8.18 4.74 0.00 3.16 3.24 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 2 V 8.55 3.53 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.95 0.00 0.00 3 N 8.52 4.35 0.00 2.97 3.11 0.00 0.00 5.90 7.53 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 4 Q 8.17 3.99 0.00 2.23 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 5 H 8.25 4.19 0.00 3.36 3.54 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.42 3.97 0.00 1.73 1.74 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.35 4.22 0.00 3.01 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 8 G 8.49 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 0.00 0.00 0.00 9 S 7.76 3.94 0.00 3.69 3.92 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 10 H 7.91 4.11 0.00 3.33 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.23 3.92 0.00 1.76 1.70 1.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.60 3.24 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 0.09 0.00 0.00 0.83 0.00 0.00 13 E 7.88 3.90 0.00 1.95 2.02 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 2.29 2.39 0.00 14 A 8.01 3.98 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 15 L 8.00 3.70 0.00 0.61 0.75 0.69 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.75 4.38 0.00 3.26 3.22 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 17 L 7.60 3.93 0.00 1.81 1.68 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.86 3.79 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 0.78 0.00 0.00 0.91 0.00 0.00 19 C 8.81 4.30 0.00 3.21 3.33 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 20 G 8.15 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.87 4.06 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 2.32 0.00 22 R 7.74 3.90 0.00 1.97 2.04 0.00 3.30 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 23 G 8.49 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 7.71 4.91 0.00 3.25 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 25 F 8.96 4.96 0.00 2.87 3.07 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 0.00 0.00 0.00 0.00 26 Y 8.93 4.50 0.00 3.26 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 27 T 7.16 4.03 3.84 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 0.04 0.00 0.00 28 P 0.00 4.04 0.00 2.12 1.91 0.00 3.45 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.93 0.00 29 K 7.74 4.11 0.00 1.98 1.73 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.00 7.81