NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 4.0327 8.0549 120.3979 62.7199 32.6656 174.4630 5 S 4.3705 8.6518 123.3277 56.4194 63.8483 168.3792 6 V 4.1538 8.5831 125.5878 61.2058 32.7509 174.0080 7 D 4.7691 8.6678 127.9401 53.4133 41.7256 176.6908 8 C 5.0919 8.4404 125.6448 56.9648 40.8903 176.1071 9 S 4.0778 8.4495 117.4594 60.7309 62.4744 175.1676 10 E 4.3815 8.2289 117.8204 56.3186 29.8324 175.4439 11 Y 4.3159 7.7961 117.5896 55.7383 39.3258 173.2723 12 P 4.8247 0.0000 0.0000 62.7259 32.2397 175.8778 13 K 4.5590 9.1652 118.8160 54.1110 35.2113 175.2698 14 P 4.4523 0.0000 0.0000 63.7848 32.0159 175.9645 15 A 4.7895 7.7385 121.4402 50.4900 21.7005 175.7569 16 C 5.1644 8.5131 118.6521 54.8324 44.1254 174.3235 17 T 4.2687 8.4421 112.2684 62.0745 69.0048 173.8174 18 L 4.7724 8.1410 120.5807 54.4522 42.3372 177.0394 19 E 4.1882 8.2584 115.8396 56.2538 30.3926 175.4684 20 Y 4.8833 8.4213 120.9473 56.4033 39.6904 175.7643 21 R 4.6679 8.5178 127.7919 53.1593 31.3772 172.9408 22 P 4.5168 0.0000 0.0000 63.0030 32.9419 176.0464 23 L 4.7658 8.7737 120.6092 52.9949 45.8394 174.5251 24 C 4.8674 8.7768 123.5781 55.2400 46.3653 173.6594 25 G 4.7256 9.5965 114.4213 44.0790 0.0000 174.6520 26 S 4.3326 9.4188 115.1442 60.5456 62.9547 175.1784 27 D 4.4764 8.1718 119.7739 53.6165 39.6811 175.8347 28 N 4.1510 8.2021 117.6292 54.9728 37.8248 173.3365 29 K 4.6091 8.0964 114.2171 54.3595 35.5551 175.4693 30 T 4.7131 8.2007 120.5347 62.9776 69.6133 173.6046 31 Y 4.4328 8.8459 124.9962 56.0209 39.6455 177.3934 32 G 3.7354 9.0389 113.3246 48.7109 0.0000 172.3218 33 N 5.5306 7.8997 117.1883 51.6158 41.0904 175.1586 34 K 4.0968 8.5381 119.3710 60.0612 32.5101 179.6614 35 C 4.4089 8.2664 120.7275 59.0505 38.0790 174.6794 36 N 4.2816 8.4253 118.6745 56.8218 38.5544 176.4915 37 F 3.4958 8.2088 121.8849 61.3419 39.4369 176.5130 38 C 3.6771 7.8133 116.0619 59.7087 38.0227 175.7942 39 N 4.2325 7.7463 117.8996 56.2586 37.8850 177.3266 40 A 4.0196 7.1632 120.9691 54.5342 18.6109 179.6734 41 V 3.2752 7.0280 116.9666 66.2955 31.3965 178.8248 42 V 3.6089 7.3031 110.5664 64.0895 31.3901 177.7696 43 E 4.1494 7.5663 116.9934 58.0991 29.6277 177.6806 44 S 4.3640 7.4349 111.7994 57.6537 63.5862 173.2945 45 N 4.0464 8.6045 119.3828 55.0494 36.7892 174.0533 46 G 3.8628 8.2473 101.0312 46.3477 0.0000 175.3493 47 T 4.0604 7.4594 114.8938 62.7350 67.7492 174.4787 48 L 4.4713 7.6084 123.3477 53.7768 43.2236 175.1397 49 T 4.8537 9.0191 115.7590 59.4259 72.6547 172.6250 50 L 4.1315 8.5281 124.7801 55.3083 42.1308 176.3228 51 S 4.4837 8.6762 122.1442 60.3473 63.2253 173.3925 52 H 4.4819 7.0953 112.7437 55.1163 30.6651 173.9202 53 F 3.9326 9.1453 117.9843 58.2040 39.3701 176.4510 54 G 4.0205 8.4185 108.7281 44.7833 0.0000 173.6061 55 K 4.0290 8.1550 117.7053 56.3963 32.6097 178.2490 56 C 4.5304 8.3737 118.0345 57.4612 41.0225 173.7683 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 4 V 8.05 4.03 1.94 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 0.96 0.00 0.00 0.81 0.00 0.00 5 S 8.65 4.37 0.00 4.01 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.58 4.15 2.20 0.00 0.00 0.00 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 1.04 0.00 0.00 7 D 8.67 4.77 0.00 2.69 2.62 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 0.00 0.00 0.00 0.00 8 C 8.44 5.09 0.00 2.93 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.08 0.00 4.24 3.95 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 0.00 0.00 0.00 0.00 10 E 8.23 4.38 0.00 1.64 1.84 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 2.21 2.38 0.00 11 Y 7.80 4.32 0.00 3.15 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 4.82 0.00 2.21 2.10 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 13 K 9.17 4.56 0.00 1.66 1.62 0.00 1.03 0.00 0.00 1.53 0.00 0.00 2.71 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.04 