NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2927 8.2493 123.5816 50.9548 19.6459 176.5697 7 P 4.2769 0.0000 0.0000 61.6177 31.7647 174.6665 8 D 4.7921 9.1621 123.8115 51.8865 43.0224 177.4764 9 F 4.0318 8.8970 119.2832 62.3764 39.0422 177.2426 10 H 4.4209 8.2299 115.1744 58.8681 28.3310 177.4846 11 D 4.2995 8.2139 120.0539 57.1861 40.7746 178.7108 12 K 3.7630 7.6601 117.6084 59.0319 32.2691 178.2649 13 Y 4.7395 7.9046 114.8521 57.3854 39.1222 177.9296 14 G 4.0356 8.0285 108.0400 48.3074 0.0000 175.2525 15 N 4.3265 8.2430 118.6360 55.6763 38.5068 177.2292 16 A 3.9723 7.9343 121.4356 55.2364 18.6490 179.4668 17 V 3.5514 8.0241 116.9236 66.1086 31.5537 177.9155 18 L 3.9267 8.3023 119.8623 58.1799 42.0179 178.6655 19 A 3.9967 8.1410 120.8284 55.4019 18.4161 179.8828 20 S 4.3108 8.5521 112.7585 61.1339 63.0764 176.9644 21 G 3.6190 8.2237 109.5500 47.7416 0.0000 175.6362 22 A 4.0885 8.1112 123.7233 55.0132 18.3387 179.9016 23 T 3.8350 8.1017 114.2081 66.6982 68.5038 176.5953 24 F 4.2366 8.4664 122.5443 61.5481 39.4546 176.2179 25 C 3.9284 8.2389 118.2026 62.8379 31.2955 175.7889 26 V 3.6183 7.8132 118.9364 65.8927 31.1196 177.7340 27 A 4.0325 8.1869 120.7068 55.3660 18.3253 180.0948 28 V 3.5349 7.8635 117.8256 64.6008 31.2630 178.6421 29 W 3.7847 8.4583 119.7441 59.4169 29.0233 178.7036 30 V 3.6625 8.1443 118.3284 66.0801 30.8765 177.4265 31 Y 4.0298 8.2498 119.3483 60.9403 38.4458 177.7654 32 M 3.8175 7.9393 117.6447 58.5969 32.4047 177.8123 33 A 4.6268 8.3447 120.3960 54.3800 18.6812 178.5490 34 T 4.5938 7.7446 104.6412 61.4570 70.3013 174.6537 35 Q 4.3954 7.9540 119.2749 55.5776 29.6883 175.7513 36 I 4.1817 7.5369 110.0610 60.1638 38.0317 175.5847 37 G 3.7485 8.1094 107.8032 46.6905 0.0000 173.7831 38 I 3.6185 7.5508 120.0413 60.2706 37.7294 175.4470 39 E 4.2772 8.2513 126.2852 54.7369 29.3804 175.6237 40 W 4.1676 8.7264 127.2794 57.2203 30.2384 176.0373 41 N 4.1171 8.2783 115.5310 53.9126 36.5100 170.8206 42 P 4.6036 0.0000 0.0000 61.8520 33.0671 176.5300 43 S 4.2556 8.2856 113.3786 57.7754 62.8788 172.4688 44 P 4.3047 0.0000 0.0000 64.7295 31.5201 176.2835 45 V 3.6803 7.7617 117.7021 64.6742 31.2222 176.0586 46 G 4.0832 9.0888 116.0255 45.3174 0.0000 173.4841 47 R 4.4039 8.1448 114.9277 56.5990 31.3555 176.5025 48 V 4.0746 7.6000 116.9404 61.4530 32.6903 174.9012 49 T 4.4069 8.2270 123.5421 61.1390 68.8666 172.9807 50 P 4.2949 0.0000 0.0000 62.8107 31.8619 175.8244 51 K 4.6594 8.3834 123.1142 53.8823 34.8118 175.3300 52 E 3.9909 8.8568 124.1356 57.0011 29.8141 176.9392 53 W 4.6771 7.9955 118.8415 57.0867 30.5249 175.4633 54 R 3.4376 6.3369 122.4068 56.0792 29.3113 175.7234 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 4.29 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 4.28 0.00 2.19 2.05 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 8 D 9.16 4.79 0.00 2.92 2.91 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 0.00 0.00 0.00 9 F 8.90 4.03 0.00 3.20 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 10 H 8.23 4.42 0.00 3.40 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 8.21 4.30 0.00 2.70 2.67 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 12 K 7.66 3.76 0.00 0.79 0.74 0.00 1.27 0.00 0.00 1.35 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.17 1.45 7.81 13 Y 7.90 4.74 0.00 2.14 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 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 0.00 0.00 0.00 15 N 8.24 4.33 0.00 2.75 2.90 0.00 0.00 6.89 7.08 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 16 A 7.93 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.55 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 1.09 0.00 0.00 1.09 0.00 0.00 18 L 8.30 3.93 0.00 1.89 1.85 0.95 1.33 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 A 8.14 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 4.31 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 8.22 3.62 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 0.00 0.00 0.00 22 A 8.11 4.09 1.44 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 0.00 0.00 23 T 8.10 3.83 4.39 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 1.29 0.00 0.00 24 F 8.47 4.24 0.00 3.18 3.38 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 25 C 8.24 3.93 0.00 3.29 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 3.62 2.19 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 0.99 0.00 0.00 0.95 0.00 0.00 27 A 8.19 4.03 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 28 V 7.86 3.53 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.73 0.00 0.00 29 W 8.46 3.78 0.00 3.55 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 2.26 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 1.05 0.00 0.00 1.01 0.00 0.00 31 Y 8.25 4.03 0.00 3.05 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 M 7.94 3.82 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 33 A 8.34 4.63 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 4.59 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 7.95 4.40 0.00 0.97 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.97 0.00 0.00 0.00 0.00 0.00 2.11 2.32 0.00 36 I 7.54 4.18 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.52 0.64 0.00 0.00 37 G 8.11 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.55 3.62 1.59 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.37 -0.35 0.00 0.00 39 E 8.25 4.28 0.00 1.82 1.77 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 2.21 2.36 0.00 40 W 8.73 4.17 0.00 3.34 3.25 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 0.00 41 N 8.28 4.12 0.00 2.88 2.88 0.00 0.00 7.23 7.59 0.00 0.00 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 2.09 0.00 3.90 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 43 S 8.29 4.26 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 4.30 0.00 2.22 2.08 0.00 3.68 0.00 0.00 3.70 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 7.76 3.68 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 0.77 0.00 0.00 0.93 0.00 0.00 46 G 9.09 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 4.40 0.00 1.86 2.02 0.00 3.07 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 48 V 7.60 4.07 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 0.85 0.00 0.00 0.94 0.00 0.00 49 T 8.23 4.41 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 2.07 0.00 3.64 0.00 0.00 3.76 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 8.38 4.66 0.00 1.71 1.70 0.00 1.83 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 1.35 1.44 7.81 52 E 8.86 3.99 0.00 1.97 1.81 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 2.31 2.23 0.00 53 W 8.00 4.68 0.00 3.55 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 54 R 6.34 3.44 0.00 0.67 1.19 0.00 3.19 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.95 0.00