NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 L 4.2302 8.1844 120.6294 54.0938 43.3804 175.8844 14 E 3.6130 8.2499 119.2660 56.5800 29.5109 171.3922 15 V 4.5569 8.4737 119.3174 59.5833 35.4022 174.2017 16 G 4.1009 8.4787 109.6357 43.9330 0.0000 171.5675 17 V 4.3479 7.8235 118.4416 61.3209 33.2538 173.8439 18 Y 4.9969 8.6922 125.0694 56.1111 40.8205 174.5056 19 E 4.5924 9.0966 125.3405 55.3384 31.2492 174.6220 20 C 5.3927 8.6348 123.2125 58.1552 32.6520 173.0873 21 E 4.6870 9.2335 122.2215 54.8179 32.8937 173.8644 22 I 4.9976 8.5193 126.9558 59.7474 40.4762 174.3218 23 H 4.9507 9.5268 126.5393 54.4798 32.6075 171.9259 24 L 5.4283 8.8417 125.0759 52.9145 45.2440 176.1777 25 K 4.8624 9.2830 122.9117 54.7130 35.3126 175.1733 26 F 5.2628 8.1483 117.0706 56.2003 40.6002 173.2415 27 R 4.7437 8.9922 119.2689 54.6211 32.8416 175.0954 28 L 5.2734 8.2222 123.1563 53.6719 45.4390 175.2602 29 I 4.3112 8.8982 127.9252 60.7078 37.7065 175.0887 30 E 4.7795 8.6496 126.3629 54.0873 33.0460 174.3242 31 E 4.1099 8.7247 122.9417 56.3366 30.2946 178.2764 32 K 3.9418 8.9874 123.5722 59.6453 32.2912 179.2122 33 S 4.2631 8.0013 111.4742 60.4823 63.0087 174.7954 34 L 4.3074 7.7831 119.7582 55.5754 41.7246 177.0893 35 L 4.6498 7.8005 117.5184 54.4789 42.2319 176.9111 36 S 4.4506 7.9546 112.3266 58.0799 63.6884 173.1232 37 D 4.7868 7.6487 121.9419 52.3979 42.2833 176.1349 38 R 3.9166 8.7155 127.4940 59.8184 29.8280 178.0266 39 E 4.1705 8.1051 116.8913 58.3529 29.8195 178.1116 40 Q 4.4911 7.8789 116.1376 55.4633 29.5506 177.1685 41 L 3.9419 7.4741 121.4830 58.1712 42.1419 178.5097 42 L 3.9667 7.8842 119.6239 58.2963 42.0400 178.4967 43 Q 3.9932 8.0684 118.9992 59.1301 29.0200 178.1913 44 V 3.5837 7.9594 119.3447 65.9368 31.4753 178.1058 45 L 4.1221 8.0099 118.7240 57.8683 41.4532 179.3817 46 L 3.9405 8.3582 119.3571 57.9243 41.4418 179.4044 47 D 4.2844 8.3828 118.7601 57.2016 40.6533 178.7062 48 A 3.9163 7.8463 120.8523 55.0988 18.1865 179.5553 49 L 3.7034 7.7173 116.5208 58.2159 41.7009 179.7442 50 T 3.9593 7.8736 114.8348 66.5058 68.4903 176.0284 51 E 4.0488 8.2069 120.2649 57.8868 29.9929 177.7042 52 G 3.9083 8.1347 105.4813 46.2993 0.0000 173.3048 53 S 4.4558 7.9140 113.6700 57.0952 63.0783 174.2847 54 D 4.6591 8.7431 127.7545 56.8049 40.8231 177.2850 55 D 4.4354 7.8537 118.5208 56.0879 41.1779 176.9017 56 F 4.7136 8.1959 115.9514 56.9773 42.2619 175.0059 57 L 5.3350 8.5643 120.1343 53.0496 45.0805 175.4070 58 E 4.6593 9.3474 126.6682 54.6558 32.3965 174.6028 59 T 4.5156 8.6619 124.5258 63.6252 68.7434 174.4653 60 L 4.4837 9.2847 127.3534 56.5421 43.1036 177.4369 61 Q 4.7223 7.9177 115.8119 54.1796 33.4045 174.0388 62 A 5.1091 8.5125 123.6500 50.4884 22.4197 175.3010 63 S 4.5468 9.4875 117.3126 56.5093 65.8432 172.7978 64 V 4.8236 8.5790 126.5322 61.1488 33.8046 174.5139 65 K 4.8153 9.2360 127.2828 54.6009 35.8354 175.6123 66 A 4.9636 8.5368 125.3042 50.8667 21.7854 175.0585 67 Q 4.6657 9.2211 124.0484 54.2721 32.2526 174.3675 68 E 3.8637 8.9687 127.5904 56.3577 30.2998 175.8905 69 V 4.5916 8.2247 119.0852 59.0243 36.2502 175.4475 70 S 4.2866 8.5304 116.3751 58.1191 63.0390 174.9139 71 E 4.0575 8.5376 123.8863 58.5109 29.6499 178.9216 72 F 4.1899 7.4822 118.4724 60.2845 39.0485 176.7832 73 K 4.1269 7.9639 118.6682 58.5282 32.1092 177.6105 74 A 4.1830 7.5467 121.6353 51.5122 19.0683 177.9862 75 S 4.3226 8.4137 115.2380 57.6256 65.0205 173.5748 76 P 4.1847 0.0000 0.0000 66.1703 31.1413 178.5543 77 Q 3.9500 8.0744 117.3741 59.6109 28.9130 178.2190 78 M 4.0842 7.9704 