NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6029 8.2785 118.2048 52.2288 39.0839 174.7580 4 A 3.7282 8.6430 122.0191 54.7679 18.1257 176.7368 5 E 3.7909 8.4719 119.1588 59.3611 30.1862 177.1112 6 A 3.6886 8.0547 120.6912 55.1655 18.4281 179.7078 7 S 3.8515 7.9253 113.7062 61.6532 62.8997 176.9684 8 R 3.8323 7.9294 121.2686 59.4070 29.7456 178.7270 9 V 3.6168 8.0637 118.4199 66.2958 31.5308 177.6038 10 Y 4.2817 8.1363 116.6300 61.0991 37.6425 178.2245 11 E 3.8601 8.3280 120.3447 59.1291 29.6542 178.9506 12 I 3.6825 7.8842 119.8843 64.3643 37.1114 178.3639 13 I 3.7224 7.9799 120.8268 64.3874 37.0022 178.6255 14 V 2.9062 7.5308 118.7690 65.9361 31.3543 177.8794 15 E 3.9552 8.1315 118.2566 59.5860 29.2907 179.6686 16 S 4.1692 8.5025 115.6426 61.3145 62.8642 176.9237 17 V 3.6325 8.2322 121.3371 66.0422 31.3287 178.0431 18 V 3.5579 7.9483 117.9600 66.4347 31.1057 177.8130 19 N 4.3503 7.9095 114.4308 56.0957 38.4468 176.9467 20 E 4.2283 8.2372 118.9703 58.1844 29.9239 178.4010 21 V 4.2910 7.5308 111.4528 61.3600 31.7855 177.7292 22 R 3.8466 7.3776 119.2337 59.2074 29.8679 178.2090 23 E 3.9788 8.1224 118.9927 59.2866 29.6240 178.3403 24 D 4.4543 8.1444 118.5918 57.1427 40.9011 178.5874 25 F 3.9944 8.6171 118.4799 60.7043 38.9387 177.6350 26 E 4.0477 8.6392 118.3633 59.4298 29.0322 179.1340 27 N 4.5107 8.3214 115.4793 55.3608 38.6226 176.1682 28 A 4.5511 7.5280 119.9715 50.4917 19.6096 176.6756 29 G 3.9666 8.3538 105.8680 46.5193 0.0000 176.0795 30 I 3.6435 7.7190 120.5476 62.8211 37.7498 174.4738 31 D 4.9245 7.9544 118.9304 52.8414 43.0535 177.4178 32 E 3.9985 8.6011 128.0121 59.4086 29.8853 178.7013 33 Q 4.0615 8.1419 119.1011 59.1674 29.1641 178.1315 34 T 4.0312 7.9023 116.8367 66.3524 68.5518 176.5161 35 L 3.8212 7.9154 122.0433 58.2321 42.0350 179.1212 36 Q 4.0592 8.1779 118.0042 58.7913 28.5028 178.4013 37 D 4.3888 7.9773 119.8784 56.9969 40.8084 178.3121 38 L 3.9854 8.0770 120.9017 58.1142 42.1635 178.6996 39 K 4.0566 7.9981 119.3680 60.0598 32.1085 178.4129 40 N 4.4330 8.2776 116.4470 56.2609 38.3568 177.6474 41 I 3.8020 8.1598 121.5842 63.8937 37.2147 178.1023 42 W 4.3584 8.4726 129.3097 60.9436 30.5406 178.0647 43 Q 3.8767 8.2658 117.8193 58.5756 27.9701 178.9092 44 K 3.9285 8.1848 120.6707 59.6483 32.1493 179.2145 45 K 4.0147 8.2617 117.4478 59.0520 31.9357 178.9153 46 L 4.1574 7.7744 120.3907 58.4130 42.1005 178.7399 47 T 4.0439 7.8622 114.8406 66.4853 68.4646 174.7638 48 E 4.2861 8.3283 124.1862 56.7099 29.6451 176.7010 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 3 N 8.28 4.60 0.00 2.92 2.98 0.00 0.00 5.96 6.11 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 4 A 8.64 3.73 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.47 3.79 0.00 2.00 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 2.33 2.34 0.00 6 A 8.05 3.69 1.08 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 0.00 0.00 0.00 0.00 0.00 7 S 7.93 3.85 0.00 3.80 3.86 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.93 3.83 0.00 1.99 2.12 0.00 3.12 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 9 V 8.06 3.62 2.15 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 1.18 0.00 0.00 0.94 0.00 0.00 10 Y 8.14 4.28 0.00 3.07 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.33 3.86 0.00 2.16 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 0.00 2.27 2.35 0.00 12 I 7.88 3.68 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 0.92 0.00 0.00 13 I 7.98 3.72 2.01 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.90 1.09 0.00 0.00 14 V 7.53 2.91 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 -0.36 0.00 0.00 15 E 8.13 3.96 0.00 1.99 1.96 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 2.54 2.46 0.00 16 S 8.50 4.17 0.00 3.94 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 17 V 8.23 3.63 2.56 0.00 0.00 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 1.19 0.00 0.00 18 V 7.95 3.56 2.15 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 0.91 0.00 0.00 1.08 0.00 0.00 19 N 7.91 4.35 0.00 2.77 2.86 0.00 0.00 7.15 7.59 0.00 0.00 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 E 8.24 4.23 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 21 V 7.53 4.29 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 0.94 0.00 0.00 0.90 0.00 0.00 22 R 7.38 3.85 0.00 1.88 1.90 0.00 3.07 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 23 E 8.12 3.98 0.00 2.10 1.96 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 2.40 2.42 0.00 24 D 8.14 4.45 0.00 2.86 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 25 F 8.62 3.99 0.00 3.34 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 26 E 8.64 4.05 0.00 2.06 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 2.40 2.77 0.00 27 N 8.32 4.51 0.00 2.89 2.89 0.00 0.00 6.92 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.53 4.55 1.20 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 0.00 0.00 29 G 8.35 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.72 3.64 1.99 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.20 0.92 0.00 0.00 31 D 7.95 4.92 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.60 4.00 0.00 2.13 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 2.38 2.42 0.00 33 Q 8.14 4.06 0.00 2.22 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 34 T 7.90 4.03 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 35 L 7.92 3.82 0.00 1.22 1.69 0.12 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.18 4.06 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 37 D 7.98 4.39 0.00 3.06 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 38 L 8.08 3.99 0.00 1.91 1.95 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.00 4.06 0.00 1.94 2.03 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.49 7.81 40 N 8.28 4.43 0.00 2.83 2.87 0.00 0.00 7.10 7.61 0.00 0.00 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 I 8.16 3.80 1.95 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 1.45 0.92 0.96 0.00 0.00 42 W 8.47 4.36 0.00 3.45 3.35 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 43 Q 8.27 3.88 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.59 0.00 0.00 0.00 0.00 0.00 2.10 2.37 0.00 44 K 8.18 3.93 0.00 1.90 2.11 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.50 7.81 45 K 8.26 4.01 0.00 1.85 1.93 0.00 1.81 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.57 7.81 46 L 7.77 4.16 0.00 1.78 1.88 0.80 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.86 4.04 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 48 E 8.33 4.29 0.00 2.12 1.89 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 2.36 2.35 0.00