NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.9978 8.3493 120.4988 54.7268 42.9894 172.4877 2 C 4.8288 8.9046 113.8313 53.6051 44.9300 171.2278 3 L 4.1310 7.7683 119.1702 52.6030 43.5611 178.1862 4 S 4.1986 8.4243 117.1525 58.7728 62.7374 174.4361 5 G 4.0360 8.5317 111.9856 45.2928 0.0000 173.7116 6 R 4.4466 7.7885 117.8776 56.3140 32.2684 175.1245 7 Y 4.2913 7.7698 118.3593 57.2333 39.7078 173.6229 8 K 4.5587 7.3464 123.3204 56.2474 35.0561 173.7924 9 G 3.7325 8.8050 109.7822 43.0935 0.0000 171.1788 10 P 4.8370 0.0000 0.0000 62.7128 32.9973 176.7013 11 C 5.1409 9.2113 118.8911 54.1152 42.6229 172.0291 12 A 4.6119 8.6205 130.8506 49.6367 21.4499 176.6024 13 V 3.6235 7.7976 108.7675 63.7122 31.5995 177.1660 14 W 4.8180 6.8652 114.4178 56.3087 28.4838 176.4556 15 D 5.3294 8.5209 120.3356 53.1511 41.7438 177.3443 16 N 4.2103 8.1454 118.2810 56.2575 37.0235 176.1946 17 E 3.9001 8.4451 122.5210 58.9306 29.5561 178.6659 18 T 3.9553 8.1410 115.0950 67.0753 68.5705 176.3750 19 C 4.2065 8.3764 119.8372 59.9073 40.6636 175.4867 20 R 4.0395 8.0605 121.2544 58.8979 29.6961 179.1037 21 R 3.8726 8.4449 117.5998 59.3913 30.2208 179.1839 22 V 3.6262 8.2773 118.4083 66.3941 31.5031 177.2736 23 C 4.3659 8.8919 118.4368 59.1462 38.7265 175.5465 24 K 3.8965 8.0131 121.5479 59.5292 31.6238 178.1582 25 E 3.8971 8.4920 117.7801 59.8990 29.5392 178.5507 26 E 4.1183 8.0220 118.0386 59.4156 29.7775 177.6113 27 G 4.2584 7.5623 107.2430 46.0417 0.0000 173.5817 28 R 4.5990 8.0360 121.8317 55.0273 32.5220 176.1292 29 S 4.2652 9.1243 114.6994 60.8009 62.2694 175.3125 30 S 4.5767 7.6664 111.9035 58.0520 65.4810 174.5534 31 G 4.2697 8.7589 109.7079 45.1329 0.0000 172.8421 32 H 5.0408 9.2002 120.0428 53.8051 32.2037 172.5739 33 C 4.9848 8.7717 122.0665 55.9904 39.6253 172.2772 34 S 5.0367 8.8718 118.3625 55.6117 64.2181 173.3338 35 P 4.3596 0.0000 0.0000 65.0810 31.0444 176.7282 36 S 4.6636 8.2475 115.8352 59.8856 63.9433 174.0896 37 L 4.3332 7.2747 115.3232 55.0396 39.7229 173.6287 38 K 4.8427 7.4373 118.8249 54.6691 37.1195 175.9086 39 C 5.0065 8.3725 123.4152 54.7519 43.4717 172.6767 40 W 5.0279 9.1922 126.9533 55.4352 31.6379 174.5225 41 C 5.3120 9.4735 122.3083 54.8680 44.2865 172.0491 42 E 5.0483 9.2789 127.5366 54.8498 31.5533 176.1789 43 G 4.4970 9.3964 117.2211 46.6177 0.0000 172.9669 44 C 4.5138 8.1538 122.9936 56.4886 45.0458 173.0276 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 D 8.35 5.00 0.00 2.69 3.02 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 2 C 8.90 4.83 0.00 2.95 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.77 4.13 0.00 1.19 1.20 0.53 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.42 4.20 0.00 3.87 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 5 G 8.53 4.04 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 0.00 0.00 0.00 6 R 7.79 4.45 0.00 1.76 1.95 0.00 3.25 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 7 Y 7.77 4.29 0.00 3.03 2.72 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 0.00 0.00 0.00 8 K 7.35 4.56 0.00 1.69 1.51 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.44 7.81 9 G 8.80 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 10 P 0.00 4.84 0.00 2.20 2.16 0.00 3.83 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 2.14 2.06 0.00 11 C 9.21 5.14 0.00 2.84 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.62 4.61 -0.19 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 0.00 0.00 13 V 7.80 3.62 2.04 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 0.58 0.00 0.00 0.84 0.00 0.00 14 W 6.87 4.82 0.00 3.34 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.52 5.33 0.00 2.80 2.95 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 0.00 0.00 0.00 16 N 8.15 4.21 0.00 2.95 3.04 0.00 0.00 5.76 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 17 E 8.45 3.90 0.00 2.08 2.06 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 2.35 2.40 0.00 18 T 8.14 3.96 4.71 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 1.36 0.00 0.00 19 C 8.38 4.21 0.00 3.07 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 20 R 8.06 4.04 0.00 2.00 2.01 0.00 3.18 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 21 R 8.44 3.87 0.00 1.98 2.00 0.00 3.17 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 22 V 8.28 3.63 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 1.18 0.00 0.00 1.16 0.00 0.00 23 C 8.89 4.37 0.00 3.06 3.23 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 0.00 24 K 8.01 3.90 0.00 2.11 1.94 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.49 7.81 25 E 8.49 3.90 0.00 2.16 2.05 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 2.38 2.51 0.00 26 E 8.02 4.12 0.00 2.15 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 2.35 2.51 0.00 27 G 7.56 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 0.00 0.00 0.00 0.00 28 R 8.04 4.60 0.00 1.82 2.13 0.00 3.33 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 29 S 9.12 4.27 0.00 3.87 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 30 S 7.67 4.58 0.00 3.91 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 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 0.00 0.00 0.00 0.00 32 H 9.20 5.04 0.00 3.06 3.13 0.00 5.80 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 33 C 8.77 4.98 0.00 2.92 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 34 S 8.87 5.04 0.00 4.05 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 35 P 0.00 4.36 0.00 2.19 2.14 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 36 S 8.25 4.66 0.00 3.89 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 37 L 7.27 4.33 0.00 1.72 1.74 0.85 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.44 4.84 0.00 2.08 1.75 0.00 1.52 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.30 7.81 39 C 8.37 5.01 0.00 1.84 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 0.00 0.00 0.00 0.00 40 W 9.19 5.03 0.00 3.40 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 41 C 9.47 5.31 0.00 2.93 2.93 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 42 E 9.28 5.05 0.00 2.02 2.04 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 2.22 2.32 0.00 43 G 9.40 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 C 8.15 4.51 0.00 2.93 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00