0.52 7.81 14 P 0.00 4.45 0.00 2.18 2.17 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 15 A 7.74 4.79 1.22 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 0.00 0.00 16 C 8.51 5.16 0.00 2.98 3.03 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 0.00 0.00 0.00 17 T 8.44 4.27 4.28 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 1.24 0.00 0.00 18 L 8.14 4.77 0.00 1.67 1.74 0.95 0.99 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 19 E 8.26 4.19 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 20 Y 8.42 4.88 0.00 2.87 2.92 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 21 R 8.52 4.67 0.00 1.72 1.77 0.00 3.22 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 22 P 0.00 4.52 0.00 1.89 1.66 0.00 3.29 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.39 0.00 23 L 8.77 4.77 0.00 1.24 0.75 0.91 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.78 4.87 0.00 2.78 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.60 4.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.42 4.33 0.00 3.97 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.17 4.48 0.00 2.99 3.02 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 0.00 0.00 0.00 28 N 8.20 4.15 0.00 2.90 2.98 0.00 0.00 6.96 6.23 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 29 K 8.10 4.61 0.00 2.09 1.13 0.00 1.72 0.00 0.00 2.14 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.38 7.81 30 T 8.20 4.71 4.17 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 0.00 0.00 0.00 1.17 0.00 0.00 31 Y 8.85 4.43 0.00 3.10 3.08 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 0.00 0.00 0.00 0.00 32 G 9.04 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.90 5.53 0.00 3.00 3.10 0.00 0.00 6.49 6.65 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 34 K 8.54 4.10 0.00 2.06 2.17 0.00 1.60 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.57 1.59 7.81 35 C 8.27 4.41 0.00 3.21 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.43 4.28 0.00 3.02 3.13 0.00 0.00 6.91 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.21 3.50 0.00 3.06 3.03 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 0.00 0.00 0.00 38 C 7.81 3.68 0.00 1.59 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.75 4.23 0.00 2.88 2.88 0.00 0.00 6.92 7.65 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 40 A 7.16 4.02 1.02 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 0.00 0.00 0.00 0.00 0.00 41 V 7.03 3.28 1.69 0.00 0.00 0.00 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 -0.12 0.00 0.00 42 V 7.30 3.61 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 0.80 0.00 0.00 1.06 0.00 0.00 43 E 7.57 4.15 0.00 2.12 1.91 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 2.30 2.29 0.00 44 S 7.43 4.36 0.00 3.98 4.02 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 0.00 0.00 0.00 45 N 8.60 4.05 0.00 2.83 2.91 0.00 0.00 7.07 7.98 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 46 G 8.25 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.46 4.06 4.29 0.00 0.00 0.00 0.00 0.00 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 48 L 7.61 4.47 0.00 1.53 1.34 1.08 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 49 T 9.02 4.85 4.27 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 1.22 0.00 0.00 50 L 8.53 4.13 0.00 1.41 1.50 0.08 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.68 4.48 0.00 3.92 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 7.10 4.48 0.00 3.27 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 9.15 3.93 0.00 3.07 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 54 G 8.42 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.15 4.03 0.00 1.78 1.79 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.49 7.81 56 C 8.37 4.53 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00