NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.4473 8.2993 120.1475 56.8114 33.7554 174.5003 2 S 4.4358 8.0396 112.9005 55.6524 66.1400 173.9765 3 P 4.3417 0.0000 0.0000 65.9515 31.4340 179.5182 4 E 3.9280 8.2365 117.1891 59.4613 29.6071 178.4355 5 E 4.0057 8.1095 117.9438 59.4479 29.5828 179.2922 6 L 4.2135 8.5107 119.2482 57.9258 41.7973 179.5425 7 K 3.8794 8.7097 119.8854 59.4147 32.0499 178.6674 8 G 3.6972 8.5025 106.2978 48.1068 0.0000 175.5094 9 I 3.8037 8.3171 123.2365 63.7256 37.2056 177.9743 10 F 3.7394 8.6113 121.8336 61.4140 39.0373 176.7262 11 E 4.1466 8.7565 120.1184 58.6408 29.2890 178.4011 12 K 3.8109 8.1862 118.5310 60.0989 32.4033 177.9058 13 Y 3.6956 8.6216 116.8137 60.6453 37.7794 177.8746 14 A 3.7449 8.2003 121.7558 55.5612 18.2255 179.3004 15 A 3.9134 8.0171 117.8262 55.6039 18.3618 179.6186 16 K 4.1175 8.0593 115.3015 59.4750 32.5282 176.2164 17 E 4.3473 8.5816 117.4710 57.0928 32.9949 178.4881 18 G 3.0614 8.2066 104.2755 46.0139 0.0000 174.2880 19 D 4.6293 6.6167 119.2725 51.5778 45.5308 174.6226 20 P 4.4903 0.0000 0.0000 65.8162 31.2430 177.2635 21 N 4.9196 9.1772 116.5321 54.6440 39.0586 173.8228 22 Q 5.1569 8.6229 117.4712 54.7326 32.8896 174.1362 23 L 4.5545 9.0336 125.7931 53.5027 43.0874 177.1609 24 S 4.6202 8.6381 119.0164 57.7265 64.3983 175.1463 25 K 3.8435 8.7105 120.4671 59.7202 31.5119 177.9837 26 E 3.8737 8.0069 118.7752 59.3870 29.6457 178.1125 27 E 3.9450 8.3661 119.3238 59.1065 29.6778 178.4661 28 L 3.9862 8.5339 120.6319 58.2103 42.1468 178.7046 29 K 3.9368 8.3724 119.6912 59.6013 32.0633 178.5269 30 L 4.0359 8.2731 119.2338 57.8049 41.6177 178.9747 31 L 2.9695 8.2555 120.3794 57.9608 41.9446 178.6402 32 L 4.0668 8.3993 118.9698 58.3150 41.4836 179.7040 33 Q 4.0446 8.0897 116.2321 59.2774 28.7069 179.0562 34 T 3.9688 7.6245 115.4440 66.6274 68.6384 176.2698 35 E 3.7897 7.8485 118.9507 57.5828 31.2327 177.3137 36 F 5.1015 7.9081 115.9849 54.4009 39.5060 173.7648 37 P 4.2985 0.0000 0.0000 66.4905 31.5121 178.1100 38 S 4.3184 8.1134 113.6067 60.5531 61.8469 175.8304 39 L 3.9294 8.0316 122.8945 57.1033 41.2991 179.4951 40 L 4.3319 8.0284 118.6313 59.0399 40.3037 179.3631 41 K 4.1324 8.6394 119.8550 58.8379 31.9566 177.3043 42 G 4.1527 7.8090 106.1031 44.4937 0.0000 173.7258 43 G 4.3760 7.3802 107.7988 43.9270 0.0000 172.6528 44 S 4.6898 8.3292 114.1285 56.1768 67.5275 175.2265 45 T 4.3708 9.0723 113.8386 60.7482 71.1009 175.6144 46 L 4.0007 8.4075 122.6127 58.4903 41.9959 178.6473 47 D 4.4346 8.1141 118.0892 57.5335 40.8457 178.2770 48 E 3.9725 8.2814 118.8040 59.4519 29.4759 179.1860 49 L 3.9138 8.2763 120.4061 58.1855 42.1989 178.4704 50 F 4.0442 8.7468 120.7659 61.5109 39.0498 176.8401 51 E 3.7240 8.4479 116.7568 59.3830 29.3903 178.5473 52 E 4.0215 8.2092 118.1705 59.4248 29.6990 178.7235 53 L 4.0245 7.8426 117.8898 57.3757 43.3268 178.4784 54 D 4.6306 7.9514 118.8404 53.0660 37.2817 176.7510 55 K 3.8079 7.7007 121.6288 59.6326 32.3029 178.7110 56 N 4.2946 9.1759 117.4966 54.5002 38.9475 175.2342 57 G 3.9719 8.1373 106.0740 46.4956 0.0000 174.5872 58 D 4.4534 7.7595 118.1250 54.4441 39.8539 176.3941 59 G 4.0016 8.1528 108.0066 45.3664 0.0000 173.2150 60 E 5.1501 8.9169 118.6440 54.6677 34.1952 175.7075 61 V 4.2549 9.0680 122.5011 61.6273 32.5074 175.7879 62 S 5.0156 8.6812 123.2247 57.9400 64.0554 174.9807 63 F 3.1540 8.9282 122.8711 61.0817 39.0998 176.7389 64 E 3.8104 8.0607 118.3144 59.3756 29.4952 178.3633 65 E 3.9015 8.2824 118.4980 59.5132 29.4800 179.1413 66 F 4.1590 8.7635 120.7966 61.4339 39.2308 177.0846 67 Q 3.7118 7.8582 117.6422 58.6510 28.2732 179.0469 68 V 3.4559 7.7806 119.7556 65.6168 31.4546 177.7756 