NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3207 8.0327 117.3744 63.3878 69.6136 175.0352 2 S 3.8872 9.1234 129.3211 60.9232 63.6415 173.6334 3 A 4.0733 7.8756 123.4740 54.8220 19.3770 178.6862 4 Q 4.2945 8.1974 114.2168 58.7157 28.5345 177.4860 5 K 4.5414 7.4970 117.6766 56.2489 32.5799 176.6746 6 A 4.4426 7.9414 131.6170 51.9337 22.8688 179.4397 7 K 3.6256 8.2364 117.1291 60.0800 31.7900 178.3737 8 A 4.0183 8.0370 119.1874 54.8976 18.3664 178.3517 9 E 4.1814 9.1227 118.3959 58.2502 30.0424 177.9479 10 E 3.9509 8.0393 119.4442 58.8636 29.5577 178.4960 11 R 4.0612 7.9317 118.3671 58.7164 28.8935 177.9575 12 K 3.8480 7.7389 118.5585 59.1369 31.7533 178.5882 13 R 4.3636 7.4054 115.8625 57.5756 30.6596 178.1397 14 R 4.2785 7.6759 117.0318 58.0809 30.5892 178.7216 15 K 4.0590 8.8326 119.0234 59.3167 31.7975 178.7245 16 M 3.8696 7.0922 116.1728 58.0275 32.2795 175.9465 17 S 4.5808 7.9551 110.0530 59.6966 64.5923 176.0001 18 R 4.5943 7.7738 118.2622 56.4535 30.2006 178.8091 19 G 3.6467 7.7590 108.0664 45.9490 0.0000 174.7176 20 L 3.9639 7.3138 124.0346 55.3274 42.3398 174.1998 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 8.03 4.32 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 2 S 9.12 3.89 0.00 3.93 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 3 A 7.88 4.07 1.31 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 0.00 0.00 4 Q 8.20 4.29 0.00 2.24 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 7.00 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 5 K 7.50 4.54 0.00 1.87 1.86 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.42 7.81 6 A 7.94 4.44 1.24 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 0.00 0.00 7 K 8.24 3.63 0.00 1.96 1.86 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.23 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.54 7.81 8 A 8.04 4.02 1.31 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 0.00 0.00 9 E 9.12 4.18 0.00 1.93 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 10 E 8.04 3.95 0.00 2.10 2.11 0.00 0.00 0.00 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 2.31 0.00 11 R 7.93 4.06 0.00 1.92 1.90 0.00 3.25 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 12 K 7.74 3.85 0.00 2.04 1.87 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.50 7.81 13 R 7.41 4.36 0.00 1.88 1.98 0.00 3.36 0.00 0.00 3.36 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 14 R 7.68 4.28 0.00 1.94 1.96 0.00 3.12 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 15 K 8.83 4.06 0.00 1.91 1.85 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.44 7.81 16 M 7.09 3.87 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 17 S 7.96 4.58 0.00 3.86 3.77 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 18 R 7.77 4.59 0.00 1.86 1.91 0.00 3.18 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 19 G 7.76 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 0.00 0.00 0.00 20 L 7.31 3.96 0.00 1.91 1.65 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00