NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4664 8.3349 115.4128 58.3906 64.3751 172.5062 2 T 4.3678 8.0238 117.1487 60.5668 71.0067 172.7770 3 A 3.9622 9.4998 129.1088 52.8524 19.6933 177.1953 4 L 4.1942 8.2956 121.7918 54.2517 42.5791 176.9178 5 A 4.3126 8.1452 124.2014 51.0644 19.5306 177.2206 6 K 4.0632 8.3678 121.5567 55.5424 32.5383 175.4659 7 P 4.6195 0.0000 0.0000 61.3128 33.0047 174.8473 8 Q 4.1831 8.3820 119.6468 56.2466 29.2046 175.1053 9 M 4.7253 8.6496 122.5921 54.7600 34.1413 175.5120 10 R 4.6251 8.1393 117.6311 55.0493 33.1563 175.3928 11 G 4.0158 8.5452 106.5329 46.9065 0.0000 176.1011 12 L 4.0376 7.8787 120.9378 57.0398 41.7648 178.6161 13 L 3.9413 7.8365 119.8180 57.9521 42.1811 178.4956 14 A 3.9744 7.9549 120.2555 55.2406 17.9638 179.1414 15 R 3.8757 8.1281 117.2175 59.8142 30.0920 178.6911 16 R 4.0149 7.8425 117.8179 59.1682 30.0015 178.1170 17 L 3.9017 8.2017 120.3836 58.3798 41.9467 178.6333 18 R 3.9166 8.1497 117.5578 59.9904 30.1362 177.7092 19 F 4.5992 8.1660 119.7268 61.6510 39.5609 176.9851 20 H 3.7853 8.3023 115.3634 58.6629 28.4463 177.6088 21 I 3.9947 8.2193 120.8117 63.8341 37.5763 178.2456 22 V 3.8137 8.1638 119.4766 66.0764 31.5441 178.3120 23 G 3.6492 8.2071 104.6196 47.6019 0.0000 175.3118 24 A 4.0053 8.5172 123.5113 55.1791 18.3240 179.7688 25 F 3.8682 8.1522 116.0723 60.7128 39.0663 177.7650 26 M 4.1413 8.4965 118.6630 58.5256 31.9422 179.0495 27 V 3.7108 7.9228 118.1849 66.0756 31.8770 178.1157 28 S 4.1417 8.2082 114.9498 61.8431 62.6952 176.8421 29 L 4.3472 8.4497 121.2545 57.1249 41.2720 179.5983 30 G 3.6591 8.0227 106.0497 47.8030 0.0000 175.5405 31 F 4.0926 8.5231 120.3276 59.9229 39.0672 177.7865 32 A 4.1213 8.1767 119.8799 55.6262 18.2992 179.9132 33 T 3.7919 8.4588 108.6288 64.6707 68.6762 176.5173 34 F 4.1935 8.8785 124.1082 61.4010 39.5007 176.4518 35 Y 3.7844 8.4959 119.3027 60.6665 38.5017 177.4647 36 K 3.6889 8.1040 120.4819 59.7388 31.8662 178.7391 37 F 4.2939 7.8552 117.1567 60.5834 38.8733 177.7014 38 A 3.7962 7.7316 118.6989 53.7563 18.2845 177.2653 39 V 3.8018 6.9590 113.9516 63.9304 33.5348 176.9521 40 A 3.8531 7.3928 121.1740 55.2499 18.2376 179.1251 41 E 3.9063 8.5662 116.3635 59.5081 29.6445 179.6179 42 K 3.8454 7.4651 119.1997 59.7911 32.3168 178.7361 43 R 4.0154 8.0696 118.7236 59.2113 29.8622 178.5795 44 K 4.0795 8.2044 118.5702 59.0077 31.9080 179.3226 45 K 3.9846 8.1572 119.7790 59.3961 32.3387 178.4897 46 A 4.0139 8.2737 121.3487 55.8421 18.2808 179.3034 47 Y 3.8398 8.2921 114.2674 60.8568 37.7492 178.2795 48 A 4.1783 7.7675 121.3243 55.2838 18.5223 179.1565 49 D 4.4783 8.6453 117.9450 57.3022 40.6668 178.7134 50 F 3.8889 7.8603 120.2402 61.6475 39.3653 175.6059 51 Y 4.5588 7.9005 114.3503 58.7161 37.8100 176.9853 52 R 4.0799 7.9219 121.2756 59.1842 30.8337 176.9619 53 N 5.0119 7.8531 112.2584 52.2618 38.1398 173.6124 54 Y 4.4673 7.5295 119.8920 55.4249 41.9240 173.5648 55 D 4.4869 7.4135 125.0827 51.8557 43.4507 176.4002 56 S 4.0148 8.1703 124.9815 60.9252 63.0005 176.0555 57 M 4.0931 8.0076 121.4552 58.2301 31.9413 177.9898 58 K 3.8462 8.0731 119.3203 59.5716 32.4390 177.8921 59 D 4.3296 8.0263 118.1981 57.3109 41.1507 177.8422 60 F 4.3557 8.5108 121.3305 61.5285 39.3579 176.6269 61 E 3.6142 8.6521 118.3493 59.6462 29.1556 179.2308 62 E 3.9088 8.3682 118.5264 59.8997 29.2592 179.5598 63 M 3.9061 7.9569 118.5269 58.0161 31.9893 178.7466 64 R 4.0342 8.0705 119.1662 59.5649 30.0727 178.8566 65 K 3.9586 8.0462 116.6924 59.0773 32.0729 178.5514 66 A 4.2014 7.4911 119.3110 52.3318 18.4313 177.8046 67 G 3.8058 7.8360 105.4404 46.2277 0.0000 175.2979 68 I 3.7971 7.0623 114.2933 62.9370 38.0428 176.8369 69 F 4.6874 7.4450 118.1028 57.3073 39.3322 174.9322 70 Q 4.6138 8.8413 119.3760 56.1534 29.4508 176.1033 71 S 4.6203 8.1884 111.4264 58.2105 63.9672 174.5329 72 A 4.5405 7.6766 123.9047 51.4350 19.5719 176.2579 73 K 4.2448 8.4628 119.4577 57.1528 32.2842 177.4074 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 S 8.33 4.47 0.00 3.99 3.95 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 2 T 8.02 4.37 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 3 A 9.50 3.96 1.25 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 4 L 8.30 4.19 0.00 1.65 1.61 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.15 4.31 1.24 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 0.00 0.00 0.00 6 K 8.37 4.06 0.00 1.73 1.74 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 P 0.00 4.62 0.00 2.22 2.07 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 8 Q 8.38 4.18 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 9 M 8.65 4.73 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 10 R 8.14 4.63 0.00 1.79 1.81 0.00 3.32 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 11 G 8.55 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 0.00 0.00 0.00 12 L 7.88 4.04 0.00 1.71 1.74 0.93 0.55 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 13 L 7.84 3.94 0.00 1.76 1.66 0.92 1.06 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 14 A 7.95 3.97 1.34 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 0.00 0.00 15 R 8.13 3.88 0.00 1.99 2.24 0.00 3.12 