NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2981 8.2493 123.5817 50.9903 19.7846 176.5463 7 P 4.3517 0.0000 0.0000 60.6602 31.8573 175.3357 8 D 4.7581 8.7312 123.5606 52.0395 43.8619 177.5151 9 F 4.0382 8.7246 119.6806 62.3143 39.1864 177.0342 10 H 4.4610 8.1349 115.1224 58.9374 28.3422 177.4631 11 D 4.3301 8.6631 121.0018 57.1090 40.4345 178.9979 12 K 3.6624 7.6382 117.8036 59.1091 32.3742 178.3467 13 Y 4.6722 7.7914 114.5903 57.3040 38.6283 177.7313 14 G 3.9011 7.9660 108.2959 48.3784 0.0000 175.3679 15 N 4.3484 8.2205 118.6861 55.6754 38.4945 177.3275 16 A 3.9944 7.9054 121.5182 55.1649 18.6414 179.5953 17 V 3.5671 8.0197 116.9557 66.0277 31.5910 177.9908 18 L 3.9336 8.1433 119.7277 58.0673 41.9854 178.7393 19 A 4.0120 8.0668 120.8305 55.3685 18.4702 179.7728 20 S 4.3977 8.5713 112.5664 60.6915 63.2252 176.8846 21 G 3.6120 8.1919 109.9986 47.7975 0.0000 175.7322 22 A 4.0994 8.1943 123.7070 54.9786 18.3712 179.8507 23 T 3.8423 8.0125 114.2638 66.7713 68.5186 176.5489 24 F 4.2371 8.3110 122.4780 61.4472 39.4312 176.4478 25 C 4.0405 8.3248 118.1772 62.6761 31.4159 175.7090 26 V 3.6211 7.9061 119.3573 65.8749 31.1055 177.7320 27 A 4.0195 8.1402 120.6491 55.3571 18.2544 180.1230 28 V 3.5613 7.7822 117.7113 64.5751 31.3135 178.6144 29 W 3.8664 8.3293 119.8164 59.4425 29.0342 178.7019 30 V 3.6613 8.1443 118.3777 65.9332 30.8533 177.5068 31 Y 4.0367 8.1297 119.3761 61.0033 38.5118 177.6496 32 M 3.8225 8.1397 117.6218 58.6500 32.3643 177.7751 33 A 4.7240 8.3690 120.3404 54.4004 18.6628 178.0461 34 T 4.5398 7.7957 104.4042 61.4740 70.5598 174.7634 35 Q 4.3933 8.0912 119.7094 55.5253 29.2650 175.7109 36 I 4.2039 7.5166 109.9657 60.3026 37.9785 175.8724 37 G 3.7941 8.2511 107.4008 46.3012 0.0000 173.6854 38 I 3.5251 7.4541 120.1395 60.4320 37.5207 175.3603 39 E 4.2320 8.1917 126.5170 54.6807 29.0945 175.6475 40 W 4.1815 8.6442 127.1446 57.2645 30.2061 176.1204 41 N 4.1108 7.9140 115.9410 53.9270 36.6947 170.8385 42 P 4.5971 0.0000 0.0000 61.8341 33.0267 176.6818 43 S 4.2449 8.3032 113.4286 57.8345 62.8434 172.5196 44 P 4.3307 0.0000 0.0000 64.6723 31.5393 176.5512 45 V 3.6654 7.3007 118.0340 64.5358 31.3723 176.4000 46 G 4.0840 9.0607 115.5382 45.4467 0.0000 173.6706 47 R 4.4169 8.1371 114.9185 56.3092 31.3973 176.4013 48 V 4.1330 7.5900 117.0076 61.2761 32.8500 175.0252 49 T 4.3540 8.2496 123.7040 61.3146 68.3913 172.9790 50 P 4.2900 0.0000 0.0000 62.8074 31.8797 175.9286 51 K 4.6673 8.3481 122.9574 53.9192 34.7342 175.4200 52 E 4.0768 8.8492 124.4580 56.7848 29.8696 176.8313 53 W 4.6658 8.0888 118.9661 57.2504 30.4996 175.4548 54 R 3.3407 6.2301 122.2777 55.9885 29.2901 175.7087 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 6 A 8.25 4.30 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 7 P 0.00 4.35 0.00 2.20 2.04 0.00 3.35 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 8 D 8.73 4.76 0.00 2.95 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 9 F 8.72 4.04 0.00 3.23 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.46 0.00 3.39 3.42 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.66 4.33 0.00 2.75 2.65 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 12 K 7.64 3.66 0.00 0.93 0.74 0.00 1.42 0.00 0.00 1.34 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.18 1.43 7.81 13 Y 7.79 4.67 0.00 2.04 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.97 3.90 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 0.00 0.00 0.00 15 N 8.22 4.35 0.00 2.74 2.90 0.00 0.00 6.88 7.25 0.00 0.00 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 A 7.91 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.02 3.57 2.32 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 1.08 0.00 0.00 1.14 0.00 0.00 18 L 8.14 3.93 0.00 1.85 1.82 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.07 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.57 4.40 0.00 4.07 4.16 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 21 G 8.19 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 4.10 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.01 3.84 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 24 F 8.31 4.24 0.00 3.20 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.32 4.04 0.00 3.30 3.13 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 0.00 26 V 7.91 3.62 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 0.98 0.00 0.00 0.97 0.00 0.00 27 A 8.14 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 3.56 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.73 0.00 0.00 29 W 8.33 3.87 0.00 3.55 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.14 3.66 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.00 0.00 0.00 31 Y 8.13 4.04 0.00 3.10 3.13 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 0.00 32 M 8.14 3.82 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 33 A 8.37 4.72 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.80 4.54 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 35 Q 8.09 4.39 0.00 1.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.08 0.00 0.00 0.00 0.00 0.00 2.18 2.45 0.00 36 I 7.52 4.20 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.53 0.63 0.00 0.00 37 G 8.25 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.45 3.53 1.60 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.38 -0.36 0.00 0.00 39 E 8.19 4.23 0.00 1.80 1.75 0.00 0.00 0.00 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 2.34 0.00 40 W 8.64 4.18 0.00 3.37 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 41 N 7.91 4.11 0.00 2.80 2.84 0.00 0.00 7.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.60 0.00 2.24 2.10 0.00 3.91 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 43 S 8.30 4.24 0.00 3.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.33 0.00 2.22 2.08 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 45 V 7.30 3.67 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 0.73 0.00 0.00 0.93 0.00 0.00 46 G 9.06 4.08 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 0.00 0.00 0.00 47 R 8.14 4.42 0.00 1.87 2.03 0.00 3.07 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 48 V 7.59 4.13 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 0.86 0.00 0.00 0.94 0.00 0.00 49 T 8.25 4.35 4.26 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 1.23 0.00 0.00 50 P 0.00 4.29 0.00 2.08 2.06 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 51 K 8.35 4.67 0.00 1.71 1.70 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.45 7.81 52 E 8.85 4.08 0.00 1.97 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 53 W 8.09 4.67 0.00 3.54 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.23 3.34 0.00 0.67 0.75 0.00 3.06 0.00 0.00 3.03 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.09 0.00