NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2821 8.1744 115.2336 62.2043 68.6741 172.5621 2 R 4.5426 8.2433 122.0656 55.6085 30.1013 173.4891 3 Y 4.4760 8.7361 113.3192 58.2468 39.2298 176.1613 4 L 4.7995 7.5450 119.6316 54.0453 42.3214 177.1443 5 R 4.6240 7.7708 116.5756 57.1774 37.7400 175.4517 6 I 3.0424 7.4670 115.7331 61.5854 38.0089 174.8051 7 H 4.4096 8.1489 125.2855 54.8703 28.4703 173.5703 8 P 4.3131 0.0000 0.0000 65.4527 31.7942 178.3511 9 Q 3.8530 8.1711 119.4224 59.0400 29.4191 177.3985 10 S 4.4262 8.0171 111.5689 60.0582 63.5286 175.9445 11 W 4.9246 7.8140 132.2201 59.7340 30.4157 177.9837 12 V 3.8681 8.0439 117.7520 65.1839 30.7355 176.0410 13 H 4.7015 7.5031 116.0550 56.1424 29.9183 175.5496 14 Q 4.4492 7.5132 118.9080 56.5660 30.1566 177.7435 15 I 3.3864 7.2539 120.8968 64.2355 37.4486 177.9165 16 A 3.9770 7.6729 121.0155 55.1945 17.8525 179.6215 17 L 3.9962 7.6422 116.2562 57.5555 42.0068 178.8574 18 R 4.1290 7.3882 117.4249 58.0599 30.0940 177.0812 19 M 4.5305 7.5713 117.3007 54.6361 33.4848 175.3265 20 E 3.6795 8.5297 115.4022 58.0779 27.2939 175.1133 21 V 3.7188 7.5492 122.8361 62.2909 33.4562 172.7470 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 T 8.17 4.28 3.98 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 1.06 0.00 0.00 2 R 8.24 4.54 0.00 1.85 1.85 0.00 3.27 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.70 0.00 3 Y 8.74 4.48 0.00 2.92 2.87 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 4 L 7.55 4.80 0.00 1.60 1.65 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.77 4.62 0.00 1.65 1.78 0.00 3.23 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 6 I 7.47 3.04 1.24 0.00 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.12 0.46 0.00 0.00 7 H 8.15 4.41 0.00 3.16 3.22 0.00 5.95 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.31 0.00 2.20 2.20 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 9 Q 8.17 3.85 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.13 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 10 S 8.02 4.43 0.00 4.09 4.15 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 11 W 7.81 4.92 0.00 3.29 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.04 3.87 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.09 0.00 0.00 13 H 7.50 4.70 0.00 3.31 3.25 0.00 5.94 0.00 0.00 0.00 0.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.51 4.45 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.03 6.60 0.00 0.00 0.00 0.00 0.00 2.10 1.83 0.00 15 I 7.25 3.39 1.66 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.44 0.79 0.00 0.00 16 A 7.67 3.98 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 4.00 0.00 1.59 1.71 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.39 4.13 0.00 1.67 1.98 0.00 3.15 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 19 M 7.57 4.53 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 20 E 8.53 3.68 0.00 2.10 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 2.20 2.21 0.00 21 V 7.55 3.72 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 0.59 0.00 0.00 0.92 0.00 0.00