NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 H 4.7754 8.3033 117.8283 56.0081 30.7358 175.7190 10 T 3.6658 8.0330 118.1373 66.4820 68.1547 174.8009 11 I 3.6866 8.4713 122.2564 63.8895 37.3586 178.2764 12 I 3.7915 7.5995 120.8102 64.1511 37.2211 178.2432 13 S 4.0446 7.6778 114.9503 61.6681 63.0122 176.7273 14 V 3.3583 7.9521 122.4139 64.4805 31.0890 177.7969 15 A 3.8225 7.2448 120.2639 55.3216 18.1992 179.4527 16 L 3.9913 7.6005 117.3563 58.1659 41.6508 180.0159 17 I 3.8676 7.4685 119.3224 64.3363 36.8058 177.9206 18 Y 4.8578 8.1089 117.4819 61.6188 38.0816 178.2709 19 M 4.3008 8.2851 119.5837 58.1800 32.0351 178.9013 20 V 3.5721 7.5625 118.7218 66.1484 31.2100 177.8068 21 Q 3.7997 8.2508 119.1471 59.2093 28.6380 178.6466 22 V 3.7650 7.5707 120.3860 65.1547 31.5192 178.0729 23 Q 3.2376 7.8469 117.9617 59.0489 28.4260 178.5191 24 M 4.1004 7.8355 119.1588 57.9506 31.9209 178.8062 25 S 4.1509 7.4029 113.4296 61.0244 63.2194 176.6885 26 K 3.8999 7.8648 122.3995 58.7810 31.5605 179.2270 27 F 4.6313 7.6753 118.0896 60.2696 39.1609 177.6596 28 S 4.0896 7.7797 112.6870 61.1807 61.7072 176.1267 29 E 4.0510 7.7407 120.2514 58.7027 29.4427 178.2286 30 L 4.1102 7.3567 117.0301 58.2070 41.8848 179.7172 31 G 3.7041 8.2642 103.8456 46.4894 0.0000 175.3381 32 G 4.2013 7.5065 109.9301 43.2333 0.0000 173.2324 33 A 5.4118 6.8779 114.7521 51.1258 20.2501 176.4975 34 F 5.1929 8.2869 115.8306 58.3412 39.2967 176.7534 35 G 4.9472 7.4682 115.5146 45.5346 0.0000 173.3735 36 S 4.7353 7.4066 114.2889 56.5126 66.2445 174.1855 37 G 4.3593 8.5468 111.2653 45.1501 0.0000 174.8460 38 G 4.0253 8.6277 114.2120 46.6301 0.0000 172.1904 39 L 4.6440 8.7445 115.1503 54.5742 43.0351 176.3942 40 H 4.5878 7.8498 117.0624 56.1367 29.2225 176.0429 41 T 4.4047 7.8913 109.7457 60.3769 68.7672 172.9254 42 V 3.9144 7.7883 126.8198 61.4732 32.5014 174.3513 43 F 4.6303 7.4945 125.0125 56.4704 38.3382 176.6023 44 G 3.8445 7.9051 112.0124 47.1238 0.0000 176.1607 45 R 4.3804 8.3272 135.0000 53.8917 29.6180 178.0170 46 R 3.6228 8.8395 122.2511 57.0872 28.7308 175.8922 47 K 3.9354 7.8821 113.8291 56.3776 35.5945 173.1970 48 G 3.6784 8.5016 114.3725 45.4486 0.0000 173.5570 49 L 4.5070 8.0252 126.4449 54.2510 43.6657 173.6669 50 D 4.3183 8.0573 121.3645 53.7354 37.9309 173.2341 51 T 3.9139 7.8806 118.3231 63.2646 69.5047 175.2100 52 G 3.7505 8.7081 112.1342 47.2114 0.0000 174.4173 53 G 3.9779 7.8084 108.1879 45.4694 0.0000 175.2950 54 K 4.2015 7.9949 119.9256 57.9944 32.1296 178.9775 55 I 3.7764 7.6299 120.6028 64.2100 37.0552 178.2641 56 T 3.8063 7.8781 117.0000 66.4670 68.3720 176.0027 57 L 3.8522 7.8938 121.6796 58.7342 41.8947 179.1624 58 V 3.6486 8.1014 117.7796 65.8645 31.2023 177.8575 59 L 4.0701 7.5303 119.2138 58.3230 42.0477 178.1984 60 S 4.2150 8.1749 113.8565 60.6345 62.3289 176.0262 61 V 3.6192 7.9893 114.2265 64.7908 31.7046 178.6119 62 L 4.0998 7.9623 119.4264 58.1184 41.8348 178.9769 63 F 4.2315 8.7195 118.2078 60.6129 38.6579 177.4238 64 F 3.9427 8.4069 115.6877 59.8204 39.1984 177.9723 65 V 3.8518 7.8560 111.4811 63.8467 31.4370 178.7468 66 S 4.1354 7.8749 115.2488 61.5193 62.8756 175.6767 67 C 4.2924 7.6259 119.8948 61.1807 31.0351 175.3872 68 V 3.5529 7.3722 120.2062 66.5332 31.0373 177.9330 69 V 3.6361 7.6172 117.3369 66.3315 31.3200 178.2382 70 T 3.9091 7.6865 114.1695 66.2383 68.3039 176.5310 71 A 4.1482 7.8016 121.7038 55.6299 18.6408 177.5865 72 F 4.3984 7.8438 117.6841 59.8663 40.7381 175.8181 73 V 3.7758 7.7042 123.2114 63.1533 31.2320 176.1888 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 9 H 8.30 4.78 0.00 3.20 3.34 0.00 5.59 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.03 3.67 4.20 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 0.00 0.00 0.00 1.13 0.00 0.00 11 I 8.47 3.69 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.95 0.94 0.00 0.00 12 I 7.60 3.79 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.97 0.90 0.00 0.00 13 S 7.68 4.04 0.00 3.94 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 14 V 7.95 3.36 1.70 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 -0.09 0.00 0.00 0.74 0.00 0.00 15 A 7.24 3.82 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.60 3.99 0.00 1.72 1.75 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.47 3.87 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.07 1.16 0.00 0.00 18 Y 8.11 4.86 0.00 3.17 3.04 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 19 M 8.29 4.30 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.67 0.00 20 V 7.56 3.57 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.03 