NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4525 8.1927 115.4142 57.6207 64.7076 174.1949 3 K 3.8675 8.5167 122.2575 59.2749 31.9034 177.7006 4 G 3.7347 7.9147 106.6619 47.5698 0.0000 174.8109 5 E 4.2865 8.1086 121.0014 58.9081 29.4171 178.4980 6 E 4.0342 7.9569 117.3911 58.8490 29.5381 178.5642 7 L 4.1156 7.8835 117.8141 56.1394 40.2723 177.4551 8 F 4.7785 8.2279 117.4728 57.2417 39.6726 176.9802 9 T 3.8917 8.0920 111.4488 63.0704 69.2010 173.8289 10 G 4.3613 7.0554 109.8475 43.6980 0.0000 171.5838 11 V 4.1182 8.3319 119.4996 62.6336 32.4105 176.6389 12 V 4.5186 8.7327 128.1882 60.1744 33.9599 173.0703 13 P 4.8718 0.0000 0.0000 62.9650 32.4576 175.6095 14 I 4.7319 8.8459 122.0569 59.5768 40.9002 174.3981 15 L 5.3000 8.6099 124.9668 52.9303 45.1337 176.0147 16 V 4.6008 8.8924 122.0814 61.2309 34.9493 174.0360 17 E 5.2190 8.9196 125.9577 54.6044 33.0277 174.5760 18 L 4.8141 9.2207 126.3554 53.2362 45.5851 174.5486 19 D 5.1400 8.7667 125.0863 52.4370 43.2712 175.6472 20 G 3.4478 8.4253 109.7757 44.2376 0.0000 171.5127 21 D 5.0194 8.3565 120.5931 52.9675 43.7842 174.7311 22 V 4.2962 9.0028 127.1496 61.8861 33.0067 175.1572 23 N 4.2549 10.0241 125.8826 54.3176 36.0708 175.6340 24 G 3.8374 8.5311 105.7426 45.6618 0.0000 174.2435 25 H 4.4720 8.2590 118.1393 55.2433 28.1585 174.3232 26 K 5.0521 8.4196 124.5713 55.6495 33.4296 176.2864 27 F 5.0270 8.3669 117.1708 56.9631 41.7775 172.9640 28 S 5.1885 8.6919 114.4621 56.8360 67.2980 173.2061 29 V 5.1898 8.8909 121.9996 61.3875 34.9214 174.2808 30 S 5.3634 9.3717 123.2018 56.8064 66.0284 173.3880 31 G 4.4944 9.6009 110.5780 44.6263 0.0000 171.2685 32 E 5.0751 8.7922 119.6292 54.1112 34.2062 175.8939 33 G 4.1500 8.0437 109.2450 46.2548 0.0000 171.4454 34 E 5.1424 8.1648 119.1114 55.2945 33.5115 174.9646 35 G 4.5227 9.1735 107.2284 44.8707 0.0000 171.3677 36 D 5.0737 9.4341 121.3659 51.9461 42.0250 175.6158 37 A 4.1104 8.6524 127.4533 54.5960 19.0611 180.0188 38 T 3.6591 7.9753 111.9011 66.2804 68.4027 174.3739 39 Y 4.5438 7.8109 115.6768 56.8005 38.5411 175.7426 40 G 3.9841 7.9726 107.3839 46.2552 0.0000 173.1685 41 K 4.6871 8.0239 120.1913 54.1840 34.6175 174.6381 42 L 5.4212 8.6108 126.4718 53.0792 45.2152 175.8355 43 T 4.6698 8.8013 113.1112 59.9189 71.4246 172.9156 44 L 5.0298 8.4284 124.7474 52.6671 46.2634 175.3949 45 K 4.3464 8.5525 123.1618 54.4874 35.1038 174.7144 46 F 5.5820 8.5716 124.9684 55.7660 42.0985 174.6774 47 I 4.7373 8.9389 122.8590 59.5595 40.7562 174.3142 48 C 5.0691 9.3247 127.6865 59.5291 31.4049 173.1315 49 T 4.4964 8.9169 117.3170 62.7593 68.6448 175.5392 50 T 4.4983 9.2278 111.9761 61.4158 71.0134 172.1014 51 G 4.2075 7.4605 110.9094 44.4184 0.0000 176.4246 52 K 4.2287 8.4753 126.7803 54.7241 32.7696 175.6017 53 L 3.6686 8.1593 128.1927 54.3352 42.2940 174.7180 54 P 4.3597 0.0000 0.0000 63.0914 31.7974 175.8288 55 V 4.3526 6.4322 110.8911 58.6799 35.7704 173.3319 56 P 4.3107 0.0000 0.0000 62.0974 32.1125 177.6094 57 W 4.2436 8.9659 122.6821 59.8633 28.8465 177.0365 58 P 4.3598 0.0000 0.0000 65.6255 30.5367 178.2781 59 T 4.0974 7.8974 107.1226 63.3765 69.0443 175.5304 60 L 4.4754 7.8460 121.1796 54.7211 42.2181 178.2441 61 V 3.5621 7.5656 119.9460 66.3559 31.2940 177.9951 62 T 3.9331 7.8245 107.3242 64.7039 68.7255 176.1896 63 T 4.1123 7.7673 117.7089 66.0766 68.9058 176.1031 64 L 4.4585 8.0850 119.0952 55.4352 42.1064 177.0439 65 G 3.9369 8.1456 112.4255 45.5989 0.0000 173.4227 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 S 8.19 4.45 0.00 4.03 4.07 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 3 K 8.52 3.87 0.00 1.94 1.87 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.58 7.81 4 G 7.91 3.73 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 0.00 0.00 0.00 5 E 8.11 4.29 0.00 2.05 2.20 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 2.34 2.42 0.00 6 E 7.96 4.03 0.00 2.14 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 2.37 2.51 0.00 7 L 7.88 4.12 0.00 1.56 1.30 0.90 0.72 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 8 F 8.23 4.78 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.09 3.89 4.25 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 1.23 0.00 0.00 10 G 7.06 4.36 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 0.00 11 V 8.33 4.12 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 0.85 0.00 0.00 1.02 0.00 0.00 12 V 8.73 4.52 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 0.92 0.00 0.00 0.81 0.00 0.00 13 P 0.00 4.87 0.00 2.10 2.02 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 