NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9003 8.3549 109.7366 45.5370 0.0000 173.2466 2 I 3.9231 8.1617 123.4722 60.5192 37.8544 174.9489 3 G 4.4243 8.3160 114.6342 43.7692 0.0000 170.8050 4 D 4.7717 7.7559 117.4423 50.3152 43.2385 173.6560 5 P 4.2324 0.0000 0.0000 65.6618 31.3164 179.3515 6 V 3.5786 7.7951 116.7056 66.2856 31.4430 178.0561 7 T 3.8360 8.6239 115.9704 66.5750 68.0927 175.6586 8 C 4.2609 8.1557 120.3804 59.8913 44.9116 175.7980 9 L 4.1625 7.9605 121.7919 57.2169 40.9578 179.5675 10 K 3.9646 8.1075 118.0485 59.3714 32.0832 178.8284 11 S 4.3902 7.6519 112.4281 59.2954 63.2724 175.0852 12 G 3.8457 8.1509 110.9133 45.0473 0.0000 173.0657 13 A 4.6600 7.6332 122.4733 50.8590 21.5830 176.3123 14 I 4.5775 8.4575 118.8168 59.9260 40.5618 174.7413 15 C 5.2075 8.5684 122.1563 55.8091 40.4245 172.6213 16 H 4.8998 8.8503 124.4689 53.1357 32.4537 171.1523 17 P 4.4012 0.0000 0.0000 64.0880 31.5013 176.4467 18 V 3.8070 8.8084 128.3530 63.8715 31.9412 172.2258 19 F 5.0050 7.1657 110.2127 55.3219 40.5660 174.1679 20 C 4.2694 8.6136 119.5878 55.6734 40.8408 172.2832 21 P 4.8199 0.0000 0.0000 62.3713 31.8491 177.5007 22 R 3.9894 8.9109 119.2003 59.7669 29.8773 178.3441 23 R 4.1733 7.9869 110.0032 56.7718 29.6858 175.1466 24 Y 4.8734 7.7723 116.0996 56.4476 40.9513 174.7172 25 K 4.6755 8.8249 122.1239 54.6032 35.0273 174.8942 26 Q 4.7086 8.7861 128.8222 55.9894 29.5778 175.1879 27 I 4.4841 9.6941 118.3879 59.7207 38.9271 176.6423 28 G 3.9269 6.8477 109.3952 46.6519 0.0000 170.8721 29 T 5.2033 7.9050 110.5777 59.2901 71.7140 172.8195 30 C 4.7688 8.4851 116.9930 56.7182 40.8848 175.6015 31 G 4.3430 8.1220 113.6712 45.3935 0.0000 175.3729 32 L 4.1401 7.4256 120.3333 53.1124 42.3265 175.0543 33 P 4.4099 0.0000 0.0000 64.0302 31.8764 177.4552 34 G 3.9683 8.8718 109.1086 46.0769 0.0000 173.2957 35 T 4.6294 7.7922 111.0852 61.4190 70.3716 173.8815 36 K 4.7698 9.0004 123.2659 54.7585 36.1551 174.2742 37 C 4.9514 8.9413 124.9461 55.8028 44.8656 171.4870 38 C 5.5046 9.2068 124.5164 54.9964 44.0609 172.8823 39 K 4.7824 9.4154 126.2902 54.6800 33.2769 175.8308 40 K 4.4035 8.9030 129.2373 55.6470 33.1825 174.7237 41 P 4.3950 0.0000 0.0000 63.0871 31.3575 176.1077 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 G 8.35 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 2 I 8.16 3.92 1.87 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 1.35 0.75 0.97 0.00 0.00 3 G 8.32 4.42 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 0.00 4 D 7.76 4.77 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.16 2.11 0.00 3.58 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.23 0.00 6 V 7.80 3.58 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.92 0.00 0.00 7 T 8.62 3.84 4.27 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 1.21 0.00 0.00 8 C 8.16 4.26 0.00 3.07 3.25 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 9 L 7.96 4.16 0.00 1.89 1.69 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.11 3.96 0.00 1.98 1.88 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.54 7.81 11 S 7.65 4.39 0.00 4.00 3.98 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 12 G 8.15 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 13 A 7.63 4.66 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 14 I 8.46 4.58 1.56 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.63 0.76 0.00 0.00 15 C 8.57 5.21 0.00 2.78 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 16 H 8.85 4.90 0.00 2.89 2.92 0.00 5.59 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.40 0.00 2.05 1.96 0.00 3.28 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 18 V 8.81 3.81 2.35 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 0.98 0.00 0.00 1.01 0.00 0.00 19 F 7.17 5.01 0.00 3.14 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 20 C 8.61 4.27 0.00 3.06 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.82 0.00 2.56 2.14 0.00 3.46 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.74 0.00 22 R 8.91 3.99 0.00 1.84 2.04 0.00 3.21 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 23 R 7.99 4.17 0.00 1.73 1.94 0.00 2.81 0.00 0.00 3.12 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.99 0.00 24 Y 7.77 4.87 0.00 3.03 2.89 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 25 K 8.82 4.68 0.00 1.84 1.67 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.37 7.81 26 Q 8.79 4.71 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 27 I 9.69 4.48 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 1.31 0.85 0.93 0.00 0.00 28 G 6.85 3.93 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 0.00 0.00 0.00 29 T 7.90 5.20 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 1.21 0.00 0.00 30 C 8.49 4.77 0.00 2.86 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 31 G 8.12 4.34 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 0.00 32 L 7.43 4.14 0.00 1.70 1.59 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.41 0.00 2.04 1.99 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 34 G 8.87 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 35 T 7.79 4.63 4.20 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 1.23 0.00 0.00 36 K 9.00 4.77 0.00 1.57 1.67 0.00 1.78 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.51 7.81 37 C 8.94 4.95 0.00 3.12 2.95 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 0.00 0.00 0.00 38 C 9.21 5.50 0.00 2.39 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 39 K 9.42 4.78 0.00 1.84 1.88 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.42 7.81 40 K 8.90 4.40 0.00 1.95 1.74 0.00 1.86 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 1.49 7.81 41 P 0.00 4.40 0.00 2.14 1.93 0.00 3.55 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.88 0.00