NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7324 8.4544 118.1170 57.2062 42.7523 172.3208 2 V 4.0340 7.8141 119.4493 62.3854 33.5253 176.1671 3 R 4.4916 8.2918 122.3838 55.6445 32.1550 175.4804 4 L 4.0636 8.6368 120.7754 59.0721 42.7267 178.5733 5 H 4.9205 7.5863 111.1134 54.4939 28.9802 170.8129 6 E 4.7537 7.6592 123.4015 54.6162 33.6922 174.1853 7 S 4.7985 8.6299 117.5344 58.9767 63.2821 173.4411 8 C 4.4735 8.5810 117.8334 55.3264 43.0668 175.1343 9 L 3.4413 7.4715 112.6914 57.7349 37.8576 174.6874 10 G 5.0404 8.7885 127.0700 45.6300 0.0000 171.2760 11 Q 4.1048 8.2135 123.1704 56.6802 26.5600 174.3197 12 Q 4.3499 7.7583 112.9133 56.1548 28.8492 175.3966 13 V 4.2508 7.2799 120.2012 60.6437 30.6436 173.4182 14 P 4.5170 0.0000 0.0000 61.5235 32.6270 177.1077 15 C 4.5312 8.5165 119.1953 56.8553 43.9890 174.8315 16 C 4.2861 8.7356 125.6245 57.9411 44.8285 172.9264 17 D 4.9337 7.5287 119.4789 52.3769 41.8325 174.1732 18 P 4.3113 0.0000 0.0000 64.6112 31.4358 176.5293 19 C 3.9420 8.9564 119.1537 57.0136 42.2277 171.5709 20 A 5.1175 8.0033 119.4287 50.5358 20.3711 176.8908 21 T 4.6790 8.7963 116.0401 60.0298 71.5961 172.1225 22 C 4.8431 8.9863 127.6734 57.0417 45.2531 171.8007 23 Y 4.9464 9.5242 128.2764 56.0917 41.2541 173.3596 24 C 4.8917 7.2586 121.9728 55.1113 42.2567 174.9020 25 R 3.6158 8.4083 122.9807 58.2332 30.0867 176.3307 26 F 4.1868 7.0421 120.1436 57.1415 41.1373 172.6484 27 F 4.3720 7.0347 115.9413 60.2609 39.1230 176.2978 28 N 5.0021 7.9636 118.8568 51.6991 37.4599 172.5695 29 A 4.7236 7.3755 126.8878 54.0839 26.3000 177.3308 30 F 4.2180 8.0380 113.8513 56.2887 37.7428 176.6896 31 C 4.9801 7.6672 117.4121 55.6378 37.5466 173.9717 32 Y 5.4209 8.1292 121.7654 54.7563 41.7785 173.8939 33 C 4.6300 9.0144 120.4514 57.5341 45.7970 173.1201 34 R 4.6556 9.0047 124.5697 54.6549 32.8040 175.1756 35 K 4.3515 8.9311 124.9844 55.6715 32.1530 173.5752 36 L 3.4171 7.9394 125.7212 54.3614 40.6105 175.8745 37 G 3.9033 8.3957 117.3197 45.2344 0.0000 175.3526 38 T 4.2306 7.2867 110.7117 59.7158 67.9682 175.6353 39 A 4.0846 7.9066 130.9637 55.4312 19.1506 178.8450 40 M 4.2271 7.9623 114.8300 58.0370 33.0955 176.6176 41 N 5.0658 7.6880 114.0825 51.4988 40.4339 172.2902 42 P 5.1009 0.0000 0.0000 62.0702 34.2486 177.4496 43 C 4.9254 8.2562 123.0290 57.2973 38.4223 177.9799 44 S 4.4750 8.8007 124.5588 58.4621 60.5911 174.3231 45 R 4.5680 7.6256 129.5508 55.0283 30.2515 174.9478 46 T 4.1176 8.0803 118.5290 63.5552 68.5223 174.8285 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 C 8.45 4.73 0.00 2.98 3.39 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 2 V 7.81 4.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.02 0.00 0.00 3 R 8.29 4.49 0.00 1.77 1.91 0.00 3.48 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 4 L 8.64 4.06 0.00 1.50 1.51 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 5 H 7.59 4.92 0.00 3.05 3.17 0.00 5.54 0.00 0.00 0.00 0.00 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.66 4.75 0.00 1.99 1.81 0.00 0.00 0.00 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 2.31 0.00 7 S 8.63 4.80 0.00 3.91 3.78 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 0.00 0.00 0.00 0.00 8 C 8.58 4.47 0.00 3.22 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 9 L 7.47 3.44 0.00 1.85 2.10 0.92 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.79 5.04 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 11 Q 8.21 4.10 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.25 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 12 Q 7.76 4.35 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 13 V 7.28 4.25 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 0.83 0.00 0.00 0.94 0.00 0.00 14 P 0.00 4.52 0.00 2.28 2.18 0.00 3.76 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 2.08 1.96 0.00 15 C 8.52 4.53 0.00 3.02 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 16 C 8.74 4.29 0.00 3.26 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 17 D 7.53 4.93 0.00 2.95 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.17 2.08 0.00 3.90 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 19 C 8.96 3.94 0.00 3.12 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 20 A 8.00 5.12 1.23 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 0.00 0.00 21 T 8.80 4.68 4.28 0.00 0.00 0.00 0.00 0.00 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 22 C 8.99 4.84 0.00 3.08 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 23 Y 9.52 4.95 0.00 3.09 2.88 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 24 C 7.26 4.89 0.00 2.59 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.41 3.62 0.00 1.69 1.77 0.00 2.97 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 26 F 7.04 4.19 0.00 2.58 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 0.00 0.00 0.00 27 F 7.03 4.37 0.00 2.99 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 28 N 7.96 5.00 0.00 2.82 2.83 0.00 0.00 5.78 7.27 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 29 A 7.38 4.72 1.42 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 0.00 0.00 30 F 8.04 4.22 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 31 C 7.67 4.98 0.00 2.79 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 32 Y 8.13 5.42 0.00 3.01 3.06 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 33 C 9.01 4.63 0.00 3.07 3.13 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 0.00 0.00 0.00 34 R 9.00 4.66 0.00 2.08 2.00 0.00 3.12 0.00 0.00 2.91 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 35 K 8.93 4.35 0.00 1.78 1.80 0.00 1.93 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.45 7.81 36 L 7.94 3.42 0.00 1.76 1.68 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.40 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 38 T 7.29 4.23 4.23 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 1.19 0.00 0.00 39 A 7.91 4.08 1.29 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 0.00 0.00 40 M 7.96 4.23 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 41 N 7.69 5.07 0.00 2.70 2.68 0.00 0.00 7.08 8.40 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 42 P 0.00 5.10 0.00 2.17 2.12 0.00 3.36 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 43 C 8.26 4.93 0.00 2.98 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 0.00 0.00 0.00 0.00 44 S 8.80 4.47 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.63 4.57 0.00 1.71 1.82 0.00 3.38 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 46 T 8.08 4.12 4.23 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 1.21 0.00 0.00