119.2709 58.4427 32.1034 178.9850 79 R 3.8674 8.5969 118.6017 59.1743 30.1809 179.3176 80 R 3.9087 8.1855 118.0620 59.2897 30.0229 178.8515 81 Q 3.9575 7.9625 119.3135 58.9773 29.0299 177.9879 82 L 3.9126 8.1308 121.5504 58.4733 42.0131 178.9069 83 M 4.0327 7.9057 118.2534 58.3048 31.6465 178.6745 84 R 3.8726 7.7597 117.8051 59.5570 30.3497 178.3309 85 L 4.1577 7.9010 117.6393 57.5938 41.7668 179.0524 86 R 4.2081 8.0053 115.8529 57.2932 30.2810 176.3698 87 N 4.5982 7.7900 121.0337 53.2814 39.2050 174.0555 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 8.18 4.23 0.00 1.65 1.76 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.25 3.61 0.00 2.01 1.95 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 2.32 2.40 0.00 15 V 8.47 4.56 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 0.86 0.00 0.00 0.94 0.00 0.00 16 G 8.48 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.82 4.35 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 1.06 0.00 0.00 0.87 0.00 0.00 18 Y 8.69 5.00 0.00 2.89 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 19 E 9.10 4.59 0.00 2.06 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 2.27 2.30 0.00 20 C 8.63 5.39 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.23 4.69 0.00 2.00 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 2.21 2.29 0.00 22 I 8.52 5.00 1.89 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 1.24 0.80 0.94 0.00 0.00 23 H 9.53 4.95 0.00 3.14 3.12 0.00 5.52 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.84 5.43 0.00 1.74 1.73 0.88 0.91 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 25 K 9.28 4.86 0.00 1.63 1.64 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.30 7.81 26 F 8.15 5.26 0.00 3.16 2.96 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 0.00 0.00 0.00 27 R 8.99 4.74 0.00 1.80 1.88 0.00 3.08 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 28 L 8.22 5.27 0.00 1.77 1.59 1.10 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.90 4.31 1.99 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.67 1.02 0.00 0.00 30 E 8.65 4.78 0.00 1.92 1.81 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 2.23 2.42 0.00 31 E 8.72 4.11 0.00 2.09 1.89 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 2.43 2.37 0.00 32 K 8.99 3.94 0.00 1.82 1.88 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.46 7.81 33 S 8.00 4.26 0.00 3.98 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 34 L 7.78 4.31 0.00 1.87 1.76 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.80 4.65 0.00 1.63 1.66 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.95 4.45 0.00 3.97 3.97 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 37 D 7.65 4.79 0.00 2.67 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 38 R 8.72 3.92 0.00 1.92 1.92 0.00 3.23 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 39 E 8.11 4.17 0.00 2.10 2.00 0.00 0.00 0.00 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 2.39 0.00 40 Q 7.88 4.49 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 41 L 7.47 3.94 0.00 1.95 1.68 0.99 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.88 3.97 0.00 1.82 1.67 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.07 3.99 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 44 V 7.96 3.58 2.25 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 1.00 0.00 0.00 1.00 0.00 0.00 45 L 8.01 4.12 0.00 2.02 1.98 1.02 0.78 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 46 L 8.36 3.94 0.00 1.78 1.70 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.38 