NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3067 8.3049 120.3378 55.0928 33.3347 174.6294 2 K 3.9909 8.2840 126.0060 56.0203 33.0916 175.0941 3 G 3.9169 9.1389 110.5816 45.5106 0.0000 172.8547 4 M 4.1225 7.9138 119.3332 56.2241 30.7769 175.3228 5 S 5.8133 7.8410 132.1000 59.0369 62.6197 177.9863 6 K 4.2784 7.6049 118.2667 57.9409 32.8270 177.3700 7 M 4.0911 7.9154 118.2340 54.6639 32.2063 174.4477 8 P 4.3595 0.0000 0.0000 62.6456 32.1502 176.1356 9 Q 4.1768 8.5362 121.5998 55.5635 29.4106 175.1463 10 F 4.5389 8.5621 124.3314 56.1078 41.1015 174.3650 11 N 4.3326 7.6980 126.9244 52.7879 38.2584 173.7771 12 L 4.4984 7.9202 125.6264 53.2418 43.4396 177.2086 13 R 4.3527 8.1494 120.0511 54.7494 32.4144 174.2642 14 W 5.2751 8.3779 121.8260 53.1341 33.1997 174.1262 15 P 4.4698 0.0000 0.0000 62.6121 32.4016 176.7418 16 R 3.8730 8.7792 121.6996 59.8981 29.9418 177.8018 17 E 3.9130 8.3605 118.2596 59.6636 29.4669 179.0401 18 V 3.6055 7.7747 117.2595 65.9652 31.6647 177.6728 19 L 4.1884 8.0736 118.7780 58.1230 41.4484 179.3246 20 D 4.3720 8.5999 119.1760 57.1268 40.6449 178.5568 21 L 3.9388 7.9298 120.8024 58.1656 42.1383 179.1029 22 V 3.6281 7.9255 118.0980 66.2403 31.4805 178.0815 23 R 3.9653 8.1550 117.7825 59.2076 29.8073 179.0391 24 K 3.9749 8.2121 119.4806 59.5031 32.2106 179.1841 25 V 3.5823 8.1781 118.6545 65.6686 31.4397 177.9096 26 A 4.7780 8.5840 122.3204 54.6511 18.1369 179.0175 27 E 3.8884 8.2262 118.0650 59.6183 29.5198 179.0445 28 E 4.0500 8.2616 116.0917 59.0088 29.7844 177.8034 29 N 4.7105 8.1384 115.1165 52.7572 38.8918 175.5233 30 G 3.8983 7.9457 108.7921 45.9271 0.0000 173.3702 31 R 4.7300 7.8666 114.5496 52.8277 32.8312 175.4521 32 S 4.3880 8.2445 113.1433 57.9289 65.1491 175.1871 33 V 3.5532 8.3025 122.3726 66.2104 31.2632 177.5954 34 N 4.2321 8.1981 116.2475 57.1824 38.6640 176.7623 35 S 4.3027 7.8098 115.0512 60.9063 62.9322 176.3607 36 E 3.9479 8.3869 122.6128 59.3518 29.4834 178.8704 37 I 3.7486 8.1073 120.1767 64.4863 37.1058 177.5566 38 Y 3.9981 7.9672 120.3061 60.8414 38.5872 178.0159 39 Q 3.9307 8.5649 120.5565 59.4357 29.1768 178.6181 40 R 3.8917 7.9180 118.9278 59.2079 30.0157 179.3479 41 V 3.3340 7.7261 117.9520 66.1752 31.4413 177.9715 42 M 3.7386 7.7886 118.6620 58.0753 31.5631 178.4061 43 E 3.8983 8.0795 119.6903 59.3695 29.8940 179.0688 44 S 4.1477 7.9535 114.2732 61.4340 62.8744 176.3777 45 F 4.3848 8.4659 121.5496 60.2875 38.6028 177.4156 46 K 4.0896 8.4905 119.5415 59.6830 31.7856 178.9400 47 K 3.9981 8.2161 117.7125 59.1643 32.0388 178.2354 48 E 4.3874 8.1282 116.1463 55.4833 29.6690 176.6158 49 G 3.9290 8.0263 107.3143 46.7635 0.0000 175.4190 50 R 4.0800 8.1572 120.6286 56.7280 30.6242 176.6448 51 I 4.6470 7.4949 115.9303 58.8477 41.3160 175.0117 52 G 3.7558 8.5584 111.8592 45.6772 0.0000 173.2144 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 M 8.30 4.31 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 2 K 8.28 3.99 0.00 1.83 1.71 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.42 7.81 3 G 9.14 3.92 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 0.00 0.00 0.00 4 M 7.91 4.12 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 5 S 7.84 5.81 0.00 3.92 3.88 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 6 K 7.60 4.28 0.00 1.78 1.83 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.53 7.81 7 M 7.92 4.09 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 8 P 0.00 4.36 0.00 2.08 2.02 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 9 Q 8.54 4.18 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 10 F 8.56 4.54 0.00 2.98 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 11 N 7.70 4.33 0.00 2.47 2.37 0.00 0.00 7.13 7.78 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 12 L 7.92 4.50 0.00 1.22 0.75 0.