NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4536 8.1476 120.3486 55.2202 33.6726 176.1440 2 K 3.9116 8.6374 126.5704 59.1726 32.8482 174.2086 3 V 3.5923 7.5772 119.4516 65.5258 32.0140 179.2164 4 K 3.9832 7.9964 118.1337 60.0322 32.4527 179.0533 5 Q 3.9791 7.7774 117.9727 58.5079 28.5648 178.2579 6 L 3.9052 7.9615 121.3921 58.2055 42.0895 179.1593 7 V 3.5711 7.9558 118.1948 66.1915 31.4587 177.6357 8 D 4.3459 8.2092 118.5170 57.4459 40.5902 179.0449 9 K 4.0260 8.0701 118.9404 59.3200 31.9140 179.6671 10 V 3.5727 8.0575 118.8478 65.7574 31.4518 177.6191 11 E 3.8764 8.3898 119.3287 59.2398 29.4476 178.4131 12 E 3.9062 8.2459 119.2124 59.1953 29.6828 178.4622 13 L 3.9578 8.1035 120.4240 58.2398 42.1249 178.9320 14 L 4.0961 8.2549 119.4083 57.7536 41.5873 179.5917 15 S 3.9956 8.1414 114.1868 61.6006 62.8287 176.8568 16 K 4.1237 8.2916 122.2678 59.0274 31.6935 179.1970 17 N 4.4210 8.7537 117.3495 56.1813 38.3908 177.0650 18 Y 3.7898 8.3625 118.5197 61.3695 37.9932 178.3604 19 H 4.3281 8.1359 116.9927 58.7117 28.7313 177.5790 20 L 3.9555 8.1262 122.1542 58.3568 42.0045 179.3293 21 V 3.5315 8.0540 118.3829 65.6742 31.3651 177.3337 22 N 4.2711 8.2776 117.0269 56.9655 38.7196 176.7644 23 E 4.0284 8.3288 119.7918 59.1564 29.4190 179.5220 24 V 3.5417 8.1173 118.4926 65.8400 31.6122 177.8652 25 A 3.9598 8.0591 120.5515 55.1329 18.1264 179.5488 26 R 3.8020 7.9605 117.1324 59.5049 30.1194 178.4355 27 L 3.9135 8.1452 120.3497 58.1718 41.9232 179.0815 28 V 3.5506 8.1046 118.4994 65.8336 31.2356 177.9162 29 K 3.9343 7.8426 118.2467 59.3263 32.3791 178.1458 30 L 4.0934 8.1106 120.7625 58.4567 41.8448 179.4942 31 V 3.8357 7.9337 110.9479 63.9405 31.5066 178.5080 32 G 3.7052 7.7666 104.8748 46.9253 0.0000 174.7646 33 E 4.4678 7.9559 119.1453 57.0562 30.3382 176.0084 34 R 4.1566 7.6601 122.7593 56.4509 30.5035 174.2051 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 8.15 4.45 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 2 K 8.64 3.91 0.00 2.10 2.05 0.00 1.56 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.55 7.81 3 V 7.58 3.59 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 1.15 0.00 0.00 0.93 0.00 0.00 4 K 8.00 3.98 0.00 2.02 2.05 0.00 1.56 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.53 7.81 5 Q 7.78 3.98 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 6 L 7.96 3.91 0.00 1.77 1.85 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.96 3.57 2.19 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 1.04 0.00 0.00 0.95 0.00 0.00 8 D 8.21 4.35 0.00 2.96 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 4.03 0.00 1.93 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.59 7.81 10 V 8.06 3.57 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 1.09 0.00 0.00 0.96 0.00 0.00 11 E 8.39 3.88 0.00 2.05 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 2.28 2.28 0.00 12 E 8.25 3.91 0.00 2.09 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 0.00 2.32 2.33 0.00 13 L 8.10 3.96 0.00 1.80 1.81 0.94 0.74 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 14 L 8.25 4.10 0.00 1.86 1.74 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.14 4.00 0.00 3.99 4.06 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 16 K 8.29 4.12 0.00 1.86 1.94 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.64 7.81 17 N 8.75 4.42 0.00 2.85 2.88 0.00 0.00 6.96 7.06 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 18 Y 8.36 3.79 0.00 3.19 2.96 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 19 H 8.14 4.33 0.00 3.42 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.13 3.96 0.00 1.78 1.85 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.05 3.53 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 0.84 0.00 0.00 0.87 0.00 0.00 22 N 8.28 4.27 0.00 2.84 3.03 0.00 0.00 7.18 7.26 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 23 E 8.33 4.03 0.00 2.18 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 2.53 2.47 0.00 24 V 8.12 3.54 2.18 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 1.09 0.00 0.00 0.95 0.00 0.00 25 A 8.06 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.96 3.80 0.00 1.91 2.13 0.00 3.27 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 27 L 8.15 3.91 0.00 1.84 1.81 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.10 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 0.93 0.00 0.00 0.93 0.00 0.00 29 K 7.84 3.93 0.00 1.91 1.97 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.44 7.81 30 L 8.11 4.09 0.00 1.94 1.83 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.93 3.84 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 0.79 0.00 0.00 1.00 0.00 0.00 32 G 7.77 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 33 E 7.96 4.47 0.00 2.09 2.01 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 2.27 2.43 0.00 34 R 7.66 4.16 0.00 1.76 1.78 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00