NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3913 8.3001 120.3283 55.1410 33.6621 174.2316 2 A 4.2886 8.6599 121.1207 51.5295 20.3831 175.2580 3 K 5.1879 9.1355 118.8585 54.4238 36.3124 173.8367 4 W 4.9952 9.4646 123.7850 54.7792 32.8600 174.2362 5 R 5.1145 9.1399 124.8691 54.3576 32.4797 174.2606 6 C 3.6636 8.7618 127.7960 58.9993 31.7906 174.6702 7 K 4.0262 8.7745 126.8917 59.1307 32.1800 178.8922 8 I 3.9093 7.7739 119.3526 63.8111 37.0982 176.4086 9 C 4.6732 7.8131 109.9324 56.9343 30.6828 174.7546 10 G 3.9182 8.4253 108.9677 45.2262 0.0000 173.2184 11 Y 4.2446 7.8259 121.5103 58.0601 40.0152 174.6368 12 I 4.8735 7.4961 126.4051 59.6539 39.5361 174.2809 13 Y 4.4283 9.4829 129.6731 56.7617 40.1111 173.5746 14 D 4.7753 7.9096 127.3970 52.4616 42.4062 176.2916 15 E 3.9861 8.8550 127.3009 59.7486 30.0269 179.7523 16 D 4.3018 8.4054 118.5163 56.5411 41.0336 177.0526 17 E 4.2875 8.1172 117.4014 55.4622 31.0555 178.3279 18 G 3.9296 7.7875 107.2873 46.1738 0.0000 174.0847 19 D 4.9918 8.6606 110.8251 52.1730 41.8497 174.6451 20 P 4.4409 0.0000 0.0000 65.5377 32.1483 178.9342 21 D 4.4195 8.2967 116.7935 56.7817 40.8203 176.7592 22 N 4.8631 8.2817 115.0520 52.9686 38.7583 175.1354 23 G 3.8184 8.3457 105.1202 46.2736 0.0000 174.0855 24 I 4.3408 7.6439 120.7061 59.1703 38.5075 175.6410 25 S 4.7472 8.3715 121.7634 56.7859 63.8005 172.1088 26 P 4.1266 0.0000 0.0000 64.8275 31.4080 176.8992 27 G 3.9258 9.0726 110.3722 45.6195 0.0000 173.2266 28 T 4.2745 7.2189 115.5428 62.1652 69.3173 175.1744 29 K 4.4155 8.4418 126.0087 55.9612 33.3205 177.6015 30 F 3.3474 9.3008 124.5262 61.5883 38.7682 177.6988 31 E 3.6943 7.9128 116.3586 58.9958 29.3665 178.0268 32 D 4.4375 7.5867 116.2435 53.6793 41.6301 176.9235 33 L 3.6895 6.2978 119.8760 53.4812 42.2592 175.2350 34 P 4.2063 0.0000 0.0000 62.9751 31.8523 177.2407 35 D 4.2491 8.7062 121.2791 56.8775 40.8692 177.1886 36 D 4.8340 7.7955 115.9845 52.4233 39.7086 176.0627 37 W 4.1520 7.9937 129.7971 58.0339 31.1154 175.5168 38 V 4.3005 6.7744 116.5658 58.6960 35.0796 174.9614 39 C 3.7229 8.6678 122.1190 59.0816 31.5154 173.1424 40 P 4.0379 0.0000 0.0000 64.6002 31.3292 177.1453 41 L 4.2454 7.5752 119.1530 56.4159 42.5519 176.6069 42 C 4.5453 7.8027 109.1161 57.0426 30.8686 174.4941 43 G 3.7231 8.2023 108.1528 45.8038 0.0000 173.7813 44 A 4.1678 7.5440 122.6392 50.8657 19.2757 176.3370 45 P 4.8927 0.0000 0.0000 61.7932 32.7762 177.5819 46 K 4.3743 8.6967 117.4618 59.4277 31.9863 179.6580 47 S 4.4117 8.2552 112.2167 60.6200 63.1797 174.5192 48 E 4.5350 8.7301 120.3991 56.4040 29.4300 175.0987 49 F 5.3927 8.3828 118.3706 55.9719 41.0588 175.1413 50 E 4.9516 9.0004 119.1813 54.3027 33.2791 174.7229 51 R 3.5557 8.0190 122.3847 56.0126 30.2756 176.0838 52 I 4.2173 7.8420 118.5710 60.4265 38.7747 175.2252 53 E 4.2303 7.5169 126.9326 57.0410 29.2876 174.6639 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 M 8.30 4.39 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 2 A 8.66 4.29 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 3 K 9.14 5.19 0.00 1.60 1.65 0.00 1.56 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.39 7.81 4 W 9.46 5.00 0.00 3.22 2.90 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 5 R 9.14 5.11 0.00 1.81 1.73 0.00 3.07 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 6 C 8.76 3.66 0.00 2.18 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.77 4.03 0.00 1.84 1.84 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 8 I 7.77 3.91 1.84 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 1.45 0.73 0.90 0.00 0.00 9 C 7.81 4.67 0.00 3.04 2.97 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 10 G 8.43 3.92 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 