14 I 8.85 4.73 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.92 0.96 0.00 0.00 15 L 8.61 5.30 0.00 1.50 1.55 0.93 0.83 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 16 V 8.89 4.60 2.37 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 1.04 0.00 0.00 1.15 0.00 0.00 17 E 8.92 5.22 0.00 1.86 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 2.24 2.25 0.00 18 L 9.22 4.81 0.00 1.69 1.50 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.77 5.14 0.00 2.47 2.41 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 20 G 8.43 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.36 5.02 0.00 2.58 2.48 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 22 V 9.00 4.30 2.20 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 1.06 0.00 0.00 1.10 0.00 0.00 23 N 10.02 4.25 0.00 2.92 2.88 0.00 0.00 7.30 7.65 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 24 G 8.53 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 0.00 0.00 0.00 25 H 8.26 4.47 0.00 3.35 3.31 0.00 5.61 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 26 K 8.42 5.05 0.00 1.66 1.71 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.61 7.81 27 F 8.37 5.03 0.00 2.99 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 28 S 8.69 5.19 0.00 3.78 3.75 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 29 V 8.89 5.19 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 1.52 0.00 0.00 1.11 0.00 0.00 30 S 9.37 5.36 0.00 3.87 3.82 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 0.00 0.00 0.00 31 G 9.60 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.79 5.08 0.00 1.80 1.72 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 2.19 2.21 0.00 33 G 8.04 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 34 E 8.16 5.14 0.00 2.12 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 2.18 2.27 0.00 35 G 9.17 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.43 5.07 0.00 2.74 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.65 4.11 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 38 T 7.98 3.66 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 39 Y 7.81 4.54 0.00 3.02 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 40 G 7.97 3.98 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 0.00 0.00 0.00 41 K 8.02 4.69 0.00 1.93 1.76 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.46 7.81 42 L 8.61 5.42 0.00 1.56 1.56 0.97 0.89 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 43 T 8.80 4.67 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 1.20 0.00 0.00 44 L 8.43 5.03 0.00 1.30 0.69 1.10 0.80 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 45 K 8.55 4.35 0.00 1.62 1.43 0.00 1.49 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.24 7.81 46 F 8.57 5.58 0.00 2.65 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 47 I 8.94 4.74 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 1.14 1.05 1.01 0.00 0.00 48 C 9.32 5.07 0.00 3.12 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.92 4.50 4.30 0.00 0.00 0.00 0.00 0.00 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 50 T 9.23 4.50 4.30 0.00 0.00 0.00 0.00 0.00 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 51 G 7.46 4.21 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 0.00 0.00 0.00 52 K 8.48 4.23 0.00 1.72 1.68 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.39 7.81 53 L 8.16 3.67 0.00 1.03 0.93 0.13 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.36 0.00 1.94 1.94 0.00 2.52 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.78 0.00 55 V 6.43 4.35 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 0.60 0.00 0.00 0.53 0.00 0.00 56 P 0.00 4.31 0.00 2.15 1.95 0.00 3.52 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 57 W 8.97 4.24 0.00 3.37 3.20 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 58 P 0.00 4.36 0.00 2.19 2.15 0.00 3.60 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 59 T 7.90 4.10 4.22 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 1.18 0.00 0.00 60 L 7.85 4.48 0.00 1.85 1.69 0.73 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.57 3.56 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 1.16 0.00 0.00 1.01 0.00 0.00 62 T 7.82 3.93 4.25 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 1.22 0.00 0.00 63 T 7.77 4.11 4.36 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 1.21 0.00 0.00 64 L 8.09 4.46 0.00 1.22 1.00 0.51 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.15 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 0.00 0.00 0.00