NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.8889 8.3393 109.7345 44.5838 0.0000 173.6849 6 K 3.9014 7.8722 119.1764 56.4387 33.1228 172.9958 7 E 4.7377 9.2409 118.7248 54.9586 33.8728 175.8683 8 L 5.2908 9.2984 124.8783 53.0041 45.1025 176.3504 9 V 5.0265 8.7224 114.1554 59.6388 36.5098 174.0573 10 L 5.0583 8.9280 125.1897 53.3843 44.1024 175.3188 11 A 4.6103 8.9640 129.1742 52.1305 18.6807 178.0308 12 L 3.8942 9.0580 123.8732 56.8227 42.4180 176.8245 13 Y 4.8531 7.5660 113.8707 55.8674 42.1538 174.8909 14 D 4.8329 8.7967 121.0071 55.2249 42.0259 175.6109 15 Y 4.7616 9.0176 122.5481 56.5058 42.5903 173.1126 16 Q 4.6904 7.9934 128.4129 54.0409 30.4064 174.8578 17 E 4.3194 8.7888 125.3177 56.7970 30.0255 177.0457 18 K 4.6173 9.3618 120.2963 55.8451 33.8831 175.7510 19 S 4.6457 7.6434 112.4109 56.2711 65.1607 173.1531 20 P 4.2703 0.0000 0.0000 65.3656 31.2781 177.0757 21 D 4.7183 7.8750 114.5377 53.4703 39.7493 175.7435 22 E 5.4081 7.9892 120.2952 55.5743 31.5384 175.3675 23 V 4.8171 8.4108 118.8701 60.6493 34.7441 175.0471 24 T 5.0132 8.6792 118.5437 62.9433 69.9511 173.9917 25 M 5.0344 9.2812 121.8388 53.6661 35.4992 173.9246 26 K 5.0889 9.2298 119.2804 54.0389 35.2063 175.9902 27 K 3.9646 9.1585 125.2133 58.6213 32.4006 176.9967 28 G 4.0098 8.9167 114.7301 45.1703 0.0000 173.5964 29 D 4.5479 8.0899 119.8781 54.6056 42.2446 175.6343 30 I 4.7776 8.3066 122.3368 59.9828 38.6215 174.9795 31 L 4.9377 8.9603 127.8504 53.2202 44.8239 175.9060 32 T 4.6313 8.4606 118.8772 62.7842 70.0033 173.6985 33 L 4.4543 8.7076 129.7375 54.7794 42.1799 175.9430 34 L 4.4440 8.8943 126.8115 56.3329 43.4635 177.0515 35 N 4.7342 7.7273 117.6614 52.1908 42.1697 174.9464 36 S 4.2533 8.2363 121.5382 57.8805 63.4212 175.4010 37 T 4.0017 8.3561 113.9274 64.6343 68.8646 174.1203 38 N 4.8432 8.1211 120.5811 52.3048 39.9019 174.8601 39 K 4.4001 8.7323 123.4946 58.7865 33.5756 177.1156 40 D 4.4741 8.1185 118.7437 54.5032 43.2564 176.3554 41 W 5.1937 8.1072 116.9821 54.5827 32.5590 174.8647 42 W 5.4311 9.2806 124.6976 54.8785 31.7391 174.8772 43 K 4.3519 9.1105 126.1177 55.9097 32.9103 176.0315 44 V 5.0020 8.9921 119.8496 59.6471 36.9479 173.7139 45 E 4.8979 9.2026 123.0664 54.6747 32.3276 174.9703 46 V 4.7676 8.6469 127.4266 61.3076 32.2609 177.4114 47 N 4.0922 8.6912 127.2102 54.4403 37.3544 174.8570 48 D 4.8600 9.1999 123.6583 54.9081 41.2069 175.5844 49 R 4.8422 7.9399 118.3514 54.5019 33.8052 174.6510 50 Q 5.0384 9.1734 119.8044 53.7906 32.8699 175.0801 51 G 3.8982 7.8967 107.5553 46.6480 0.0000 171.2207 52 F 5.4083 8.5032 118.6832 56.9461 40.7092 176.0210 53 V 4.9393 9.0224 114.5206 58.6903 36.7234 173.3358 54 P 3.2026 0.0000 0.0000 61.7218 31.7949 177.7062 55 A 2.8878 7.8762 126.5138 54.8068 18.1817 179.5867 56 A 3.8668 7.0826 116.7148 54.6592 18.7461 177.4971 57 Y 4.9605 7.5140 112.8440 58.1015 38.2319 175.3697 58 V 4.9762 7.3774 112.2103 59.2922 35.7468 174.6741 59 K 4.6896 8.7275 122.1510 54.2925 35.0939 175.6647 60 K 4.5811 9.1470 126.9720 57.2505 32.1122 176.7615 61 L 4.6483 8.6335 123.6683 55.1986 43.1590 176.5305 62 D 4.1867 7.8260 122.8110 53.8439 38.7833 175.1558 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 G 8.34 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 0.00 0.00 0.00 6 K 7.87 3.90 0.00 1.95 1.84 0.00 1.52 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.51 7.81 7 E 9.24 4.74 0.00 1.83 1.79 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 2.23 2.26 0.00 8 L 9.30 5.29 0.00 1.69 1.55 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.72 5.03 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 0.88 0.00 0.00 1.11 0.00 0.00 10 L 8.93 5.06 0.00 1.73 1.53 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.96 4.61 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 12 L 9.06 3.89 0.00 1.34 1.08 0.91 0.66 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 13 Y 7.57 4.85 0.00 2.58 2.61 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 14 D 8.80 4.83 0.00 2.62 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.02 4.76 0.00 3.35 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 16 Q 7.99 4.69 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.67 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 17 E 8.79 4.32 0.00 2.10 