NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.7106 8.3027 117.8314 55.8375 31.0653 174.7078 6 S 3.9264 8.3191 112.8386 60.1247 62.1843 173.4964 7 L 4.4353 7.8514 121.7834 56.5280 43.4226 177.2471 8 Q 3.9046 7.8862 118.9846 59.3930 28.9393 178.1592 9 D 4.3506 8.3476 119.8801 56.9869 40.8895 176.8083 10 P 4.2786 0.0000 0.0000 65.8533 31.4923 177.7121 11 Y 4.0172 8.1050 117.9889 60.9760 38.6960 178.3386 12 L 3.8208 8.0224 119.6451 57.6861 41.6303 179.0965 13 N 4.5424 8.6766 117.4528 57.0235 38.8904 177.0833 14 T 3.8741 8.1357 117.4087 66.6379 68.5621 176.6971 15 L 3.9217 7.6555 120.5715 57.5205 41.4829 179.4526 16 R 4.0697 8.0427 120.2279 58.7108 29.9358 178.1049 17 K 3.7568 8.3515 119.3057 59.6154 32.1514 177.2141 18 E 4.3201 8.2083 114.5569 55.5982 29.4076 176.2635 19 R 3.8316 8.0628 116.4519 56.7999 28.4302 176.3326 20 V 3.7247 7.3579 117.0653 62.4569 32.1969 174.0157 21 P 4.6357 0.0000 0.0000 62.8036 32.2775 175.8284 22 V 4.9252 8.8366 117.2901 59.4935 36.1024 174.3468 23 S 5.6229 9.0530 116.7457 56.1393 64.7442 172.8119 24 I 4.7897 9.0364 129.3355 59.8860 38.6399 174.3619 25 Y 4.6811 9.2050 126.5131 57.6081 39.0944 175.9311 26 L 4.9727 9.4490 125.2761 53.6209 43.4080 178.4943 27 V 3.6592 8.6540 114.4558 64.0625 31.4899 177.4092 28 N 4.5858 8.0105 115.1243 52.3619 37.9233 174.8592 29 G 4.1370 8.0315 109.6407 46.0465 0.0000 174.9617 30 I 4.1038 8.4169 113.9904 60.4954 38.9312 175.4109 31 K 4.8277 8.3417 123.1821 55.1329 34.6879 175.2508 32 L 4.6835 9.1834 124.1112 53.4985 44.3568 175.3913 33 Q 4.9124 8.6745 119.7145 53.7250 32.3675 175.8305 34 G 4.2462 7.2477 108.8401 46.2585 0.0000 170.8037 35 Q 4.7957 7.9880 119.3852 53.7836 32.1799 175.2203 36 I 3.9640 8.3969 124.1512 61.9279 37.3604 176.3038 37 E 4.0194 9.3091 129.9933 58.8500 30.1977 176.1078 38 S 4.7303 7.6404 111.6341 58.0750 66.0993 173.1803 39 F 5.1392 7.7841 113.8824 56.0907 39.8472 173.3583 40 D 5.1847 8.3126 123.3718 52.0693 41.3613 175.3926 41 Q 4.0395 8.8137 118.0136 58.8181 29.3247 177.6570 42 F 5.0779 9.5531 115.3742 57.2195 42.2532 175.4883 43 V 5.0053 8.1053 110.2980 59.5187 36.5050 174.3019 44 I 4.9843 8.9272 122.5811 59.6270 40.7349 174.8644 45 L 4.7538 9.0960 127.5953 53.7145 43.0107 175.4819 46 L 4.8553 8.9181 128.2584 53.5152 43.5925 174.9712 47 K 4.4098 9.2669 129.1530 55.5766 33.2993 174.8839 48 N 4.9399 8.8088 125.0819 53.7939 41.7830 174.5490 49 T 4.6414 7.6901 109.5951 61.0703 71.1901 174.2755 50 V 4.4228 7.2107 120.1806 59.9953 34.1168 172.9469 51 S 4.7527 8.6057 117.3005 58.2600 62.8461 172.9587 52 Q 4.6970 8.9021 125.8243 54.6366 31.1668 174.1414 53 M 4.7221 8.5731 122.2054 54.4871 33.5583 174.9190 54 V 4.4209 8.9248 126.9945 61.1748 34.1863 174.3885 55 Y 4.5610 8.6774 125.9708 57.4189 38.6826 176.7615 56 K 3.9722 9.2557 125.1767 59.4257 32.3941 179.1669 57 A 4.0781 8.3258 120.1508 54.3665 18.5210 177.5871 58 A 4.5764 8.2655 117.6899 51.9907 19.5144 176.1829 59 I 4.7654 7.5495 118.3226 60.1550 38.7349 175.7806 60 S 4.5438 8.9450 120.4373 60.7406 64.0554 174.4242 61 T 4.6377 7.7262 113.2806 60.2391 70.9060 172.2081 62 V 4.8039 8.4200 126.6936 61.2536 33.7320 174.8224 63 V 4.4401 9.4122 129.8690 60.4541 33.4360 173.0837 64 P 4.7383 0.0000 0.0000 62.3650 31.4984 177.0766 65 S 4.4572 8.9364 118.9860 60.7098 63.3495 174.7366 66 R 4.7283 7.6993 113.9573 52.7165 32.3452 172.9802 67 P 4.2835 0.0000 0.0000 63.2392 31.8488 176.0241 68 V 4.3916 8.1514 120.7038 60.8197 34.1583 174.7647 69 R 4.4740 8.4270 122.9060 54.7207 31.0372 176.0208 70 L 4.2600 8.4153 121.7367 55.1949 42.1488 175.7959 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 5 H 8.30 4.71 0.00 3.21 3.64 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.32 3.93 0.00 3.95 3.92 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 7 L 7.85 4.44 0.00 1.74 1.56 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.89 3.90 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 9 D 8.35 4.35 0.00 2.89 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.21 2.15 0.00 3.77 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 2.35 2.20 0.00 11 Y 8.11 4.02 0.00 3.16 3.06 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 0.00 0.00 0.00 12 L 8.02 3.82 0.00 0.87 0.87 0.40 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.68 4.54 0.00 3.15 3.01 0.00 0.00 7.22 7.15 0.00 0.00 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 T 8.14 3.87 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 1.12 0.00 0.00 15 L 7.66 3.92 0.00 1.74 1.61 0.70 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.04 4.07 0.00 2.11 2.18 0.00 3.27 0.00 0.00 3.31 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 17 K 8.35 3.76 0.00 1.73 1.96 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.44 7.81 18 E 8.21 4.32 0.00 2.19 