NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4978 8.1933 116.7447 58.3382 66.3937 175.7072 4 L 4.7941 6.2583 127.4258 53.5340 45.3549 173.6295 5 T 4.8564 9.2463 118.5924 61.8000 72.4807 173.0233 6 F 5.8828 8.6751 123.8653 55.1957 41.4833 174.5350 7 K 5.0773 8.6853 123.6539 54.9712 34.3101 176.7493 8 N 3.9605 8.5471 122.8641 52.1778 40.2598 175.2695 9 F 4.6013 8.3811 118.7434 60.6877 38.7745 177.9269 10 K 4.2675 8.1875 117.2139 57.0530 32.7012 178.0579 11 K 3.5432 9.1343 120.4024 56.4457 31.3819 174.1842 12 E 4.4684 8.6487 118.8499 56.6465 29.1307 174.0764 13 K 5.1732 8.4726 125.1418 54.8702 34.7637 176.8856 14 V 4.3905 8.6945 122.8689 60.5006 34.0565 172.0935 15 P 5.0079 0.0000 0.0000 62.6661 32.2028 175.6156 16 L 4.7829 8.8524 124.2890 52.7756 44.7184 174.9737 17 D 4.9685 8.6734 122.9647 53.0095 41.9409 175.5112 18 L 4.8721 8.3819 125.5019 52.5923 45.6178 176.2281 19 E 4.2763 8.6173 120.0356 55.3659 31.1209 174.9221 20 P 4.7443 0.0000 0.0000 60.4041 30.2824 173.6803 21 S 4.5919 7.4919 119.4431 59.6368 69.0535 175.8736 22 N 4.7456 7.6490 116.7228 52.2729 37.7706 174.6773 23 T 4.5887 8.3131 110.8142 61.4337 71.3458 175.7424 24 I 3.8547 8.4777 122.0649 63.8597 36.9361 178.6266 25 L 3.9344 7.7989 121.3797 58.1534 41.7870 178.8040 26 E 3.9469 8.3505 118.7084 59.4355 29.3309 179.5211 27 T 3.7990 7.9001 115.8266 66.4818 68.3334 176.5987 28 K 3.6917 8.0316 120.3719 60.0831 32.2519 179.3745 29 T 3.5837 7.9839 115.6504 66.6232 68.2769 176.8381 30 K 3.8924 7.7751 120.1555 59.1507 31.9044 179.1964 31 L 3.5660 7.8910 119.5258 57.8433 42.3095 178.3068 32 A 4.0270 8.7492 121.7979 55.3028 18.0513 179.2534 33 Q 3.8617 7.5918 116.3892 59.3826 29.2389 178.1407 34 S 4.2871 7.7195 110.3491 59.1901 62.7350 173.5897 35 I 4.6648 7.8133 122.8520 61.7519 37.1186 176.6262 36 S 4.6165 8.6182 120.3672 58.7712 62.2122 172.3138 37 C 4.9505 7.9213 111.7051 55.6844 33.0167 172.6254 38 E 4.4219 8.3196 118.6642 55.0355 30.2384 178.0052 39 E 4.0038 8.6996 119.7712 59.2795 29.7465 179.4743 40 S 4.1775 7.9960 113.1877 60.8667 62.8935 174.8992 41 Q 4.2338 8.0907 118.6319 56.5165 28.9656 174.7776 42 I 4.8935 7.3757 119.6860 59.9524 38.2385 175.3917 43 K 4.7738 9.2961 126.8172 54.5969 35.2477 175.2483 44 L 5.3986 8.4301 121.8431 53.1285 45.2825 175.5142 45 I 5.0697 9.2701 123.4822 59.8099 41.0688 173.6774 46 Y 4.8538 8.9088 128.2747 56.4979 41.7406 175.4580 47 S 3.3998 9.0257 120.1864 59.2552 60.4776 171.8890 48 G 3.9042 9.5182 104.6036 45.3249 0.0000 172.0465 49 K 4.5079 7.6583 116.1473 55.1490 35.4673 174.7919 50 V 4.3537 8.1673 121.0413 62.8166 32.1318 175.7180 51 L 4.4903 8.8806 127.9973 54.6697 42.9295 176.1511 52 Q 4.6506 8.3735 119.6422 54.0638 31.4730 176.4852 53 D 4.5138 9.0208 123.3102 57.8325 41.2181 179.5078 54 S 4.2674 7.9719 113.6138 60.7133 63.5234 175.1537 55 K 4.3397 8.0329 120.3247 56.3576 32.4666 176.6080 56 T 4.6532 8.7131 113.3447 60.6825 69.5651 176.2401 57 V 3.6031 8.3636 123.1684 64.9743 31.8750 178.6538 58 S 4.0866 8.2465 114.7995 61.3264 62.3200 175.8673 59 E 4.1377 8.1009 118.0116 59.0056 29.2368 178.0003 60 C 4.2778 7.7663 115.7957 60.4589 28.4248 174.1575 61 G 3.8699 8.0580 107.4752 46.2719 0.0000 173.1453 62 L 4.3896 7.4749 119.4258 52.9928 42.6924 176.6881 63 K 4.5840 8.5131 122.8201 54.2995 35.2592 174.9582 64 D 4.5654 8.2325 118.4532 54.4484 39.9331 176.1600 65 G 4.0339 9.0489 110.3624 45.4749 0.0000 173.9784 66 D 4.5981 7.5627 118.9893 54.2481 42.0652 175.4253 67 Q 4.9558 8.6357 121.1089 54.5704 30.4486 175.0537 68 V 4.5182 8.3198 124.4153 59.1874 34.3401 175.3152 69 V 4.3366 8.3604 125.4903 62.9796 32.3596 174.6365 70 F 5.6016 8.4852 122.4418 55.3689 40.8171 174.4980 71 M 4.5369 9.0868 119.6271 53.6943 35.6388 174.9179 72 V 4.9219 8.3219 115.5401 59.3186 34.0464 175.3891 73 S 4.6489 8.1259 117.9539 57.3871 66.9795 174.0043 74 Q 3.7195 7.8114 122.0281 55.4659 29.5152 176.2240 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 3 S 8.19 4.50 0.00 3.94 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 6.26 4.79 0.00 1.33 1.09 0.78 0.31 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 5 T 9.25 4.86 4.19 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 1.25 0.00 0.00 6 F 8.68 5.88 0.00 3.02 3.12 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 0.00 0.00 0.00 0.00 7 K 8.69 5.08 0.00 1.73 1.72 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.45 7.81 8 N 8.55 3.96 0.00 2.52 2.88 0.00 0.00 7.20 6.56 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 9 F 8.38 4.60 0.00 3.01 2.89 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 10 K 8.19 4.27 0.00 1.89 1.94 0.00 1.93 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.43 7.81 11 K 9.13 3.54 0.00 1.94 1.90 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.37 7.81 12 E 8.65 4.47 0.00 2.11 2.29 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 2.34 2.27 0.00 13 K 8.47 5.17 0.00 1.71 1.76 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.45 7.81 14 V 8.69 4.39 1.98 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 0.91 0.00 0.00 0.95 0.00 0.00 15 P 0.00 5.01 0.00 2.14 2.09 0.00 3.80 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 2.00 2.02 0.00 16 