69 L 3.6483 7.3748 119.5226 57.9849 41.8717 178.6127 70 V 3.2220 7.2071 118.3321 65.8758 31.2789 177.6837 71 K 3.7441 8.1155 119.3225 59.4543 31.7808 178.5521 72 K 3.8025 7.8836 117.6868 59.5665 32.1088 178.9580 73 I 3.6108 7.4765 112.0589 64.0545 37.3416 177.9630 74 S 4.1582 7.9629 116.3205 61.2552 62.7738 174.9326 75 Q 4.2475 8.1464 124.1698 56.0808 28.7388 175.6887 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 1 K 8.30 4.45 0.00 1.86 1.95 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.66 1.67 7.81 2 S 8.04 4.44 0.00 4.10 3.94 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 0.00 0.00 0.00 3 P 0.00 4.34 0.00 2.24 2.25 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 4 E 8.24 3.93 0.00 2.06 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 0.00 2.40 2.42 0.00 5 E 8.11 4.01 0.00 2.38 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 2.38 2.40 0.00 6 L 8.51 4.21 0.00 2.10 2.16 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.71 3.88 0.00 1.76 1.81 0.00 1.19 0.00 0.00 1.40 0.00 0.00 2.62 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.99 0.21 7.81 8 G 8.50 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.32 3.80 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.95 0.76 0.00 0.00 10 F 8.61 3.74 0.00 2.82 3.21 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 0.00 0.00 0.00 0.00 11 E 8.76 4.15 0.00 2.15 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 0.00 2.31 2.20 0.00 12 K 8.19 3.81 0.00 1.90 2.14 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.24 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.48 7.81 13 Y 8.62 3.70 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 14 A 8.20 3.74 1.07 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 0.00 0.00 15 A 8.02 3.91 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 4.12 0.00 1.87 1.80 0.00 1.39 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.35 1.42 7.81 17 E 8.58 4.35 0.00 1.83 1.82 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 2.20 2.33 0.00 18 G 8.21 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 0.00 0.00 0.00 19 D 6.62 4.63 0.00 2.81 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 4.49 0.00 2.27 2.32 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 21 N 9.18 4.92 0.00 2.87 3.09 0.00 0.00 6.90 7.32 0.00 0.00 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 Q 8.62 5.16 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 23 L 9.03 4.55 0.00 1.72 1.58 0.63 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.64 4.62 0.00 3.89 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 25 K 8.71 3.84 0.00 0.87 1.53 0.00 1.43 0.00 0.00 1.57 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.23 7.81 26 E 8.01 3.87 0.00 2.04 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 2.43 2.36 0.00 27 E 8.37 3.95 0.00 2.23 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 2.31 2.41 0.00 28 L 8.53 3.99 0.00 1.96 2.06 1.22 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.37 3.94 0.00 2.03 2.03 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.23 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.57 7.81 30 L 8.27 4.04 0.00 2.11 1.94 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.26 2.97 0.00 1.36 1.74 0.75 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.40 4.07 0.00 1.95 1.84 1.05 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.09 4.04 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 34 T 7.62 3.97 4.12 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 1.24 0.00 0.00 35 E 7.85 3.79 0.00 1.16 1.12 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 1.99 2.07 0.00 36 F 