NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5223 0.0000 0.0000 62.4377 32.6347 175.5118 2 F 4.6597 8.8775 114.3487 54.4349 38.0891 172.2703 3 P 4.0900 0.0000 0.0000 65.1367 32.3914 177.2574 4 P 4.3074 0.0000 0.0000 62.5131 31.7448 175.6633 5 T 4.8545 8.3122 119.4469 60.9123 70.3545 172.7340 6 P 3.5831 0.0000 0.0000 61.8967 31.8750 174.3553 7 P 4.5076 0.0000 0.0000 62.0012 32.4203 175.9850 8 G 3.9433 8.1680 108.3384 44.4418 0.0000 174.7427 9 E 3.9781 8.5788 118.4294 59.3275 29.5464 178.9987 10 E 4.0231 8.1382 116.9453 58.7671 29.8363 177.4907 11 A 4.0844 7.3526 121.4434 51.2448 19.1522 175.4882 12 P 4.4059 0.0000 0.0000 62.8290 31.9696 177.9274 13 V 3.7048 8.3678 119.8124 64.8875 31.1193 178.3722 14 E 4.0329 8.1929 119.2025 59.4227 29.2103 178.6354 15 D 4.4350 8.1732 119.0933 57.2092 40.8635 178.5244 16 L 4.0379 7.7689 120.4022 58.1746 42.1043 179.0764 17 I 3.7860 7.7914 119.2585 64.5083 37.1527 178.1819 18 R 3.9658 8.1207 119.5203 59.3040 29.8319 178.1547 19 F 4.0055 8.6265 120.8958 61.5842 39.3052 176.4247 20 Y 4.0251 8.4026 119.0165 60.7355 38.4205 177.8442 21 N 4.3127 8.3109 117.3467 56.5635 38.7793 177.1780 22 D 4.2438 8.4328 120.5957 57.1121 40.7786 178.5206 23 L 3.7001 8.0960 121.2845 58.0445 42.0390 178.7498 24 Q 3.7819 7.9216 119.7115 59.2733 28.4777 178.3683 25 Q 3.9478 7.6891 118.9439 58.8967 28.3777 178.0132 26 Y 4.0857 7.7581 120.4030 60.7350 38.5893 178.3355 27 L 3.9840 7.5413 117.8117 58.0638 41.8701 179.1035 28 N 4.4242 7.7635 114.8004 56.1873 38.4968 177.4480 29 V 3.5090 8.6571 119.7357 64.2595 31.6963 175.9681 30 V 3.1991 8.2234 122.7752 63.1593 32.9507 172.1178 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 P 0.00 4.52 0.00 2.17 2.24 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.14 0.00 2 F 8.88 4.66 0.00 3.15 2.91 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 3 P 0.00 4.09 0.00 1.98 2.07 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 4 P 0.00 4.31 0.00 1.68 1.76 0.00 3.49 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.95 0.00 5 T 8.31 4.85 4.30 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 0.00 0.00 1.31 0.00 0.00 6 P 0.00 3.58 0.00 1.79 1.20 0.00 4.18 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 7 P 0.00 4.51 0.00 2.13 2.06 0.00 3.20 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.12 0.00 8 G 8.17 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.58 3.98 0.00 1.95 2.01 0.00 0.00 0.00 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 2.31 0.00 10 E 8.14 4.02 0.00 1.95 2.01 0.00 0.00 0.00 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 2.30 0.00 11 A 7.35 4.08 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 12 P 0.00 4.41 0.00 2.24 2.22 0.00 3.93 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.98 0.00 13 V 8.37 3.70 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 0.91 0.00 0.00 0.93 0.00 0.00 14 E 8.19 4.03 0.00 2.05 2.06 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 2.41 2.41 0.00 15 D 8.17 4.44 0.00 2.88 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.77 4.04 0.00 1.71 1.77 1.04 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.79 3.79 2.08 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 1.53 0.88 0.96 0.00 0.00 18 R 8.12 3.97 0.00 1.99 2.16 0.00 3.17 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 19 F 8.63 4.01 0.00 3.33 3.31 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 20 Y 8.40 4.03 0.00 3.27 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 21 N 8.31 4.31 0.00 3.02 2.87 0.00 0.00 7.09 7.67 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 22 D 8.43 4.24 0.00 2.43 2.52 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 23 L 8.10 3.70 0.00 1.31 1.44 0.72 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 7.92 3.78 0.00 1.85 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.63 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 25 Q 7.69 3.95 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.52 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 26 Y 7.76 4.09 0.00 3.08 3.15 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 0.00 0.00 0.00 0.00 27 L 7.54 3.98 0.00 1.77 1.71 0.93 1.63 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 28 N 7.76 4.42 0.00 2.67 2.83 0.00 0.00 7.13 7.62 0.00 0.00 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 V 8.66 3.51 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 0.64 0.00 0.00 0.85 0.00 0.00 30 V 8.22 3.20 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 0.63 0.00 0.00 0.89 0.00 0.00