NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7696 8.1827 119.3855 57.1552 40.5087 175.1963 2 V 3.5460 8.6472 125.6834 64.1790 31.3793 176.0486 3 N 4.3658 9.1742 117.7338 56.5727 37.4480 176.6595 4 Q 4.0900 8.2023 120.5883 58.2490 28.9873 177.9259 5 Y 4.1438 8.1679 120.2964 60.7746 38.4891 178.1969 6 L 4.0090 8.4863 120.2641 57.6741 41.6416 178.9483 7 C 4.2244 8.3291 118.9172 62.4747 31.5489 175.6668 8 G 3.6959 8.1862 107.3114 48.0997 0.0000 175.3723 9 S 3.8977 7.7474 114.9117 61.4361 62.3640 176.0233 10 H 4.2645 7.9298 118.4128 58.3641 28.4223 177.7300 11 L 3.9231 8.0977 121.3775 57.9739 41.5103 180.0391 12 V 3.3295 7.6085 112.1056 64.1098 31.0973 178.5202 13 E 4.0275 7.7429 117.5406 59.0608 29.3903 179.0909 14 A 3.9964 7.9148 120.9387 55.0188 18.3483 179.6673 15 L 3.7094 7.8769 117.7099 57.6826 41.4102 178.9457 16 Y 4.2677 7.8539 119.5170 60.9291 38.5360 178.4179 17 L 3.8762 7.4495 118.0971 57.6870 41.7855 179.4605 18 V 3.7142 7.3503 116.6554 66.1533 31.8857 177.6389 19 C 4.3239 8.5046 116.1278 58.7052 27.8660 176.3062 20 G 3.6691 8.0534 108.0056 46.5253 0.0000 176.8922 21 E 4.0713 9.0010 125.8771 57.9677 29.8056 177.3181 22 R 3.9495 7.9581 117.7113 57.2824 30.4008 177.8568 23 G 3.9330 8.7320 105.4570 45.3697 0.0000 171.8938 24 F 4.9433 7.7529 111.2573 56.2224 40.1711 172.8855 25 F 4.6325 8.9921 120.0456 55.8258 40.7564 174.6793 26 Y 4.8759 8.7443 126.1522 56.0571 39.7719 174.8218 27 T 4.2253 7.8714 117.5298 58.9127 69.9655 171.9308 28 P 4.2476 0.0000 0.0000 64.6272 32.2347 176.8050 29 K 4.5340 7.4791 116.5516 58.2440 32.7541 176.0680 30 T 3.8518 7.8602 119.1560 64.1722 68.5720 173.0085 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 4.77 0.00 3.18 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 3.55 2.15 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 1.24 0.00 0.00 0.92 0.00 0.00 3 N 9.17 4.37 0.00 2.99 3.13 0.00 0.00 6.25 7.32 0.00 0.00 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 4.09 0.00 2.30 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 5 Y 8.17 4.14 0.00 3.28 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 6 L 8.49 4.01 0.00 1.79 1.76 1.00 1.24 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 7 C 8.33 4.22 0.00 3.03 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 8 G 8.19 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 3.90 0.00 3.67 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 10 H 7.93 4.26 0.00 3.31 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.10 3.92 0.00 1.73 1.64 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.61 3.33 2.07 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 0.12 0.00 0.00 0.84 0.00 0.00 13 E 7.74 4.03 0.00 2.20 1.96 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 0.00 2.23 2.44 0.00 14 A 7.91 4.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 3.71 0.00 0.78 0.54 0.73 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.85 4.27 0.00 3.27 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 17 L 7.45 3.88 0.00 1.82 1.70 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.35 3.71 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 0.80 0.00 0.00 0.95 0.00 0.00 19 C 8.50 4.32 0.00 3.18 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.00 4.07 0.00 1.92 1.97 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 2.28 2.31 0.00 22 R 7.96 3.95 0.00 2.03 2.02 0.00 3.34 0.00 0.00 3.48 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 23 G 8.73 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 0.00 0.00 0.00 24 F 7.75 4.94 0.00 3.22 3.01 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 0.00 0.00 0.00 25 F 8.99 4.63 0.00 3.01 3.05 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 0.00 0.00 0.00 0.00 26 Y 8.74 4.88 0.00 3.25 3.09 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 0.00 0.00 0.00 0.00 27 T 7.87 4.23 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 28 P 0.00 4.25 0.00 2.22 2.23 0.00 3.49 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 29 K 7.48 4.53 0.00 1.71 1.77 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.46 7.81 30 T 7.86 3.85 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00