L 8.85 4.78 0.00 1.95 1.62 0.17 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.67 4.97 0.00 2.69 2.58 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 0.00 0.00 0.00 0.00 18 L 8.38 4.87 0.00 1.64 1.52 1.07 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.62 4.28 0.00 2.14 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 2.51 2.29 0.00 20 P 0.00 4.74 0.00 2.18 2.12 0.00 3.54 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 21 S 7.49 4.59 0.00 3.78 3.83 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 22 N 7.65 4.75 0.00 3.08 3.04 0.00 0.00 6.31 7.10 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 23 T 8.31 4.59 4.44 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 1.26 0.00 0.00 24 I 8.48 3.85 2.10 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 1.46 0.58 0.94 0.00 0.00 25 L 7.80 3.93 0.00 1.86 1.65 0.91 0.85 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 26 E 8.35 3.95 0.00 2.28 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 0.00 2.31 2.33 0.00 27 T 7.90 3.80 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 1.12 0.00 0.00 28 K 8.03 3.69 0.00 1.90 1.81 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.62 7.81 29 T 7.98 3.58 4.19 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 1.17 0.00 0.00 30 K 7.78 3.89 0.00 1.91 1.72 0.00 1.63 0.00 0.00 1.51 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.50 7.81 31 L 7.89 3.57 0.00 1.32 1.41 0.22 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.75 4.03 1.31 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 0.00 0.00 0.00 0.00 0.00 33 Q 7.59 3.86 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 34 S 7.72 4.29 0.00 3.85 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 35 I 7.81 4.66 1.82 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.66 0.92 0.00 0.00 36 S 8.62 4.62 0.00 3.75 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 37 C 7.92 4.95 0.00 3.32 2.87 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 38 E 8.32 4.42 0.00 2.03 1.88 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 2.29 2.38 0.00 39 E 8.70 4.00 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.23 0.00 40 S 8.00 4.18 0.00 4.00 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 41 Q 8.09 4.23 0.00 2.19 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 42 I 7.38 4.89 1.98 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 1.23 0.52 0.90 0.00 0.00 43 K 9.30 4.77 0.00 1.70 1.71 0.00 1.51 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.45 7.81 44 L 8.43 5.40 0.00 1.64 1.66 1.03 0.96 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 45 I 9.27 5.07 1.91 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 1.15 1.12 1.00 0.00 0.00 46 Y 8.91 4.85 0.00 2.99 2.81 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 47 S 9.03 3.40 0.00 2.72 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 48 G 9.52 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 49 K 7.66 4.51 0.00 1.96 1.86 0.00 1.32 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.57 1.40 7.81 50 V 8.17 4.35 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 0.88 0.00 0.00 0.96 0.00 0.00 51 L 8.88 4.49 0.00 1.62 1.64 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.37 4.65 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 53 D 9.02 4.51 0.00 2.78 2.77 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 54 S 7.97 4.27 0.00 3.87 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 55 K 8.03 4.34 0.00 1.83 1.75 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.55 7.81 56 T 8.71 4.65 4.34 0.00 0.00 0.00 0.00 0.00 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 57 V 8.36 3.60 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 0.79 0.00 0.00 0.91 0.00 0.00 58 S 8.25 4.09 0.00 3.95 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 59 E 8.10 4.14 0.00 2.14 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 2.36 2.29 0.00 60 C 7.77 4.28 0.00 3.15 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.06 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 62 L 7.47 4.39 0.00 1.73 1.43 0.77 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.51 4.58 0.00 1.91 1.92 0.00 1.31 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.65 7.81 64 D 8.23 4.57 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 65 G 9.05 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 66 D 7.56 4.60 0.00 2.62 2.27 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 67 Q 8.64 4.96 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 68 V 8.32 4.52 1.90 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 -0.09 0.00 0.00 1.07 0.00 0.00 69 V 8.36 4.34 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 0.62 0.00 0.00 0.95 0.00 0.00 70 F 8.49 5.60 0.00 3.03 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 M 9.09 4.54 0.00 1.83 1.87 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.55 0.00 72 V 8.32 4.92 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 1.10 0.00 0.00 0.99 0.00 0.00 73 S 8.13 4.65 0.00 3.88 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.81 3.72 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00