0.00 0.00 21 Q 8.25 3.80 0.00 1.73 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 22 V 7.57 3.76 2.23 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 1.30 0.00 0.00 1.09 0.00 0.00 23 Q 7.85 3.24 0.00 2.23 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 24 M 7.84 4.10 0.00 2.01 2.02 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 2.79 2.61 0.00 25 S 7.40 4.15 0.00 3.97 3.98 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 0.00 0.00 0.00 0.00 26 K 7.86 3.90 0.00 1.39 1.81 0.00 1.52 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.49 7.81 27 F 7.68 4.63 0.00 3.08 2.93 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 28 S 7.78 4.09 0.00 4.02 3.98 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 0.00 0.00 0.00 0.00 29 E 7.74 4.05 0.00 2.18 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 0.00 2.26 2.47 0.00 30 L 7.36 4.11 0.00 1.90 1.77 1.18 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.26 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 32 G 7.51 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 6.88 5.41 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.29 5.19 0.00 2.99 2.95 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 35 G 7.47 4.95 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 0.00 0.00 0.00 36 S 7.41 4.74 0.00 3.96 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 37 G 8.55 4.36 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 0.00 0.00 0.00 38 G 8.63 4.03 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 0.00 0.00 0.00 39 L 8.74 4.64 0.00 1.63 1.68 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 40 H 7.85 4.59 0.00 3.21 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.89 4.40 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 1.24 0.00 0.00 42 V 7.79 3.91 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 0.78 0.00 0.00 0.80 0.00 0.00 43 F 7.49 4.63 0.00 3.13 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 44 G 7.91 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.33 4.38 0.00 1.92 1.76 0.00 3.51 0.00 0.00 3.44 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.63 0.00 46 R 8.84 3.62 0.00 2.02 2.06 0.00 3.25 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 47 K 7.88 3.94 0.00 1.71 1.83 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.32 7.81 48 G 8.50 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.03 4.51 0.00 1.61 1.57 0.93 1.13 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 50 D 8.06 4.32 0.00 2.82 2.70 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 51 T 7.88 3.91 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 1.24 0.00 0.00 52 G 8.71 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 53 G 7.81 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.99 4.20 0.00 1.95 1.85 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.60 7.81 55 I 7.63 3.78 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.13 0.91 0.00 0.00 56 T 7.88 3.81 4.35 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 0.00 0.00 0.00 1.18 0.00 0.00 57 L 7.89 3.85 0.00 1.68 1.87 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.10 3.65 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 0.96 0.00 0.00 1.01 0.00 0.00 59 L 7.53 4.07 0.00 1.87 1.72 0.99 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.17 4.21 0.00 3.85 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.99 3.62 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 0.83 0.00 0.00 1.03 0.00 0.00 62 L 7.96 4.10 0.00 2.05 1.84 0.97 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.72 4.23 0.00 3.43 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 64 F 8.41 3.94 0.00 2.93 3.11 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 0.00 0.00 0.00 65 V 7.86 3.85 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 1.14 0.00 0.00 1.04 0.00 0.00 66 S 7.87 4.14 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 67 C 7.63 4.29 0.00 2.32 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.37 3.55 2.28 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 0.94 0.00 0.00 0.96 0.00 0.00 69 V 7.62 3.64 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 1.06 0.00 0.00 0.94 0.00 0.00 70 T 7.69 3.91 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 1.20 0.00 0.00 71 A 7.80 4.15 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 7.84 4.40 0.00 2.82 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 73 V 7.70 3.78 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 0.78 0.00 0.00 1.03 0.00 0.00