1.93 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 2.29 2.25 0.00 19 R 8.06 3.83 0.00 1.91 1.98 0.00 3.16 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 20 V 7.36 3.72 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 0.70 0.00 0.00 0.88 0.00 0.00 21 P 0.00 4.64 0.00 2.11 1.96 0.00 3.57 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 22 V 8.84 4.93 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 1.00 0.00 0.00 1.00 0.00 0.00 23 S 9.05 5.62 0.00 3.87 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 24 I 9.04 4.79 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.89 0.96 0.00 0.00 25 Y 9.20 4.68 0.00 2.90 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 26 L 9.45 4.97 0.00 1.63 1.62 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.65 3.66 2.10 0.00 0.00 0.00 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 0.96 0.00 0.00 28 N 8.01 4.59 0.00 2.82 2.95 0.00 0.00 6.20 7.00 0.00 0.00 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 G 8.03 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 0.00 0.00 0.00 0.00 30 I 8.42 4.10 1.85 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 1.52 0.79 0.98 0.00 0.00 31 K 8.34 4.83 0.00 0.80 0.74 0.00 0.98 0.00 0.00 0.67 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.92 1.10 7.81 32 L 9.18 4.68 0.00 1.52 1.58 0.93 0.74 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 33 Q 8.67 4.91 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 34 G 7.25 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 0.00 0.00 0.00 0.00 35 Q 7.99 4.80 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 36 I 8.40 3.96 1.89 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 1.24 0.95 1.01 0.00 0.00 37 E 9.31 4.02 0.00 1.95 2.14 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 2.32 2.30 0.00 38 S 7.64 4.73 0.00 3.87 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.78 5.14 0.00 3.22 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 40 D 8.31 5.18 0.00 2.78 2.68 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 41 Q 8.81 4.04 0.00 1.88 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.89 0.00 0.00 0.00 0.00 0.00 1.37 2.19 0.00 42 F 9.55 5.08 0.00 3.04 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 43 V 8.11 5.01 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 0.33 0.00 0.00 1.00 0.00 0.00 44 I 8.93 4.98 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.99 1.00 0.00 0.00 45 L 9.10 4.75 0.00 1.72 1.62 0.91 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.92 4.86 0.00 1.75 1.55 0.92 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.27 4.41 0.00 1.84 1.65 0.00 2.09 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.37 7.81 48 N 8.81 4.94 0.00 2.76 2.61 0.00 0.00 7.00 7.58 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 49 T 7.69 4.64 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 1.21 0.00 0.00 50 V 7.21 4.42 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 51 S 8.61 4.75 0.00 3.91 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 52 Q 8.90 4.70 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.63 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 53 M 8.57 4.72 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.22 0.00 54 V 8.92 4.42 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.95 0.00 0.00 55 Y 8.68 4.56 0.00 3.11 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 56 K 9.26 3.97 0.00 1.99 1.92 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.45 7.81 57 A 8.33 4.08 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 58 A 8.27 4.58 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 59 I 7.55 4.77 2.01 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 1.41 0.88 1.01 0.00 0.00 60 S 8.95 4.54 0.00 3.86 4.01 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 0.00 0.00 0.00 61 T 7.73 4.64 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 0.95 0.00 0.00 62 V 8.42 4.80 2.21 0.00 0.00 0.00 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 0.98 0.00 0.00 63 V 9.41 4.44 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.99 0.00 0.00 64 P 0.00 4.74 0.00 2.14 1.92 0.00 3.83 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 65 S 8.94 4.46 0.00 3.88 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 66 R 7.70 4.73 0.00 1.86 1.89 0.00 3.09 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 67 P 0.00 4.28 0.00 2.06 2.06 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 68 V 8.15 4.39 1.97 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 0.70 0.00 0.00 0.82 0.00 0.00 69 R 8.43 4.47 0.00 1.93 1.91 0.00 3.09 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 70 L 8.42 4.26 0.00 1.65 1.60 1.01 0.95 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