NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9920 8.3549 109.7385 45.3452 0.0000 173.9474 3 T 4.4572 7.4586 113.3724 61.3493 72.8551 172.4474 4 T 4.6077 9.1603 121.0404 60.3816 71.4497 172.5973 5 T 4.3779 8.4081 123.5433 62.4090 69.2826 173.8807 6 M 4.4708 8.4631 126.6021 53.5437 33.8785 175.2629 7 G 3.8537 8.5469 115.1420 44.6225 0.0000 173.0950 8 V 4.1980 8.3472 126.5748 60.1166 33.1484 175.8906 9 K 4.3360 8.5672 126.8081 53.4393 32.0809 172.6235 10 L 4.8786 8.1075 123.8325 50.9855 45.5534 176.8750 11 D 4.6382 8.3452 121.8421 53.1485 41.5758 177.3030 12 D 4.3498 8.5546 119.4817 57.2163 40.7899 178.7541 13 A 3.9795 7.9865 120.9141 55.6073 18.3370 179.6889 14 T 3.7958 8.6971 114.4945 66.6527 68.4344 176.7773 15 R 3.8754 7.9959 120.5982 59.7490 30.0446 178.4544 16 E 3.9706 8.4746 118.3916 59.3370 29.3936 179.5898 17 R 3.9268 8.0064 118.2697 59.1551 30.0522 179.1049 18 I 3.7105 8.0707 119.8845 64.3514 37.2663 178.4972 19 K 3.9270 8.2399 119.4557 59.5762 32.0307 179.3270 20 S 4.0534 8.2741 113.0103 61.3269 62.3430 176.0028 21 A 3.9884 8.1534 123.2161 55.0768 18.1342 179.3674 22 A 3.9946 8.3838 119.6443 55.6916 18.5111 179.9037 23 T 3.7923 7.7894 113.8656 66.9869 68.3321 176.9146 24 R 3.9984 7.7008 118.4792 58.7356 30.1122 178.1417 25 I 4.1970 7.2768 109.4983 59.7566 38.2099 175.1130 26 D 4.3239 7.9787 118.0649 56.2119 38.6281 173.2942 27 R 4.5040 8.1400 116.0634 53.9902 33.9836 176.1195 28 T 4.4802 8.0230 109.2073 60.4222 71.5803 173.8808 29 P 4.3175 0.0000 0.0000 66.0619 31.3558 178.4048 30 H 4.0682 8.3018 116.5408 59.0763 29.8501 176.7828 31 W 4.1206 8.3589 130.1146 60.4329 30.4051 177.5633 32 L 4.1744 8.2663 120.1842 58.3075 41.4905 179.0196 33 I 3.5683 7.8687 119.6999 64.2900 37.0354 178.5152 34 K 3.3210 7.7197 119.1801 59.2123 31.7593 179.0285 35 Q 3.6172 7.7233 119.8024 58.9204 28.8004 178.0787 36 A 3.9213 7.9217 121.9165 55.3462 18.3797 179.5358 37 I 3.5472 7.5757 118.1090 64.7083 37.1137 178.7495 38 F 4.5334 7.9653 118.7951 60.7123 38.8067 177.9944 39 S 4.1730 8.3724 114.9605 61.7768 62.6578 176.1806 40 Y 4.0812 8.2411 122.2396 60.6148 38.5273 177.7241 41 L 3.9856 8.5365 120.4610 57.7777 41.7295 179.0293 42 E 3.9515 8.6089 119.6267 59.5213 29.3148 179.0054 43 Q 3.9657 7.6946 116.6489 58.6749 28.8773 178.3473 44 L 4.0053 7.7913 120.1091 57.8035 41.5308 179.3563 45 E 4.0399 8.4962 120.1093 59.7478 29.4316 179.4421 46 N 4.4905 8.0437 119.0273 56.2650 37.6147 178.8993 47 S 4.5389 7.5734 117.7336 58.7275 63.2044 173.8061 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 2 G 8.35 3.99 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 0.00 0.00 0.00 3 T 7.46 4.46 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 1.24 0.00 0.00 4 T 9.16 4.61 4.25 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 1.21 0.00 0.00 5 T 8.41 4.38 4.25 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 1.22 0.00 0.00 6 M 8.46 4.47 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 7 G 8.55 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.35 4.20 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 0.71 0.00 0.00 0.88 0.00 0.00 9 K 8.57 4.34 0.00 1.80 1.66 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 1.02 7.81 10 L 8.11 4.88 0.00 1.55 1.52 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.35 4.64 0.00 2.94 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.55 4.35 0.00 2.70 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 3.98 1.35 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 0.00 0.00 14 T 8.70 3.80 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 1.19 0.00 0.00 15 R 8.00 3.88 0.00 2.00 2.06 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 16 E 8.47 3.97 0.00 2.14 1.98 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 2.57 2.49 0.00 17 R 8.01 3.93 0.00 2.06 1.98 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 18 I 8.07 3.71 2.04 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 1.52 0.81 0.93 0.00 0.00 19 K 8.24 3.93 0.00 1.94 1.87 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.55 7.81 20 S 8.27 4.05 0.00 3.89 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 21 A 8.15 3.99 1.44 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 0.00 0.00 0.00 22 A 8.38 3.99 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 23 T 7.79 3.79 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 24 R 7.70 4.00 0.00 1.99 2.00 0.00 3.15 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 25 I 7.28 4.20 1.81 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.56 0.93 0.00 0.00 26 D 7.98 4.32 0.00 2.75 2.68 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 0.00 0.00 0.00 0.00 27 R 8.14 4.50 0.00 1.64 1.73 0.00 2.21 0.00 0.00 2.63 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.00 28 T 8.02 4.48 4.32 0.00 0.00 0.00 0.00 0.00 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 29 P 0.00 4.32 0.00 2.22 2.18 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 30 H 8.30 4.07 0.00 3.23 3.37 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.36 4.12 0.00 3.52 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 4.17 0.00 2.09 2.01 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.87 3.57 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.60 0.76 0.00 0.00 34 K 7.72 3.32 0.00 1.57 1.35 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.12 1.23 7.81 35 Q 7.72 3.62 0.00 0.93 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 36 A 7.92 3.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.58 3.55 1.47 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.45 0.70 0.00 0.00 38 F 7.97 4.53 0.00 2.94 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 39 S 8.37 4.17 0.00 4.09 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 40 Y 8.24 4.08 0.00 3.13 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 41 L 8.54 3.99 0.00 1.94 1.76 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.61 3.95 0.00 2.15 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 0.00 2.30 2.35 0.00 43 Q 7.69 3.97 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 44 L 7.79 4.01 0.00 1.56 1.59 0.83 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.50 4.04 0.00 1.98 1.99 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 2.33 2.34 0.00 46 N 8.04 4.49 0.00 2.84 2.74 0.00 0.00 6.86 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.57 4.54 0.00 3.87 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00