NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 D 4.6637 8.3644 120.5357 54.1783 42.2553 174.1440 26 V 4.3037 8.3527 123.3095 60.3535 34.5317 172.6608 27 M 5.1532 8.9547 126.0881 53.6418 36.4651 173.3125 28 W 5.5521 9.5815 123.9801 54.8919 33.4776 174.2147 29 E 5.5328 9.2129 119.3471 55.0773 32.9673 174.0330 30 Y 5.7331 8.2200 117.1851 55.6128 42.1416 173.8241 31 K 4.9712 9.1738 119.0469 55.0396 35.9025 177.5116 32 W 4.2933 9.3140 121.7338 59.1557 29.4325 176.6020 33 E 4.8691 8.1150 115.5532 54.5853 31.9061 175.5611 34 N 4.1137 7.8129 120.6340 53.2682 37.9203 173.7102 35 T 4.6057 6.9713 109.2182 59.4222 72.3971 175.4737 36 G 3.5865 8.4912 110.0213 47.4622 0.0000 174.2564 37 D 4.5326 7.2892 118.8853 55.2501 42.0002 177.2517 38 A 4.0673 7.2128 119.8007 52.1870 18.8072 177.0869 39 E 3.9018 8.6398 121.2615 56.4331 30.1330 176.5111 40 L 4.5862 7.8770 122.7483 53.5161 42.3923 175.3583 41 Y 4.4913 7.7257 120.1395 57.4672 40.2519 175.0923 42 G 3.8025 7.8686 110.7549 41.0000 0.0000 171.3148 43 P 4.5658 0.0000 0.0000 62.5746 32.0208 175.9885 44 F 5.4556 9.1235 123.2072 55.5192 42.7041 175.1610 45 T 4.4408 8.6201 112.2536 61.6978 69.8917 175.6230 46 S 4.1466 9.1121 118.5190 61.8060 62.8707 176.7508 47 A 3.9092 8.0172 122.9651 55.0825 18.1033 179.2052 48 Q 3.1931 7.8054 117.9148 59.4112 28.9707 178.5597 49 M 3.7536 7.3706 119.5247 58.1427 31.6947 178.5377 50 Q 3.9569 7.8844 119.9070 59.4296 29.3427 178.4462 51 T 3.7760 7.7711 116.8213 66.5228 68.5051 176.7068 52 W 4.4097 7.6594 120.8122 59.5101 28.9158 178.7642 53 V 3.5906 8.0154 118.6860 66.1333 30.9137 178.2768 54 S 4.3089 8.1032 111.7654 60.3828 62.9895 174.9634 55 E 4.3939 7.8903 120.6310 55.6732 29.5387 176.7008 56 G 3.8004 7.7386 107.1319 45.9782 0.0000 174.6685 57 Y 4.1338 7.4813 117.9414 59.5722 38.6626 176.2087 58 F 5.4012 7.4308 118.5366 55.5673 38.8533 174.4146 59 P 4.3483 0.0000 0.0000 65.0688 31.8336 177.7205 60 D 4.7393 8.2918 116.2425 53.3744 41.4143 176.7653 61 G 3.9908 8.4769 106.9064 45.3094 0.0000 173.1154 62 V 4.1344 7.8691 110.9990 59.3337 36.3836 175.0282 63 Y 5.1632 8.6144 120.7218 57.3632 38.6425 174.6618 64 C 5.9968 9.5806 120.1207 56.7434 33.6481 173.1340 65 R 5.1510 8.9384 115.0114 54.7868 32.6787 174.8494 66 K 3.7242 8.2430 119.5920 56.4918 32.5018 177.3974 67 L 4.2188 8.0430 120.8306 55.3870 42.1654 176.6655 68 D 4.5976 7.4423 117.9314 51.5651 43.6318 173.2011 69 P 4.6294 0.0000 0.0000 60.7017 32.8613 174.9454 70 P 4.3064 0.0000 0.0000 65.8506 31.1562 178.2706 71 G 4.1024 7.3200 108.3381 48.6866 0.0000 174.3994 72 G 3.4220 7.6429 107.5180 42.8641 0.0000 172.3441 73 Q 3.3459 8.7016 135.0000 54.9497 27.9974 171.4935 74 F 4.7657 8.4380 124.0385 56.8740 40.2604 175.0642 75 Y 5.1129 9.0289 120.7180 55.7665 41.8882 174.6297 76 N 4.5881 9.0346 121.7788 53.6411 39.6440 176.0227 77 S 4.0658 9.2452 121.9589 60.7077 63.3142 176.4041 78 K 3.9037 8.2282 121.8808 58.7870 31.9118 177.3241 79 R 4.3273 7.8804 115.5063 56.0031 30.6165 175.8993 80 I 4.0026 7.2687 120.0916 59.5573 38.4190 175.2105 81 D 4.5416 8.1430 125.2245 52.3122 40.4617 176.4203 82 F 4.3945 8.1286 126.1065 60.1669 39.2420 177.4562 83 D 4.5596 7.8071 118.3307 56.6735 41.0611 177.2117 84 L 4.0816 7.9401 117.9478 56.9329 41.6824 177.2206 85 Y 4.7361 8.2128 115.3360 57.7130 38.3008 175.8317 86 T 4.2972 7.9717 116.1184 61.8157 69.1141 174.1989 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 25 D 8.36 4.66 0.00 2.70 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 26 V 8.35 4.30 2.21 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 0.25 0.00 0.00 0.97 0.00 0.00 27 M 8.95 5.15 0.00 2.06 1.77 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 28 W 9.58 5.55 0.00 3.40 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 29 E 9.21 5.53 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 30 Y 8.22 5.73 0.00 3.03 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 K 9.17 4.97 0.00 1.78 1.87 0.00 1.16 0.00 0.00 1.20 0.00 0.00 2.13 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.23 1.48 7.81 32 W 9.31 4.29 0.00 3.49 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.12 4.87 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 34 N 7.81 4.11 0.00 1.44 2.14 0.00 0.00 6.81 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 35 T 6.97 4.61 4.17 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 