NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 L 4.3468 8.1693 120.6391 54.7932 43.7979 177.2319 14 S 4.1549 7.8001 112.3213 57.1941 63.2022 173.3672 15 P 4.5280 0.0000 0.0000 62.5143 31.1100 179.8498 16 Q 3.8687 8.8029 119.0510 58.0514 29.1478 177.1192 17 Y 4.7053 7.2956 116.9194 55.7632 38.6103 174.7693 18 N 5.0488 7.7614 121.7229 50.8912 40.6841 176.0621 19 W 4.5066 8.2378 114.0024 59.4831 28.4751 178.3246 20 V 3.2385 6.7240 118.6342 65.6068 31.0407 177.4554 21 A 3.9008 8.4710 120.7018 55.6244 18.2483 179.0152 22 C 4.5811 7.9322 113.5238 59.8725 38.3984 176.8468 23 G 3.6110 8.1585 107.4755 47.9323 0.0000 175.5908 24 I 3.6907 8.1296 123.6196 64.0511 37.1358 177.9725 25 L 3.9214 8.4955 121.0329 58.1916 41.9926 178.3348 26 E 4.0290 8.9343 119.6304 59.7648 29.5327 178.6364 27 G 3.7976 8.9203 105.7524 47.9573 0.0000 175.3628 28 G 4.0315 8.6232 108.3506 47.4603 0.0000 175.3829 29 L 4.1140 8.1719 120.7565 57.4450 41.6011 179.5884 30 K 4.0618 8.2900 118.3012 59.0770 31.7075 178.9228 31 A 4.0197 8.2885 120.8381 55.3783 18.4817 179.2224 32 A 4.1457 8.0109 117.2586 52.0910 19.9156 176.8058 33 G 3.7659 7.6383 105.8222 46.1813 0.0000 174.1154 34 V 4.4068 8.0965 108.4327 60.6834 34.8049 176.6071 35 L 4.3979 7.7295 120.2913 54.1320 42.7842 174.8544 36 E 4.7004 8.1105 121.7550 54.7870 32.4906 174.6000 37 E 4.0231 8.6654 122.4313 57.3103 30.4504 177.1418 38 G 3.8610 8.2884 109.1948 46.5883 0.0000 172.7953 39 Q 4.4951 7.3987 117.9211 54.3226 31.5290 173.3891 40 Y 4.8378 8.3657 121.0515 56.5645 40.1451 176.4088 41 N 4.1150 9.2286 123.3077 57.1416 39.2578 177.2540 42 R 3.9332 8.5632 119.9408 59.4333 30.0097 178.2896 43 E 4.0246 8.4006 118.5391 59.1321 29.4302 179.1608 44 L 3.9108 7.9136 119.6266 58.1548 42.3483 178.2750 45 A 4.1423 7.8360 120.6920 55.7957 18.2685 179.5876 46 E 3.9385 8.2110 115.9083 59.1545 29.4822 179.4411 47 A 4.0690 7.7250 121.2395 54.9867 18.4488 179.6998 48 I 3.6689 8.4398 118.4995 64.4318 37.1636 178.5446 49 A 4.0029 8.2897 121.5323 54.9396 17.9653 179.2089 50 A 3.9568 7.7092 118.2378 55.6126 18.6465 179.7981 51 K 4.2749 7.9783 114.1314 58.0849 32.2087 179.0942 52 G 4.0326 7.8375 107.7212 44.8719 0.0000 174.4419 53 E 4.3844 7.8893 119.7760 55.9775 31.1175 176.2196 54 G 3.9117 8.8061 114.5610 43.4602 0.0000 172.7048 55 F 3.7562 9.2258 120.3817 61.8682 39.2046 178.1145 56 W 4.6508 8.4302 117.7816 59.9346 28.7763 178.6906 57 T 4.1489 8.1114 108.7492 65.2819 68.6938 176.6425 58 T 3.9346 7.8905 111.6906 63.7708 68.7131 175.5669 59 Q 4.0821 7.9387 119.5971 55.2596 29.3764 175.5199 60 F 4.7515 7.9176 118.5032 54.4019 41.6697 173.6056 61 P 4.3290 0.0000 0.0000 66.0122 31.2163 178.4430 62 Q 4.1164 8.2342 117.5665 58.9823 28.9546 177.9603 63 I 4.1262 8.0097 120.6867 63.9052 37.0897 177.9582 64 G 3.8726 8.7313 107.1542 48.0092 0.0000 175.2389 65 D 4.3638 8.4148 119.9185 57.0616 41.3215 177.7483 66 W 4.2750 8.1011 128.4969 61.2912 30.0433 176.5786 67 N 4.2748 8.9432 116.4016 57.1331 38.2249 176.1164 68 E 3.9577 8.3028 118.7605 59.7660 29.8131 179.4942 69 D 4.2478 8.3935 118.8810 57.6690 40.9015 178.9960 70 Q 3.7083 7.8410 118.4788 58.5393 28.4346 178.4694 71 A 3.9102 8.4736 122.0706 55.1169 18.2560 179.6206 72 A 3.8958 8.1189 119.0116 55.2992 18.4889 179.8149 73 A 3.9222 8.0072 119.3454 54.9988 18.3903 179.6342 74 L 3.8892 8.3205 119.2914 58.2326 42.0794 179.1007 75 A 4.0224 7.8274 120.8998 54.9069 18.2117 179.4473 76 D 4.2360 7.7582 117.7851 57.6881 40.8345 178.8463 77 R 3.9794 7.9786 118.3172 59.5807 30.2226 178.9639 78 A 4.0099 8.1292 120.2523 55.0774 18.2142 179.5475 79 Q 3.8868 8.2249 118.4064 59.6794 28.9544 178.4823 80 T 3.6990 7.5702 115.6398 66.4042 68.4214 175.0865 81 C 4.6426 7.7305 116.0836 56.7141 40.4367 174.6586 82 G 3.8435 8.1036 109.1013 45.6189 0.0000 175.0354 83 L 4.1328 7.7266 119.7687 56.9916 41.8275 177.6474 84 V 4.6489 7.2423 108.9694 59.2043 35.7263 175.7388 85 K 4.3421 8.9776 122.3972 55.5512 33.3838 176.6714 86 A 4.4826 8.5538 125.2807 51.9093 19.1923 177.2917 87 D 4.4440 8.7853 121.1212 54.6646 41.6509 176.9073 88 T 4.1646 7.8432 112.2944 61.8733 68.9564 173.5973 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 13 L 8.17 4.35 0.00 1.68 1.83 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.80 4.15 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 1.97 2.02 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 16 Q 8.80 3.87 0.00 1.50 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.58 7.11 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 17 Y 7.30 4.71 0.00 2.92 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 7.76 5.05 0.00 2.70 2.89 0.00 0.00 5.87 8.88 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 19 W 8.24 4.51 0.00 3.67 3.39 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 20 V 6.72 3.24 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 -0.59 0.00 0.00 21 A 8.47 3.90 1.28 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 0.00 0.00 22 C 7.93 4.58 0.00 3.31 3.23 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 0.00 23 G 8.16 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 24 I 8.13 3.69 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.80 0.90 0.00 0.00 25 L 8.50 3.92 0.00 1.80 1.79 0.94 0.87 