NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3104 8.0176 110.9380 61.5297 69.6988 173.8122 4 S 4.3165 8.2815 113.8196 58.3784 63.1957 174.4677 5 A 4.1009 7.8346 124.9810 54.5259 19.4733 179.7661 6 S 4.7564 7.7974 108.4615 57.9886 63.7348 176.1543 7 G 3.7991 7.8827 109.2027 48.2935 0.0000 174.0476 8 P 4.2994 0.0000 0.0000 65.4684 31.2780 178.2491 9 E 4.1126 8.1657 117.2393 59.1253 29.6652 177.8816 10 H 4.1029 8.4548 118.5082 59.3868 29.9646 177.0509 11 E 4.0248 8.7838 120.6980 59.4122 29.3093 179.2075 12 F 4.0864 8.2238 120.2986 61.1651 39.4267 177.3720 13 V 3.4513 8.2134 118.2270 66.0149 31.5015 177.8556 14 S 4.0169 8.0525 112.8456 61.3759 62.1609 176.3755 15 K 3.9306 8.0638 121.0984 59.3443 31.8084 179.1336 16 F 3.7381 7.9112 120.9454 61.0433 38.9987 176.8725 17 L 3.9994 7.9791 119.0938 58.3953 42.0346 178.8385 18 T 3.9674 7.7197 115.2193 66.7310 68.3729 176.6818 19 L 3.8749 7.9199 120.6665 57.6438 41.3881 179.2792 20 A 3.9566 7.7489 119.4120 53.7347 18.2933 178.0319 21 T 4.6562 7.1147 105.6325 61.1462 69.5870 174.8152 22 L 4.0275 7.5231 123.9312 57.8901 41.6524 177.2792 23 T 4.6257 7.3214 104.8998 58.8055 71.6425 173.1615 24 E 3.9416 8.6014 121.2874 55.8843 29.6352 175.6633 25 P 4.2345 0.0000 0.0000 62.6135 32.1077 175.9673 26 K 3.8386 8.7992 123.4473 59.1467 32.0265 176.6152 27 L 4.3518 7.5086 117.6318 52.1003 42.9082 174.7637 28 P 4.5713 0.0000 0.0000 61.9470 32.2810 177.2756 29 K 3.8904 8.7017 118.9621 59.6677 31.9495 178.2208 30 S 4.4703 7.9635 110.1396 58.3504 63.4746 173.5204 31 Y 4.1589 7.9420 123.7396 58.3243 38.8866 175.4674 32 T 4.0840 7.3797 122.6190 61.0800 71.6435 173.6252 33 K 3.7465 8.0374 128.3871 55.3286 32.9412 174.6721 34 P 4.2080 0.0000 0.0000 62.7073 31.7647 177.1723 35 L 4.2760 8.5509 124.4581 57.5666 42.3157 178.9040 36 K 3.9460 8.1192 117.0296 58.9584 31.9932 177.0353 37 D 4.6992 8.1845 116.3952 53.8455 41.5049 176.5851 38 V 3.7931 7.3242 120.9279 63.0532 31.7571 175.4993 39 T 4.4067 8.5115 123.6744 64.4375 69.9239 173.8456 40 N 5.0019 7.7302 115.8196 52.0110 40.1594 173.6239 41 L 4.6430 8.3717 115.7020 54.2477 43.0245 178.7508 42 G 3.7887 7.9017 107.4641 46.8888 0.0000 174.6770 43 V 4.3731 8.0912 123.4467 59.8505 33.4705 173.7227 44 P 4.3433 0.0000 0.0000 62.7820 31.7755 176.2481 45 L 4.4599 8.1641 122.2096 52.8098 42.8992 174.9896 46 P 4.4563 0.0000 0.0000 62.8291 31.9082 176.3279 47 T 4.1093 8.0919 116.3077 63.2743 68.2652 174.8349 48 L 4.2546 8.2623 125.1112 54.2950 42.4950 178.5576 49 K 4.0221 8.0297 121.4038 59.1362 32.2544 177.3740 50 Y 4.4263 6.4695 116.9882 56.9699 38.5429 175.4673 51 K 4.2775 8.6008 125.2199 56.3147 33.1690 175.0295 52 Y 4.6928 8.4436 124.3156 55.7562 40.5908 174.8628 53 K 4.5681 7.3966 124.5905 55.6053 36.4606 176.2550 54 Q 4.0157 8.1888 117.4233 56.9391 29.5872 174.5346 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 T 8.02 4.31 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 4 S 8.28 4.32 0.00 4.11 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.83 4.10 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.80 4.76 0.00 4.05 4.05 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 7 G 7.88 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 0.00 0.00 0.00 8 P 0.00 4.30 0.00 2.18 2.15 0.00 3.53 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 9 E 8.17 4.11 0.00 2.06 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 2.45 2.36 0.00 10 H 8.45 4.10 0.00 3.35 3.47 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.78 4.02 0.00 2.26 2.06 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 2.52 2.52 0.00 12 F 8.22 4.09 0.00 3.26 3.24 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 0.00 13 V 8.21 3.45 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.06 