0.00 0.00 0.00 11 Y 7.83 4.24 0.00 3.21 2.97 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 12 I 7.50 4.87 1.70 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 1.21 0.90 0.87 0.00 0.00 13 Y 9.48 4.43 0.00 3.66 3.21 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 0.00 14 D 7.91 4.78 0.00 2.61 2.33 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 0.00 15 E 8.85 3.99 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 2.86 2.66 0.00 16 D 8.41 4.30 0.00 2.79 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 17 E 8.12 4.29 0.00 1.93 1.96 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 2.21 2.32 0.00 18 G 7.79 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 19 D 8.66 4.99 0.00 3.25 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 2.27 2.13 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 21 D 8.30 4.42 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.28 4.86 0.00 3.06 2.91 0.00 0.00 7.05 7.67 0.00 0.00 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 G 8.35 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.64 4.34 2.19 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.17 0.94 0.00 0.00 25 S 8.37 4.75 0.00 3.90 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.13 0.00 2.04 2.18 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 2.05 2.26 0.00 27 G 9.07 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 28 T 7.22 4.27 4.31 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 1.12 0.00 0.00 29 K 8.44 4.42 0.00 1.94 1.92 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.46 7.81 30 F 9.30 3.35 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.91 3.69 0.00 1.88 1.90 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 2.31 2.40 0.00 32 D 7.59 4.44 0.00 2.64 2.59 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 33 L 6.30 3.69 0.00 0.77 0.68 -1.46 -0.18 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 34 P 0.00 4.21 0.00 2.28 1.97 0.00 3.39 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 35 D 8.71 4.25 0.00 2.62 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 36 D 7.80 4.83 0.00 2.74 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 37 W 7.99 4.15 0.00 3.12 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 38 V 6.77 4.30 1.97 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 0.71 0.00 0.00 0.63 0.00 0.00 39 C 8.67 3.72 0.00 3.18 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.04 0.00 1.80 1.92 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 2.13 0.00 41 L 7.58 4.25 0.00 1.53 1.65 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.80 4.55 0.00 3.06 2.97 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 43 G 8.20 3.72 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 0.00 0.00 0.00 44 A 7.54 4.17 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 45 P 0.00 4.89 0.00 2.31 2.25 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 46 K 8.70 4.37 0.00 1.83 1.88 0.00 1.34 0.00 0.00 1.65 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.68 7.81 47 S 8.26 4.41 0.00 4.07 4.09 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 48 E 8.73 4.54 0.00 2.32 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 2.37 2.47 0.00 49 F 8.38 5.39 0.00 3.28 3.13 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 50 E 9.00 4.95 0.00 1.97 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 0.00 2.18 2.19 0.00 51 R 8.02 3.56 0.00 0.67 1.25 0.00 2.68 0.00 0.00 2.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.65 0.00 52 I 7.84 4.22 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.72 0.89 0.00 0.00 53 E 7.52 4.23 0.00 1.79 1.69 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 2.08 2.17 0.00