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.15 4.35 0.00 1.78 1.84 0.00 3.13 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 14 W 8.38 5.28 0.00 3.34 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 15 P 0.00 4.47 0.00 2.29 2.21 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 16 R 8.78 3.87 0.00 1.93 2.03 0.00 3.23 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 17 E 8.36 3.91 0.00 2.08 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 2.41 0.00 18 V 7.77 3.61 2.27 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 0.95 0.00 0.00 0.86 0.00 0.00 19 L 8.07 4.19 0.00 1.99 1.77 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.60 4.37 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 3.94 0.00 2.01 1.77 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.93 3.63 2.35 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 1.07 0.00 0.00 1.16 0.00 0.00 23 R 8.16 3.97 0.00 2.11 1.99 0.00 3.19 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 24 K 8.21 3.97 0.00 1.83 1.95 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 25 V 8.18 3.58 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 0.98 0.00 0.00 26 A 8.58 4.78 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.23 3.89 0.00 2.09 2.27 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 2.32 2.33 0.00 28 E 8.26 4.05 0.00 2.16 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 2.47 2.47 0.00 29 N 8.14 4.71 0.00 2.94 2.91 0.00 0.00 7.06 7.17 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 30 G 7.95 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 0.00 0.00 0.00 31 R 7.87 4.73 0.00 1.89 1.88 0.00 3.18 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 32 S 8.24 4.39 0.00 4.06 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 33 V 8.30 3.55 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 1.11 0.00 0.00 0.94 0.00 0.00 34 N 8.20 4.23 0.00 2.84 2.78 0.00 0.00 7.23 7.48 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 35 S 7.81 4.30 0.00 4.05 3.91 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 E 8.39 3.95 0.00 2.21 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 2.34 2.44 0.00 37 I 8.11 3.75 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.96 1.03 0.00 0.00 38 Y 7.97 4.00 0.00 3.24 3.09 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 39 Q 8.56 3.93 0.00 2.33 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 40 R 7.92 3.89 0.00 2.04 1.94 0.00 3.22 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 41 V 7.73 3.33 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 0.38 0.00 0.00 0.85 0.00 0.00 42 M 7.79 3.74 0.00 1.94 1.84 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.05 0.00 43 E 8.08 3.90 0.00 2.27 1.94 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 2.29 2.45 0.00 44 S 7.95 4.15 0.00 4.17 4.11 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 0.00 0.00 0.00 0.00 45 F 8.47 4.38 0.00 3.27 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 46 K 8.49 4.09 0.00 1.92 2.03 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 47 K 8.22 4.00 0.00 1.93 1.87 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.32 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.69 1.64 7.81 48 E 8.13 4.39 0.00 1.93 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 2.33 2.58 0.00 49 G 8.03 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.16 4.08 0.00 1.49 1.59 0.00 2.21 0.00 0.00 2.47 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.37 0.00 51 I 7.49 4.65 1.99 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.80 1.00 0.00 0.00 52 G 8.56 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00