NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2439 8.4449 121.4708 55.9708 30.5856 174.7861 2 D 4.6649 8.1757 125.9439 51.2914 42.9068 174.2510 3 N 4.4937 7.9892 116.8086 52.4458 38.6207 171.8683 4 C 4.9147 8.3212 120.1885 54.4461 43.5572 174.5094 5 I 4.1853 7.9112 120.7280 59.7865 36.3498 175.8153 6 A 4.3957 8.4502 126.8054 52.1919 18.1265 176.6459 7 E 4.7466 7.8855 116.9989 55.8826 32.3923 175.6558 8 D 4.6793 8.2775 118.1253 53.5742 39.9196 176.8730 9 Y 4.8980 6.7631 116.9958 57.3851 39.3757 175.2170 10 G 3.9170 8.3594 107.0059 46.0638 0.0000 172.9647 11 K 5.0446 8.4028 119.5106 55.4038 33.5414 175.4970 12 C 5.0315 8.9303 118.7770 54.6113 45.6904 172.4759 13 T 4.7486 8.0056 112.6186 62.1239 72.6223 175.1096 14 W 4.7608 8.5728 123.7688 57.8788 28.1791 175.0728 15 G 4.2576 9.1139 114.6017 46.1816 0.0000 174.0676 16 G 3.9656 7.7879 110.3083 45.1925 0.0000 172.6655 17 T 4.1189 8.4712 117.6666 63.7630 69.9609 174.5367 18 K 4.5430 8.4437 124.1192 54.7764 35.9145 175.6774 19 C 4.6997 8.3245 118.1198 56.9382 40.9466 174.4287 20 C 3.9401 8.9620 124.5998 59.8839 40.1797 175.6547 21 R 4.3779 7.9640 118.6177 56.6299 30.4804 175.6410 22 G 3.7608 7.9594 100.1127 46.5341 0.0000 174.0012 23 R 4.6553 7.7056 117.4390 53.3810 32.5638 175.3638 24 P 4.6656 0.0000 0.0000 62.7452 33.4337 175.3166 25 C 5.4231 8.6056 115.7385 55.3000 41.2251 174.0013 26 R 5.0945 8.5354 121.6671 54.8719 33.2786 174.1546 27 C 4.2875 8.8875 123.0770 56.2277 39.9818 172.8990 28 S 4.1585 7.7309 116.6763 59.0662 63.0263 175.9434 29 M 3.9843 8.5989 119.2585 58.6738 31.9051 178.2302 30 I 3.8058 7.6432 118.0920 64.1309 38.6010 174.9927 31 G 3.6471 6.8552 111.8740 45.6397 0.0000 174.0864 32 T 4.2015 7.4434 109.3788 60.5999 70.9909 172.9510 33 N 3.9645 8.2460 118.2105 53.9889 34.7303 174.4661 34 C 4.5292 7.6944 118.2393 56.6824 37.0887 172.7549 35 E 5.2158 8.2480 118.8021 54.7907 33.6988 174.8132 36 C 4.9775 8.6050 117.9793 56.6217 42.2902 173.3097 37 T 4.9128 8.4018 110.2654 58.6542 70.9424 172.3315 38 P 4.3071 0.0000 0.0000 65.2577 31.6612 176.7807 39 R 4.6215 7.5789 113.9173 54.2722 31.8911 173.6186 40 L 4.7265 8.5898 123.2545 52.6666 44.2447 175.4066 41 I 3.8638 8.4413 125.0536 61.8187 38.8900 172.4781 42 M 2.8310 9.4052 133.6716 55.6919 29.8585 171.1395 43 E 3.9192 9.1746 131.9338 56.3923 31.5687 172.0102 44 G 4.0412 9.6664 109.6404 43.6046 0.0000 174.9132 45 L 3.8247 6.1104 121.1694 53.3589 42.2268 174.2624 46 S 4.0877 8.5423 115.9206 59.1021 63.4109 172.2333 47 F 3.6005 9.2336 128.9832 57.3486 36.7292 174.4624 48 A 4.0674 8.1675 127.7602 52.1607 19.1271 176.0590 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 E 8.44 4.24 0.00 1.93 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 2.19 2.49 0.00 2 D 8.18 4.66 0.00 2.72 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 3 N 7.99 4.49 0.00 2.76 2.78 0.00 0.00 6.04 7.68 0.00 0.00 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 8.32 4.91 0.00 3.03 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 5 I 7.91 4.19 1.93 0.00 0.00 0.85 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 0.79 0.90 0.00 0.00 6 A 8.45 4.40 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 7 E 7.89 4.75 0.00 1.93 1.90 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 2.22 2.26 0.00 8 D 8.28 4.68 0.00 2.40 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.76 4.90 0.00 2.82 2.90 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 10 G 8.36 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 5.04 0.00 1.63 1.72 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.35 7.81 12 C 8.93 5.03 0.00 3.08 3.12 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 0.00 0.00 0.00 0.00 13 T 8.01 4.75 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 14 W 8.57 4.76 0.00 3.39 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 15 G 9.11 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 16 G 7.79 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 17 T 8.47 4.12 4.24 0.00 0.00 0.00 0.00 0.00 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 18 K 8.44 4.54 0.00 1.66 1.74 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.40 7.81 19 C 8.32 4.70 0.00 3.02 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.96 3.94 0.00 2.99 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 21 R 7.96 4.38 0.00 1.98 1.92 0.00 3.70 0.00 0.00 3.44 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.89 0.00 22 G 7.96 3.76 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 0.00 0.00 0.00 23 R 7.71 4.66 0.00 1.85 1.81 0.00 3.34 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 24 P 0.00 4.67 0.00 2.15 2.22 0.00 3.87 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 25 C 8.61 5.42 0.00 2.89 2.97 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 26 R 8.54 5.09 0.00 1.95 1.78 0.00 3.32 0.00 0.00 3.54 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 27 C 8.89 4.29 0.00 2.51 2.69 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 0.00 0.00 0.00 0.00 28 S 7.73 4.16 0.00 3.66 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.60 3.98 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 30 I 7.64 3.81 1.86 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 1.34 0.62 0.92 0.00 0.00 31 G 6.86 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.44 4.20 4.21 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 1.25 0.00 0.00 33 N 8.25 3.96 0.00 2.87 2.86 0.00 0.00 6.78 7.64 0.00 0.00 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 C 7.69 4.53 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 5.22 0.00 1.87 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 2.18 2.20 0.00 36 C 8.61 4.98 0.00 2.97 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 37 T 8.40 4.91 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 1.24 0.00 0.00 38 P 0.00 4.31 0.00 2.15 2.10 0.00 3.65 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.84 0.00 39 R 7.58 4.62 0.00 1.80 1.96 0.00 3.00 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 40 L 8.59 4.73 0.00 1.74 1.62 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.44 3.86 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.75 0.92 0.00 0.00 42 M 9.41 2.83 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 43 E 9.17 3.92 0.00 2.14 1.97 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 2.17 2.33 0.00 44 G 9.67 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 45 L 6.11 3.82 0.00 1.86 1.74 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.54 4.09 0.00 4.03 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 47 F 9.23 3.60 0.00 3.13 3.11 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 0.00 0.00 0.00 48 A 8.17 4.07 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00