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 16 R 7.84 4.01 0.00 1.96 2.09 0.00 3.13 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 17 L 8.20 3.90 0.00 1.80 1.86 0.93 1.14 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 18 R 8.15 3.92 0.00 1.98 2.25 0.00 3.35 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 19 F 8.17 4.60 0.00 3.14 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 20 H 8.30 3.79 0.00 3.16 3.23 0.00 5.88 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.22 3.99 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 1.09 0.00 0.00 22 V 8.16 3.81 2.49 0.00 0.00 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 0.00 0.00 1.02 0.00 0.00 23 G 8.21 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.52 4.01 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 25 F 8.15 3.87 0.00 3.24 3.18 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 26 M 8.50 4.14 0.00 2.10 2.35 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 2.71 3.03 0.00 27 V 7.92 3.71 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 1.25 0.00 0.00 1.08 0.00 0.00 28 S 8.21 4.14 0.00 3.94 3.81 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 29 L 8.45 4.35 0.00 1.80 1.82 1.06 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.02 3.66 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 0.00 0.00 0.00 31 F 8.52 4.09 0.00 3.32 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.18 4.12 1.44 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 0.00 0.00 0.00 33 T 8.46 3.79 4.40 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 1.34 0.00 0.00 34 F 8.88 4.19 0.00 3.18 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 35 Y 8.50 3.78 0.00 3.30 3.18 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 36 K 8.10 3.69 0.00 1.66 1.38 0.00 1.44 0.00 0.00 1.07 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.47 1.17 7.81 37 F 7.86 4.29 0.00 3.08 2.98 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 0.00 0.00 0.00 38 A 7.73 3.80 0.56 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 0.00 0.00 0.00 0.00 0.00 0.00 39 V 6.96 3.80 0.96 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 0.55 0.00 0.00 0.50 0.00 0.00 40 A 7.39 3.85 1.27 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 0.00 0.00 41 E 8.57 3.91 0.00 2.23 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 2.30 2.81 0.00 42 K 7.47 3.85 0.00 1.66 1.90 0.00 1.60 0.00 0.00 1.51 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.43 7.81 43 R 8.07 4.02 0.00 1.98 2.19 0.00 3.13 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 44 K 8.20 4.08 0.00 2.02 1.88 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.43 7.81 45 K 8.16 3.98 0.00 2.02 2.01 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.49 7.81 46 A 8.27 4.01 1.37 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 0.00 0.00 0.00 47 Y 8.29 3.84 0.00 3.21 3.24 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 0.00 48 A 7.77 4.18 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.65 4.48 0.00 2.78 2.75 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 50 F 7.86 3.89 0.00 2.89 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.90 4.56 0.00 3.18 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 52 R 7.92 4.08 0.00 1.98 2.19 0.00 3.29 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 53 N 7.85 5.01 0.00 2.68 2.70 0.00 0.00 6.63 7.46 0.00 0.00 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 Y 7.53 4.47 0.00 2.97 2.84 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 55 D 7.41 4.49 0.00 2.53 2.26 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 0.00 56 S 8.17 4.01 0.00 4.20 4.35 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 57 M 8.01 4.09 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.61 0.00 58 K 8.07 3.85 0.00 1.91 1.82 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.46 7.81 59 D 8.03 4.33 0.00 2.88 2.92 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 60 F 8.51 4.36 0.00 3.30 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.65 3.61 0.00 2.12 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 2.63 2.56 0.00 62 E 8.37 3.91 0.00 2.12 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 2.30 2.62 0.00 63 M 7.96 3.91 0.00 1.63 2.34 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.45 0.00 64 R 8.07 4.03 0.00 0.97 1.76 0.00 3.32 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.00 0.00 65 K 8.05 3.96 0.00 1.68 1.82 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.56 7.81 66 A 7.49 4.20 1.24 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 0.00 0.00 0.00 67 G 7.84 3.81 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 0.00 0.00 0.00 68 I 7.06 3.80 1.60 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.36 0.73 0.00 0.00 69 F 7.44 4.69 0.00 3.38 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 70 Q 8.84 4.61 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 71 S 8.19 4.62 0.00 3.97 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 72 A 7.68 4.54 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 4.24 0.00 1.80 1.76 0.00 1.97 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.41 7.81