NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.8752 8.3249 119.4004 57.6682 40.1867 174.4829 4 R 4.2671 8.7343 124.1391 56.6690 31.5123 175.3106 5 I 4.0671 8.6978 121.2550 61.4520 39.0270 175.2516 6 R 5.2888 9.2258 125.5885 54.3708 34.6173 174.4864 7 K 4.8747 8.8829 118.6808 55.4810 36.4263 174.5140 8 C 4.8275 8.8813 123.9189 55.6651 44.0492 172.7910 9 P 3.9466 0.0000 0.0000 64.7848 31.0875 176.8014 10 K 4.2352 7.6574 119.4709 58.3593 33.1515 176.1236 11 C 4.2667 8.0628 112.9512 57.4600 41.6591 175.1322 12 G 3.6471 8.2061 106.7491 44.4038 0.0000 173.2651 13 R 4.0490 7.4819 121.1240 56.4874 31.2336 174.8682 14 Y 4.7590 8.5658 123.9496 58.0118 39.0838 174.5233 15 T 4.6560 9.0331 116.8903 61.5542 71.1883 173.9189 16 L 4.3782 8.6285 123.7003 55.2191 42.4751 177.4733 17 K 4.4305 7.8454 118.3786 55.5403 33.1995 176.8912 18 E 4.2973 8.5634 119.8760 57.9403 30.7046 177.0949 19 V 4.8527 7.5529 111.9310 58.9511 34.6629 175.3700 20 C 4.1771 9.3155 126.4725 59.2656 31.7442 172.9460 21 P 4.2779 0.0000 0.0000 64.8851 30.7268 176.6732 22 V 3.9469 7.0264 118.7233 64.7740 32.4061 176.4394 23 C 4.1578 7.8339 116.7711 59.7669 30.0873 175.1239 24 G 3.9593 7.9257 107.0407 44.5149 0.0000 173.1665 25 E 4.3180 7.7382 119.0031 55.4998 31.2153 176.2432 26 K 4.5871 8.5218 121.9944 57.0320 32.3941 177.1728 27 T 4.4023 9.0851 116.0847 61.1236 70.8995 173.7963 28 K 4.7686 8.4099 121.2808 54.0387 36.1452 175.8675 29 V 4.0830 8.4100 121.8096 63.4358 31.3456 176.2098 30 A 4.1439 8.7484 130.8951 55.1167 18.6559 177.9885 31 H 4.3783 7.8228 112.5702 54.5879 29.4781 173.6410 32 P 4.5212 0.0000 0.0000 61.3985 32.0610 174.4097 33 P 4.4595 0.0000 0.0000 62.7205 31.7382 176.5041 34 R 4.2100 8.3969 118.7858 56.2732 30.7059 175.9998 35 F 4.8708 8.6009 122.2406 56.4150 42.3871 174.1348 36 S 4.6326 7.4017 123.1428 55.6782 64.6784 173.5193 37 P 4.3338 0.0000 0.0000 65.7718 31.3234 177.5887 38 E 3.8233 8.1216 117.6765 57.8547 29.8612 176.3962 39 D 4.0246 7.4811 115.8909 54.2723 39.7145 172.0657 40 P 4.0197 0.0000 0.0000 64.9342 32.0423 177.4648 41 Y 5.0564 7.4539 113.3388 57.5930 38.8818 177.2077 42 G 4.0114 8.0134 111.2015 47.3142 0.0000 175.5008 43 E 3.9381 8.2852 121.2497 59.4729 29.6540 178.5296 44 Y 4.1601 8.0003 115.9406 60.7722 38.0157 177.8409 45 R 4.2060 9.0450 120.2462 59.7351 30.1765 178.7877 46 R 3.9784 8.9584 118.7063 59.2789 29.8500 179.0706 47 R 3.9173 7.9261 118.3532 58.9091 30.0594 178.3883 48 W 4.2422 8.2964 127.8559 60.4939 30.9230 177.9715 49 K 3.1816 8.3789 119.7595 59.1943 31.4049 178.9960 50 R 3.8668 8.2155 118.7659 59.1337 29.7357 178.6164 51 E 3.9050 7.6905 118.3225 59.2374 29.6937 178.7698 52 V 3.6083 7.2612 117.5286 65.2835 31.6442 177.1053 53 L 4.3553 7.5171 115.6401 53.8842 41.8487 177.3549 54 G 3.8286 7.7274 106.4653 46.0206 0.0000 173.6620 55 I 3.9318 7.3700 125.2184 60.7921 37.9095 175.3610 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 F 8.32 4.88 0.00 3.12 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 4 R 8.73 4.27 0.00 1.95 2.03 0.00 3.22 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 5 I 8.70 4.07 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.99 1.06 0.00 0.00 6 R 9.23 5.29 0.00 1.86 1.91 0.00 3.15 0.00 0.00 3.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 7 K 8.88 4.87 0.00 1.14 1.15 0.00 0.85 0.00 0.00 1.39 0.00 0.00 2.54 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.13 1.17 7.81 8 C 8.88 4.83 0.00 3.00 2.94 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 9 P 0.00 3.95 0.00 2.20 2.15 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 10 K 7.66 4.24 0.00 1.69 1.81 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.45 7.81 11 C 8.06 4.27 0.00 3.09 3.19 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 0.00 12 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 13 R 7.48 4.05 0.00 1.94 1.77 0.00 3.26 