0.00 0.00 14 S 8.05 4.02 0.00 3.93 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 15 K 8.06 3.93 0.00 1.83 1.77 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.53 7.81 16 F 7.91 3.74 0.00 2.43 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.98 4.00 0.00 1.78 1.83 0.96 1.05 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 18 T 7.72 3.97 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 1.17 0.00 0.00 19 L 7.92 3.87 0.00 1.37 1.52 0.81 0.65 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 20 A 7.75 3.96 1.09 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 0.00 0.00 0.00 0.00 0.00 21 T 7.11 4.66 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 1.21 0.00 0.00 22 L 7.52 4.03 0.00 1.73 1.76 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.32 4.63 4.22 0.00 0.00 0.00 0.00 0.00 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 24 E 8.60 3.94 0.00 1.94 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 2.31 2.39 0.00 25 P 0.00 4.23 0.00 2.17 1.99 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 26 K 8.80 3.84 0.00 1.65 1.80 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.43 7.81 27 L 7.51 4.35 0.00 1.53 1.48 0.49 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.57 0.00 2.26 2.20 0.00 3.69 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 2.19 2.04 0.00 29 K 8.70 3.89 0.00 1.79 1.96 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.47 7.81 30 S 7.96 4.47 0.00 3.99 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 31 Y 7.94 4.16 0.00 2.96 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 32 T 7.38 4.08 4.05 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 1.08 0.00 0.00 33 K 8.04 3.75 0.00 1.68 1.67 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.56 7.81 34 P 0.00 4.21 0.00 2.33 1.95 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.04 0.00 35 L 8.55 4.28 0.00 1.69 1.65 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.12 3.95 0.00 1.77 1.86 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 37 D 8.18 4.70 0.00 2.70 2.70 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 0.00 0.00 0.00 0.00 38 V 7.32 3.79 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.92 0.00 0.00 39 T 8.51 4.41 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 40 N 7.73 5.00 0.00 2.77 2.75 0.00 0.00 5.88 7.79 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 41 L 8.37 4.64 0.00 1.63 1.68 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.90 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 0.00 0.00 0.00 43 V 8.09 4.37 2.08 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 0.87 0.00 0.00 0.93 0.00 0.00 44 P 0.00 4.34 0.00 2.08 1.97 0.00 3.72 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 2.02 2.11 0.00 45 L 8.16 4.46 0.00 1.63 1.59 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.46 0.00 2.16 2.05 0.00 3.77 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 1.99 1.99 0.00 47 T 8.09 4.11 4.22 0.00 0.00 0.00 0.00 0.00 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 48 L 8.26 4.25 0.00 1.80 1.77 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.03 4.02 0.00 0.83 1.54 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.04 1.14 7.81 50 Y 6.47 4.43 0.00 3.25 2.92 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 51 K 8.60 4.28 0.00 1.77 1.76 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.48 7.81 52 Y 8.44 4.69 0.00 2.96 2.86 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 53 K 7.40 4.57 0.00 1.57 1.56 0.00 1.81 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.39 7.81 54 Q 8.19 4.02 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.65 0.00 0.00 0.00 0.00 0.00 2.21 2.11 0.00