7.91 5.10 0.00 3.00 2.90 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 37 P 0.00 4.30 0.00 2.24 2.33 0.00 3.87 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 38 S 8.11 4.32 0.00 4.10 4.12 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 39 L 8.03 3.93 0.00 1.74 1.74 0.79 0.50 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 40 L 8.03 4.33 0.00 1.86 2.03 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.64 4.13 0.00 1.92 1.88 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.73 7.81 42 G 7.81 4.15 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 0.00 0.00 0.00 43 G 7.38 4.38 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 0.00 44 S 8.33 4.69 0.00 3.83 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 45 T 9.07 4.37 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 1.28 0.00 0.00 46 L 8.41 4.00 0.00 1.82 1.75 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.11 4.43 0.00 2.77 2.90 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 48 E 8.28 3.97 0.00 2.27 2.03 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 2.36 2.36 0.00 49 L 8.28 3.91 0.00 1.76 1.94 0.94 0.86 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 50 F 8.75 4.04 0.00 3.26 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 51 E 8.45 3.72 0.00 2.13 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 2.48 2.69 0.00 52 E 8.21 4.02 0.00 1.98 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 0.00 2.27 2.32 0.00 53 L 7.84 4.02 0.00 1.65 1.68 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.95 4.63 0.00 2.20 1.80 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 55 K 7.70 3.81 0.00 1.84 1.83 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.66 7.81 56 N 9.18 4.29 0.00 2.81 3.07 0.00 0.00 7.50 8.28 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 57 G 8.14 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 0.00 0.00 0.00 58 D 7.76 4.45 0.00 2.86 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 59 G 8.15 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 0.00 0.00 0.00 60 E 8.92 5.15 0.00 1.87 1.99 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 2.30 2.37 0.00 61 V 9.07 4.25 2.33 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 1.31 0.00 0.00 1.00 0.00 0.00 62 S 8.68 5.02 0.00 4.04 4.08 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 0.00 0.00 0.00 0.00 63 F 8.93 3.15 0.00 2.41 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 64 E 8.06 3.81 0.00 2.05 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 0.00 2.32 2.34 0.00 65 E 8.28 3.90 0.00 2.29 2.16 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 2.33 2.48 0.00 66 F 8.76 4.16 0.00 3.20 2.90 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 67 Q 7.86 3.71 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.98 5.45 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 68 V 7.78 3.46 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 0.93 0.00 0.00 0.88 0.00 0.00 69 L 7.37 3.65 0.00 1.41 0.91 0.37 0.73 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 70 V 7.21 3.22 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 0.89 0.00 0.00 0.75 0.00 0.00 71 K 8.12 3.74 0.00 1.79 1.83 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.41 7.81 72 K 7.88 3.80 0.00 1.73 1.74 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.51 7.81 73 I 7.48 3.61 1.30 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.22 0.28 0.00 0.00 74 S 7.96 4.16 0.00 3.90 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 75 Q 8.15 4.25 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.48 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00