1.14 0.00 0.00 36 G 8.49 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.29 4.53 0.00 2.72 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 A 7.21 4.07 1.26 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 39 E 8.64 3.90 0.00 1.88 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 2.24 2.23 0.00 40 L 7.88 4.59 0.00 1.39 1.50 0.96 0.87 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 41 Y 7.73 4.49 0.00 2.28 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 42 G 7.87 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 43 P 0.00 4.57 0.00 2.02 1.98 0.00 3.53 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 44 F 9.12 5.46 0.00 3.20 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 45 T 8.62 4.44 4.30 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 1.26 0.00 0.00 46 S 9.11 4.15 0.00 4.12 4.44 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 47 A 8.02 3.91 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 48 Q 7.81 3.19 0.00 1.87 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 49 M 7.37 3.75 0.00 0.51 0.76 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.60 0.00 50 Q 7.88 3.96 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 51 T 7.77 3.78 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 1.20 0.00 0.00 52 W 7.66 4.41 0.00 3.17 2.10 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 53 V 8.02 3.59 2.34 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 1.16 0.00 0.00 1.34 0.00 0.00 54 S 8.10 4.31 0.00 4.06 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 55 E 7.89 4.39 0.00 2.27 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 2.31 2.42 0.00 56 G 7.74 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 57 Y 7.48 4.13 0.00 2.49 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 7.43 5.40 0.00 3.02 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 59 P 0.00 4.35 0.00 2.22 2.21 0.00 4.07 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 60 D 8.29 4.74 0.00 2.76 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.48 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 62 V 7.87 4.13 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 -0.61 0.00 0.00 63 Y 8.61 5.16 0.00 3.08 2.99 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 64 C 9.58 6.00 0.00 3.41 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.94 5.15 0.00 1.63 1.78 0.00 2.36 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.37 0.00 66 K 8.24 3.72 0.00 1.44 1.37 0.00 1.44 0.00 0.00 1.42 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 0.57 7.81 67 L 8.04 4.22 0.00 1.50 1.62 0.86 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 68 D 7.44 4.60 0.00 2.49 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.63 0.00 2.22 2.14 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 70 P 0.00 4.31 0.00 2.16 2.20 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 71 G 7.32 4.10 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 0.00 0.00 0.00 72 G 7.64 3.42 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 73 Q 8.70 3.35 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.09 1.36 0.00 74 F 8.44 4.77 0.00 2.92 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 75 Y 9.03 5.11 0.00 3.08 2.85 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 76 N 9.03 4.59 0.00 2.84 2.73 0.00 0.00 6.84 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 9.25 4.07 0.00 4.10 4.12 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 78 K 8.23 3.90 0.00 1.93 1.87 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.31 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.46 7.81 79 R 7.88 4.33 0.00 1.94 1.89 0.00 3.23 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 80 I 7.27 4.00 1.16 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 1.22 0.72 -0.14 0.00 0.00 81 D 8.14 4.54 0.00 2.60 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.13 4.39 0.00 3.18 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 83 D 7.81 4.56 0.00 2.85 2.80 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 84 L 7.94 4.08 0.00 1.41 1.27 0.78 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 8.21 4.74 0.00 3.27 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.97 4.30 4.30 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 1.39 0.00 0.00