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 26 E 8.93 4.03 0.00 2.16 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 0.00 2.33 2.36 0.00 27 G 8.92 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.62 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 29 L 8.17 4.11 0.00 1.87 1.73 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.29 4.06 0.00 1.96 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.64 7.81 31 A 8.29 4.02 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 32 A 8.01 4.15 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.64 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.10 4.41 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 0.74 0.00 0.00 0.98 0.00 0.00 35 L 7.73 4.40 0.00 1.59 1.56 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.11 4.70 0.00 1.92 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 2.33 0.00 37 E 8.67 4.02 0.00 1.99 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 2.30 2.24 0.00 38 G 8.29 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 39 Q 7.40 4.50 0.00 2.13 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 40 Y 8.37 4.84 0.00 3.08 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 41 N 9.23 4.11 0.00 2.75 3.04 0.00 0.00 6.82 7.22 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 42 R 8.56 3.93 0.00 2.32 1.93 0.00 3.14 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 43 E 8.40 4.02 0.00 2.34 2.04 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 2.38 2.42 0.00 44 L 7.91 3.91 0.00 1.77 1.84 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.84 4.14 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 46 E 8.21 3.94 0.00 2.25 2.02 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 2.33 2.54 0.00 47 A 7.73 4.07 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 48 I 8.44 3.67 1.99 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 1.46 1.34 0.91 0.00 0.00 49 A 8.29 4.00 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 50 A 7.71 3.96 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 51 K 7.98 4.27 0.00 1.81 1.92 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.71 1.62 7.81 52 G 7.84 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 53 E 7.89 4.38 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.30 0.00 54 G 8.81 3.91 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 0.00 0.00 0.00 55 F 9.23 3.76 0.00 3.02 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 W 8.43 4.65 0.00 3.62 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 57 T 8.11 4.15 4.37 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 1.42 0.00 0.00 58 T 7.89 3.93 4.14 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 1.24 0.00 0.00 59 Q 7.94 4.08 0.00 1.54 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 1.30 1.16 0.00 60 F 7.92 4.75 0.00 3.34 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 61 P 0.00 4.33 0.00 2.22 2.16 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 62 Q 8.23 4.12 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 63 I 8.01 4.13 2.22 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.44 1.05 0.00 0.00 64 G 8.73 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 0.00 0.00 0.00 65 D 8.41 4.36 0.00 2.89 2.97 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 0.00 0.00 0.00 66 W 8.10 4.28 0.00 3.48 3.42 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 67 N 8.94 4.27 0.00 3.22 3.08 0.00 0.00 7.22 8.37 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 68 E 8.30 3.96 0.00 2.21 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 0.00 2.35 2.41 0.00 69 D 8.39 4.25 0.00 2.72 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 7.84 3.71 0.00 1.33 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 71 A 8.47 3.91 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 72 A 8.12 3.90 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 73 A 8.01 3.92 1.29 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 0.00 0.00 0.00 74 L 8.32 3.89 0.00 1.80 1.80 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.83 4.02 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.76 4.24 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.98 3.98 0.00 2.09 2.09 0.00 3.17 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.86 0.00 78 A 8.13 4.01 1.36 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 79 Q 8.22 3.89 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 80 T 7.57 3.70 3.88 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 0.32 0.00 0.00 81 C 7.73 4.64 0.00 3.09 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 82 G 8.10 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 83 L 7.73 4.13 0.00 1.92 1.74 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.24 4.65 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 0.70 0.00 0.00 0.92 0.00 0.00 85 K 8.98 4.34 0.00 1.00 1.58 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.13 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 1.14 7.81 86 A 8.55 4.48 1.26 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 0.00 0.00 0.00 87 D 8.79 4.44 0.00 2.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.84 4.16 4.22 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 1.32 0.00 0.00