4.28 0.00 2.84 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 48 A 7.85 3.92 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 49 L 7.72 3.70 0.00 1.63 1.56 0.64 -0.06 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 50 T 7.87 3.96 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 1.17 0.00 0.00 51 E 8.21 4.05 0.00 1.94 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 2.21 2.34 0.00 52 G 8.13 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 53 S 7.91 4.46 0.00 3.94 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 54 D 8.74 4.66 0.00 2.73 2.73 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 55 D 7.85 4.44 0.00 2.75 2.42 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 56 F 8.20 4.71 0.00 2.97 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 57 L 8.56 5.34 0.00 1.66 1.75 0.89 0.77 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 58 E 9.35 4.66 0.00 2.06 1.81 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 2.23 2.27 0.00 59 T 8.66 4.52 4.26 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 1.25 0.00 0.00 60 L 9.28 4.48 0.00 1.63 1.73 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 7.92 4.72 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 62 A 8.51 5.11 1.18 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 0.00 0.00 0.00 0.00 0.00 63 S 9.49 4.55 0.00 3.85 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 64 V 8.58 4.82 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 0.87 0.00 0.00 0.93 0.00 0.00 65 K 9.24 4.82 0.00 1.71 1.66 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.37 7.81 66 A 8.54 4.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.22 4.67 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 68 E 8.97 3.86 0.00 1.70 1.66 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 1.91 1.47 0.00 69 V 8.22 4.59 2.07 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 0.80 0.00 0.00 0.90 0.00 0.00 70 S 8.53 4.29 0.00 4.05 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 71 E 8.54 4.06 0.00 1.99 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 1.90 1.51 0.00 72 F 7.48 4.19 0.00 3.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.96 4.13 0.00 1.94 1.90 0.00 1.73 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.46 7.81 74 A 7.55 4.18 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 75 S 8.41 4.32 0.00 4.06 4.02 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 76 P 0.00 4.18 0.00 2.17 2.17 0.00 3.61 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 2.13 2.18 0.00 77 Q 8.07 3.95 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 78 M 7.97 4.08 0.00 2.14 2.19 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 2.62 2.58 0.00 79 R 8.60 3.87 0.00 1.89 1.92 0.00 3.10 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.95 0.00 80 R 8.19 3.91 0.00 2.01 1.97 0.00 3.12 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 81 Q 7.96 3.96 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 82 L 8.13 3.91 0.00 2.01 1.71 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 83 M 7.91 4.03 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.51 0.00 84 R 7.76 3.87 0.00 2.00 2.14 0.00 3.42 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 85 L 7.90 4.16 0.00 1.78 1.71 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.01 4.21 0.00 1.84 1.96 0.00 3.06 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 87 N 7.79 4.60 0.00 2.71 2.65 0.00 0.00 6.80 8.91 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