NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.1525 0.0000 0.0000 63.2242 32.5017 173.1860 3 K 3.5048 8.8301 126.9479 55.4518 29.7156 173.6885 4 M 3.9293 9.3675 124.8866 55.8315 33.2815 176.3062 5 K 4.3950 8.4005 122.3407 54.4163 32.9906 176.4324 6 T 4.3561 8.5392 114.1186 61.5078 68.7661 174.1882 7 H 4.3099 8.7282 126.1562 55.5403 28.3281 175.1647 8 K 3.8229 8.6790 125.4565 59.3773 31.8343 178.2322 9 G 3.8494 7.9831 103.2857 48.1847 0.0000 174.9124 10 A 4.1801 8.3898 122.8283 54.6749 18.3972 179.6466 11 K 3.9391 7.9118 117.7057 59.5063 32.1755 178.6201 12 K 4.2522 8.1702 116.8842 57.8083 32.0029 177.4023 13 R 4.6210 7.6666 113.1410 55.2261 30.8169 175.3634 14 V 4.6196 7.6029 118.2141 61.5468 34.7856 173.4884 15 K 4.7225 8.5468 127.8022 54.5359 35.2760 174.6408 16 I 4.5049 8.3789 126.7758 60.2284 38.5983 175.4631 17 T 4.1668 8.6995 118.7366 61.1000 69.4355 175.2403 18 A 4.2583 8.4001 124.2930 54.4343 20.2974 178.5594 19 S 4.3755 7.8292 107.4595 59.2387 61.0500 176.0842 20 G 4.1997 9.0981 102.8354 44.8204 0.0000 172.2267 21 K 4.7374 8.3714 118.5136 54.1030 36.0715 175.4259 22 V 4.7104 8.4479 120.2004 61.2311 33.7751 174.6776 23 V 5.1212 8.7130 126.3571 60.3073 34.8541 173.9632 24 A 4.6561 8.3062 126.4803 50.4914 23.1213 175.0971 25 M 4.0636 8.3661 118.5369 54.7707 32.8355 176.7908 26 K 4.1171 7.7370 123.3454 56.7779 32.9127 176.7177 27 T 4.3625 8.8280 116.7665 61.5657 70.7254 173.6132 28 G 3.8142 8.6576 111.0543 46.0869 0.0000 173.1312 29 K 4.5290 7.7633 117.5377 56.0518 34.3202 176.2271 30 R 4.2911 7.4537 116.1725 58.4759 31.2825 177.1429 31 H 4.2600 7.8343 117.2698 58.9661 30.6679 177.5619 32 L 3.9238 8.1186 119.6082 58.5942 40.2366 177.3390 33 N 4.4088 7.1624 116.0015 54.1138 39.4236 172.4466 34 W 4.7872 7.8327 121.2028 57.1098 34.4619 174.3878 35 Q 4.3174 6.2290 114.9547 54.9579 29.6414 172.4522 36 K 4.3730 7.4400 119.0803 54.1578 34.6574 177.1274 37 S 4.0794 8.5334 116.8747 58.4309 63.3739 175.6531 38 G 3.7765 8.8138 108.5276 47.9770 0.0000 175.7668 39 K 3.9459 7.9813 121.0298 60.2070 32.3232 177.7266 40 E 3.8619 8.0932 117.8264 60.0785 29.1359 179.2226 41 I 3.6712 7.6686 114.7712 64.2818 37.7021 178.0058 42 R 4.0175 7.7427 120.3124 59.5101 29.8784 178.4652 43 Q 4.0889 8.3465 116.5478 58.5021 28.7522 178.2234 44 K 4.3951 8.0311 117.3496 57.1303 32.4493 178.7929 45 G 3.7106 8.1192 107.4497 47.5703 0.0000 174.2734 46 R 4.3003 7.7770 116.9041 55.0944 31.7405 173.4374 47 K 4.7727 7.8922 117.0369 55.3899 35.2704 174.6870 48 F 4.7790 7.8608 114.1990 57.4870 40.9000 173.0796 49 V 4.7504 8.5309 119.3531 61.8234 33.1220 175.4780 50 L 4.5532 9.0247 119.0700 53.6923 45.4987 177.8109 51 A 3.6289 7.7955 124.0834 53.4162 16.9326 180.3588 52 K 4.0210 8.7385 117.8214 61.4995 31.8387 176.6312 53 P 4.4491 0.0000 0.0000 65.7726 30.8523 177.8264 54 E 3.9166 7.8062 117.7133 59.5438 29.1222 179.0041 55 A 4.0537 8.3448 120.0507 54.9787 18.6161 179.4657 56 E 4.0386 7.9079 116.6861 59.8465 29.8549 179.4673 57 R 3.9234 8.1892 118.1394 59.3452 29.9749 179.1193 58 I 3.9070 7.8151 119.6843 64.1867 36.7945 178.3398 59 K 4.5297 7.8460 116.6254 56.6012 32.3398 177.2848 60 L 4.6387 8.2798 118.5517 56.6109 44.1042 179.2629 61 L 4.7293 7.4694 116.0933 55.0617 41.7581 179.7056 62 L 3.9870 8.0460 119.2900 57.5957 41.7071 177.2631 63 P 4.3718 0.0000 0.0000 64.6626 31.4737 175.5543 64 Y 4.1885 7.7483 125.3352 57.9135 38.6314 174.5979 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 2 P 0.00 4.15 0.00 2.20 2.13 0.00 3.88 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 3 K 8.83 3.50 0.00 2.02 1.92 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.53 7.81 4 M 9.37 3.93 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 5 K 8.40 4.40 0.00 1.73 1.75 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.40 7.81 6 T 8.54 4.36 4.17 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 1.27 0.00 0.00 7 H 8.73 4.31 0.00 3.17 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.68 3.82 0.00 1.71 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.44 7.81 9 G 7.98 3.85 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 0.00 0.00 0.00 10 A 8.39 4.18 1.36 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 0.00 0.00 11 K 7.91 3.94 0.00 1.56 1.76 0.00 1.50 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.15 0.60 7.81 12 K 8.17 4.25 0.00 1.73 1.83 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.62 7.81 13 R 7.67 4.62 0.00 1.90 1.97 0.00 3.07 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.59 0.00 14 V 7.60 4.62 