NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3127 8.0976 120.8598 56.6599 32.1259 177.5767 2 M 4.0351 7.8358 114.7714 56.6759 32.0871 176.5337 3 K 4.2694 8.3434 121.9845 58.9991 33.0706 179.3654 4 Q 3.9851 7.7917 118.4625 59.3001 29.0344 178.3571 5 I 3.6902 7.8141 120.8141 64.4028 36.9232 178.2615 6 E 4.0350 8.0640 119.3629 59.2617 29.2148 179.1072 7 D 4.3548 7.9166 118.8503 57.1532 41.0212 178.6616 8 K 3.9505 8.3034 119.5736 60.0519 32.3102 179.3152 9 I 3.6982 7.7079 120.7094 64.2100 37.0533 178.0001 10 E 4.1835 8.1550 121.4506 58.4843 29.3278 178.6034 11 E 3.9040 8.3208 119.7484 59.3234 29.7210 178.7860 12 I 3.7090 8.0394 120.2824 64.4807 37.2447 178.3007 13 E 3.9576 8.5423 119.8046 59.2917 29.2238 179.4114 14 S 4.1835 8.0140 113.2546 61.4287 62.5161 176.4376 15 K 4.0235 8.2464 121.2686 59.2912 31.6169 179.1873 16 Q 3.9404 8.3041 120.1981 59.0251 28.9788 178.2006 17 K 3.9289 8.1768 120.6744 59.4729 32.2449 178.9399 18 K 3.9925 8.0973 118.8313 59.4671 31.8604 179.4551 19 I 3.7494 7.8659 120.1848 64.4215 37.0506 178.3615 20 E 4.0019 8.5237 119.7993 59.4575 29.2940 179.2114 21 N 4.3845 8.3890 116.7192 56.0955 38.4845 177.1547 22 E 3.9273 8.3368 120.8442 59.3522 29.7012 178.8945 23 I 3.6735 8.1957 120.0831 64.3505 37.2138 178.2846 24 A 3.9902 8.1329 121.6299 55.1009 18.1484 179.9884 25 R 3.8831 7.8905 116.5831 59.3897 30.1135 179.2283 26 I 3.6999 8.0245 119.8891 64.4542 37.0917 178.6471 27 K 4.0248 8.2830 119.3575 59.3928 31.9546 179.6295 28 K 3.9795 7.9642 118.3880 59.3075 31.9771 179.2421 29 L 3.9969 7.9873 120.7752 57.9229 42.0261 178.7054 30 L 4.0024 8.3862 120.8685 58.2707 42.0273 179.0128 31 Q 4.0842 8.3637 118.1307 58.8521 28.4985 178.7385 32 L 4.1083 7.8478 120.0509 57.9445 41.5729 179.6188 33 T 3.9670 8.1954 109.9205 64.6343 68.7211 176.8917 34 V 3.5814 8.0356 121.1535 65.5843 31.5525 177.8104 35 W 4.2020 8.4914 128.2617 60.3923 30.5576 178.1781 36 G 3.5702 8.7661 105.9953 47.8729 0.0000 175.7320 37 I 3.6816 7.9921 122.6151 63.8756 37.1058 178.3320 38 K 3.7912 8.0212 120.4242 59.6711 31.9503 178.8700 39 Q 3.6833 7.6628 118.2165 58.7635 28.5316 178.7296 40 L 3.9214 7.8183 120.0702 57.6912 41.5853 179.3003 41 Q 3.9133 8.4153 119.7976 59.0632 28.7445 178.1532 42 A 3.9217 7.7207 121.0225 54.9781 18.4367 179.2764 43 R 3.9371 7.6634 116.4395 59.7190 30.2599 178.5917 44 I 3.8391 7.6206 118.4331 63.9151 37.1485 176.6534 45 L 4.3265 7.9433 123.5471 54.8956 41.7605 176.4939 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 R 8.10 4.31 0.00 1.86 1.99 0.00 3.14 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 2 M 7.84 4.04 0.00 2.32 2.30 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 2.65 2.59 0.00 3 K 8.34 4.27 0.00 1.81 1.85 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.66 1.31 7.81 4 Q 7.79 3.99 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 5 I 7.81 3.69 2.03 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 1.13 0.91 0.00 0.00 6 E 8.06 4.04 0.00 2.16 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 2.57 0.00 7 D 7.92 4.35 0.00 2.81 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.30 3.95 0.00 1.97 2.07 0.00 1.39 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.46 7.81 9 I 7.71 3.70 2.11 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 1.41 0.76 0.91 0.00 0.00 10 E 8.15 4.18 0.00 2.05 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 2.17 0.00 11 E 8.32 3.90 0.00 2.11 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 2.30 2.39 0.00 12 I 8.04 3.71 2.00 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 0.49 0.91 0.00 0.00 13 E 8.54 3.96 0.00 2.14 2.00 0.00 0.00 0.00 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 2.51 0.00 14 S 8.01 4.18 0.00 3.98 4.03 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 0.00 0.00 0.00 15 K 8.25 4.02 0.00 1.98 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.44 7.81 16 Q 8.30 3.94 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 17 K 8.18 3.93 0.00 2.01 1.93 0.00 1.58 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.52 7.81 18 K 8.10 3.99 0.00 2.02 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.59 7.81 19 I 7.87 3.75 2.03 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 0.79 0.91 0.00 0.00 20 E 8.52 4.00 0.00 2.12 2.00 0.00 0.00 0.00 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 2.54 0.00 21 N 8.39 4.38 0.00 2.87 2.86 0.00 0.00 6.63 7.23 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 22 E 8.34 3.93 0.00 2.18 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 2.39 0.00 23 I 8.20 3.67 2.02 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 1.46 0.55 0.91 0.00 0.00 24 A 8.13 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.88 0.00 2.06 1.98 0.00 3.13 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 1.64 1.83 0.00 26 I 8.02 3.70 2.03 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 0.86 0.92 0.00 0.00 27 K 8.28 4.02 0.00 1.93 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 28 K 7.96 3.98 0.00 1.95 1.83 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.61 7.81 29 L 7.99 4.00 0.00 1.77 1.79 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.39 4.00 0.00 1.86 1.87 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.36 4.08 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 32 L 7.85 4.11 0.00 1.94 1.75 0.88 0.23 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 33 T 8.20 3.97 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 34 V 8.04 3.58 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.98 0.00 0.00 35 W 8.49 4.20 0.00 3.46 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.77 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 3.68 1.99 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 1.40 0.77 0.88 0.00 0.00 38 K 8.02 3.79 0.00 1.85 1.73 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.41 7.81 39 Q 7.66 3.68 0.00 1.76 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 40 L 7.82 3.92 0.00 1.75 1.66 0.90 0.56 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 Q 8.42 3.91 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 42 A 7.72 3.92 1.28 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 0.00 0.00 0.00 43 R 7.66 3.94 0.00 1.84 2.13 0.00 3.29 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 44 I 7.62 3.84 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.71 0.89 0.00 0.00 45 L 7.94 4.33 0.00 1.58 1.55 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00