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 2.32 2.33 0.00 18 K 9.36 4.62 0.00 1.79 1.83 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.45 7.81 19 S 7.64 4.65 0.00 3.75 3.72 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 20 P 0.00 4.27 0.00 2.09 2.12 0.00 3.70 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 2.03 2.09 0.00 21 D 7.88 4.72 0.00 3.11 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 22 E 7.99 5.41 0.00 2.17 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 0.00 2.58 2.27 0.00 23 V 8.41 4.82 2.15 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 0.83 0.00 0.00 0.99 0.00 0.00 24 T 8.68 5.01 4.29 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 1.29 0.00 0.00 25 M 9.28 5.03 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.75 0.00 26 K 9.23 5.09 0.00 1.97 1.75 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.51 7.81 27 K 9.16 3.96 0.00 1.65 1.74 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.32 7.81 28 G 8.92 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 0.00 0.00 0.00 29 D 8.09 4.55 0.00 2.73 2.64 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 30 I 8.31 4.78 1.88 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 1.35 0.85 0.92 0.00 0.00 31 L 8.96 4.94 0.00 1.61 1.72 1.01 0.51 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 32 T 8.46 4.63 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 1.19 0.00 0.00 33 L 8.71 4.45 0.00 1.60 1.59 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.89 4.44 0.00 1.56 1.62 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.73 4.73 0.00 2.70 2.63 0.00 0.00 6.71 7.63 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 36 S 8.24 4.25 0.00 2.72 2.63 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 0.00 0.00 0.00 0.00 37 T 8.36 4.00 4.27 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 1.23 0.00 0.00 38 N 8.12 4.84 0.00 2.83 3.26 0.00 0.00 7.02 6.68 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 39 K 8.73 4.40 0.00 1.95 2.00 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.46 7.81 40 D 8.12 4.47 0.00 2.70 2.47 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 41 W 8.11 5.19 0.00 3.03 3.15 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 0.00 0.00 0.00 0.00 42 W 9.28 5.43 0.00 3.24 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 43 K 9.11 4.35 0.00 1.18 1.45 0.00 1.18 0.00 0.00 1.44 0.00 0.00 2.67 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.08 0.49 7.81 44 V 8.99 5.00 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 0.77 0.00 0.00 1.05 0.00 0.00 45 E 9.20 4.90 0.00 1.97 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 46 V 8.65 4.77 2.13 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 1.03 0.00 0.00 1.04 0.00 0.00 47 N 8.69 4.09 0.00 2.93 2.09 0.00 0.00 7.17 8.06 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 48 D 9.20 4.86 0.00 2.66 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 49 R 7.94 4.84 0.00 1.77 1.79 0.00 3.08 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 50 Q 9.17 5.04 0.00 1.84 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.08 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 51 G 7.90 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 52 F 8.50 5.41 0.00 3.06 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 53 V 9.02 4.94 1.96 0.00 0.00 0.00 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 0.99 0.00 0.00 54 P 0.00 3.20 0.00 0.49 0.49 0.00 2.63 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.44 0.00 55 A 7.88 2.89 -0.02 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 0.00 0.00 56 A 7.08 3.87 1.14 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 57 Y 7.51 4.96 0.00 2.95 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 58 V 7.38 4.98 2.20 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 0.75 0.00 0.00 1.08 0.00 0.00 59 K 8.73 4.69 0.00 1.79 1.62 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.42 7.81 60 K 9.15 4.58 0.00 1.78 1.79 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.44 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.76 7.81 61 L 8.63 4.65 0.00 1.54 1.72 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.83 4.19 0.00 2.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00