2.22 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 0.83 0.00 0.00 0.97 0.00 0.00 15 K 8.55 4.72 0.00 1.89 1.61 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.43 7.81 16 I 8.38 4.50 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.22 0.98 0.00 0.00 17 T 8.70 4.17 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 18 A 8.40 4.26 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 19 S 7.83 4.38 0.00 4.03 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.10 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.37 4.74 0.00 1.71 1.73 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.36 7.81 22 V 8.45 4.71 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.00 0.00 0.00 23 V 8.71 5.12 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 1.28 0.00 0.00 0.97 0.00 0.00 24 A 8.31 4.66 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 M 8.37 4.06 0.00 1.82 1.94 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 2.55 2.40 0.00 26 K 7.74 4.12 0.00 1.93 1.74 0.00 1.95 0.00 0.00 2.17 0.00 0.00 3.32 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.80 7.81 27 T 8.83 4.36 4.31 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 1.39 0.00 0.00 28 G 8.66 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 29 K 7.76 4.53 0.00 1.67 1.76 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.44 7.81 30 R 7.45 4.29 0.00 1.86 1.90 0.00 3.45 0.00 0.00 3.17 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 31 H 7.83 4.26 0.00 3.18 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.12 3.92 0.00 1.87 1.91 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.16 4.41 0.00 3.01 2.94 0.00 0.00 7.06 7.83 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 34 W 7.83 4.79 0.00 3.53 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 35 Q 6.23 4.32 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.82 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 36 K 7.44 4.37 0.00 1.73 1.69 0.00 1.95 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.39 7.81 37 S 8.53 4.08 0.00 3.96 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 38 G 8.81 3.78 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 0.00 0.00 0.00 39 K 7.98 3.95 0.00 1.82 1.81 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.54 7.81 40 E 8.09 3.86 0.00 2.16 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 41 I 7.67 3.67 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.55 0.88 0.00 0.00 42 R 7.74 4.02 0.00 1.91 2.17 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 43 Q 8.35 4.09 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 44 K 8.03 4.40 0.00 1.73 1.86 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.67 1.61 7.81 45 G 8.12 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.78 4.30 0.00 1.96 2.08 0.00 2.92 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 47 K 7.89 4.77 0.00 1.51 1.67 0.00 1.75 0.00 0.00 2.34 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.13 1.11 7.81 48 F 7.86 4.78 0.00 2.98 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 49 V 8.53 4.75 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 0.97 0.00 0.00 0.99 0.00 0.00 50 L 9.02 4.55 0.00 1.66 1.53 1.05 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.80 3.63 1.09 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 0.00 0.00 0.00 0.00 0.00 52 K 8.74 4.02 0.00 1.84 1.85 0.00 1.57 0.00 0.00 1.86 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.55 7.81 53 P 0.00 4.45 0.00 2.24 2.31 0.00 3.69 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 2.21 2.04 0.00 54 E 7.81 3.92 0.00 2.30 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 0.00 2.35 2.40 0.00 55 A 8.34 4.05 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 56 E 7.91 4.04 0.00 2.25 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 2.39 2.39 0.00 57 R 8.19 3.92 0.00 1.85 1.99 0.00 3.15 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 58 I 7.82 3.91 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.00 0.93 0.00 0.00 59 K 7.85 4.53 0.00 1.84 1.83 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.71 1.59 7.81 60 L 8.28 4.64 0.00 1.68 1.64 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.47 4.73 0.00 1.82 1.66 0.90 0.59 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 62 L 8.05 3.99 0.00 1.66 1.75 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.37 0.00 2.23 2.22 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 64 Y 7.75 4.19 0.00 2.92 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