NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1128 8.2649 123.5665 52.0732 19.9127 176.6364 2 C 4.6384 7.9278 117.4745 55.3040 39.1550 171.3890 3 Y 4.9063 9.5584 120.4581 56.6164 42.9880 172.9764 4 C 5.5980 8.7318 118.3492 55.8556 41.1557 173.6452 5 R 5.2583 9.4226 121.2677 54.7698 34.5788 173.9505 6 I 4.8017 8.7191 123.1647 59.0106 39.2440 173.7377 7 P 4.6075 0.0000 0.0000 62.4188 31.9363 173.9055 8 A 4.5138 7.2657 120.3541 51.7453 21.8874 176.3166 9 C 4.6539 8.5098 117.1288 56.6627 40.8652 173.7535 10 I 4.2706 8.2067 114.7689 59.0401 38.8309 175.1596 11 A 4.1373 8.2768 123.7666 54.1467 18.4649 177.5185 12 G 4.0523 9.0422 109.7721 45.2595 0.0000 173.6588 13 E 4.6740 7.9006 118.3330 55.2875 31.2461 175.3244 14 R 4.7136 8.7485 118.5385 54.3602 34.2549 175.0912 15 R 4.6432 8.5909 123.3331 56.5569 30.0000 175.4286 16 Y 4.3250 9.3725 124.9158 58.3410 39.0554 177.1506 17 G 4.2558 7.4554 107.3172 46.3449 0.0000 171.5236 18 T 5.3173 8.6144 118.1122 62.1196 72.5455 174.2217 19 C 4.9938 9.4860 122.5231 55.4513 43.1359 172.8392 20 I 5.0518 8.3443 123.3568 59.9592 38.7374 175.0418 21 Y 4.5798 9.2116 129.1089 57.3359 41.1189 174.6783 22 Q 2.9617 9.4642 128.3304 57.1026 26.1813 174.8681 23 G 3.8871 8.5440 102.2447 45.5722 0.0000 173.1307 24 A 4.7780 8.0465 121.6683 49.9865 22.2184 175.0410 25 L 5.3733 8.1030 118.9737 53.3257 43.4431 176.3710 26 W 5.2465 9.3415 121.7109 54.6066 34.1570 174.2823 27 A 4.6008 9.2451 124.8081 51.9650 19.4677 176.4049 28 F 5.2471 9.3974 126.0506 57.4095 40.9822 173.8167 29 C 5.5146 9.1004 124.2118 55.3108 42.7870 173.7780 30 C 4.5492 9.1174 119.8438 57.1333 42.0513 173.9530 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 A 8.26 4.11 1.05 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 0.00 0.00 2 C 7.93 4.64 0.00 2.70 2.29 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.56 4.91 0.00 2.80 2.76 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 4 C 8.73 5.60 0.00 2.33 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 5 R 9.42 5.26 0.00 1.91 1.97 0.00 3.13 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 6 I 8.72 4.80 1.53 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.15 0.71 0.00 0.00 7 P 0.00 4.61 0.00 2.14 2.09 0.00 3.81 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 1.89 1.91 0.00 8 A 7.27 4.51 1.25 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 0.00 0.00 0.00 9 C 8.51 4.65 0.00 3.01 3.21 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 10 I 8.21 4.27 1.87 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 1.34 1.06 0.91 0.00 0.00 11 A 8.28 4.14 1.27 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 12 G 9.04 4.05 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 0.00 0.00 0.00 13 E 7.90 4.67 0.00 2.15 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 2.35 2.31 0.00 14 R 8.75 4.71 0.00 1.72 1.56 0.00 3.25 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 15 R 8.59 4.64 0.00 1.86 1.86 0.00 3.29 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 16 Y 9.37 4.33 0.00 2.86 3.22 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 0.00 17 G 7.46 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 18 T 8.61 5.32 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 19 C 9.49 4.99 0.00 3.01 2.99 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 0.00 0.00 0.00 20 I 8.34 5.05 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.65 0.99 0.00 0.00 21 Y 9.21 4.58 0.00 2.77 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.46 2.96 0.00 1.39 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.79 0.00 0.00 0.00 0.00 0.00 1.24 1.39 0.00 23 G 8.54 3.89 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 0.00 0.00 0.00 24 A 8.05 4.78 1.05 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 0.00 0.00 25 L 8.10 5.37 0.00 1.50 1.64 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 26 W 9.34 5.25 0.00 3.30 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.25 4.60 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.40 5.25 0.00 3.13 3.18 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 0.00 0.00 0.00 0.00 29 C 9.10 5.51 0.00 2.96 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 30 C 9.12 4.55 0.00 2.24 2.49 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