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 14 Y 8.57 4.76 0.00 2.93 2.88 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 0.00 0.00 0.00 15 T 9.03 4.66 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 1.27 0.00 0.00 16 L 8.63 4.38 0.00 1.70 1.73 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.85 4.43 0.00 1.85 1.74 0.00 1.71 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 1.46 1.42 7.81 18 E 8.56 4.30 0.00 1.93 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 2.41 2.20 0.00 19 V 7.55 4.85 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 0.69 0.00 0.00 0.93 0.00 0.00 20 C 9.32 4.18 0.00 2.94 2.97 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 21 P 0.00 4.28 0.00 2.22 2.18 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 22 V 7.03 3.95 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 0.85 0.00 0.00 0.93 0.00 0.00 23 C 7.83 4.16 0.00 3.11 3.03 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 24 G 7.93 3.96 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 0.00 0.00 0.00 25 E 7.74 4.32 0.00 1.89 1.86 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 2.39 2.27 0.00 26 K 8.52 4.59 0.00 1.64 1.77 0.00 1.88 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.39 7.81 27 T 9.09 4.40 4.23 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 0.00 0.00 0.00 1.25 0.00 0.00 28 K 8.41 4.77 0.00 1.70 1.71 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.34 7.81 29 V 8.41 4.08 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 0.91 0.00 0.00 1.00 0.00 0.00 30 A 8.75 4.14 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 31 H 7.82 4.38 0.00 2.79 2.92 0.00 5.71 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.52 0.00 2.19 2.05 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 33 P 0.00 4.46 0.00 2.29 2.16 0.00 3.81 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 2.08 2.07 0.00 34 R 8.40 4.21 0.00 1.89 1.98 0.00 3.27 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 35 F 8.60 4.87 0.00 2.93 2.91 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 36 S 7.40 4.63 0.00 3.64 3.80 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 37 P 0.00 4.33 0.00 2.18 2.26 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 38 E 8.12 3.82 0.00 1.82 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 2.25 2.30 0.00 39 D 7.48 4.02 0.00 2.64 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.02 0.00 0.49 1.45 0.00 3.39 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 41 Y 7.45 5.06 0.00 3.17 3.01 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 42 G 8.01 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 0.00 0.00 0.00 43 E 8.29 3.94 0.00 1.96 1.76 0.00 0.00 0.00 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 2.25 0.00 44 Y 8.00 4.16 0.00 3.27 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 45 R 9.05 4.21 0.00 2.03 2.34 0.00 3.39 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 46 R 8.96 3.98 0.00 2.18 1.99 0.00 3.19 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 47 R 7.93 3.92 0.00 2.03 2.16 0.00 3.19 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 48 W 8.30 4.24 0.00 3.46 3.46 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 0.00 0.00 0.00 0.00 49 K 8.38 3.18 0.00 1.80 1.81 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.23 1.05 7.81 50 R 8.22 3.87 0.00 2.06 1.93 0.00 3.17 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 51 E 7.69 3.90 0.00 2.03 2.15 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 2.33 2.32 0.00 52 V 7.26 3.61 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.45 0.00 0.00 53 L 7.52 4.36 0.00 1.66 1.61 0.83 0.63 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 54 G 7.73 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 0.00 0.00 0.00 55 I 7.37 3.93 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.75 0.91 0.00 0.00