NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 D 4.5557 8.3493 120.1975 53.6468 43.3595 174.8557 25 H 4.7102 7.8968 114.4977 51.8995 30.3625 172.6795 26 H 4.1828 9.6176 123.0937 58.6925 29.1903 178.0174 27 Y 3.3075 7.1760 118.5410 60.5467 37.2606 178.3316 28 A 4.0962 7.5137 120.8458 54.9629 18.5033 178.7440 29 M 4.3409 8.1668 115.3658 56.5701 32.5692 177.6242 30 W 4.4548 8.3605 119.2467 57.0260 29.4567 177.6804 31 D 4.4802 8.1356 119.9677 56.5920 38.6479 178.4243 32 A 3.9678 8.0093 121.6824 54.7368 18.4977 179.2514 33 A 3.9029 7.9534 118.8207 55.2901 18.4955 179.0270 34 Y 4.0244 8.1801 118.1735 61.1054 38.7870 178.6215 35 V 3.4873 7.9249 117.7382 65.5881 31.7321 177.3056 36 L 4.2456 8.1285 117.3552 55.2318 41.6221 177.7596 37 G 3.7353 7.7115 106.6543 45.6805 0.0000 173.9842 38 A 4.4330 7.8346 120.5258 51.6001 19.5811 178.3161 39 L 4.1524 7.5669 116.8247 53.6886 42.6989 177.7390 40 S 4.3029 8.4403 117.6591 58.0192 65.0403 175.0888 41 A 3.9925 8.6944 124.2419 55.6115 18.1010 179.9759 42 A 3.9981 7.9864 118.2799 55.6035 18.6134 179.4324 43 D 4.6369 8.1448 117.3940 57.6110 40.7803 179.0291 44 R 4.2357 8.8383 119.6083 59.5472 29.9964 178.8890 45 R 3.9697 8.1299 117.6261 59.2677 30.0601 178.6760 46 E 3.9503 8.2161 118.0838 59.6029 29.5041 179.3750 47 F 3.7975 8.3389 120.4623 61.0417 39.4585 177.1529 48 E 3.6172 8.4694 118.2880 59.0496 28.9919 178.8479 49 A 3.8019 7.7933 120.0053 55.6809 18.7642 178.6936 50 H 3.8667 8.0660 116.5244 59.3874 29.4046 177.4137 51 L 3.5423 7.6027 120.7429 57.4161 41.0886 179.2695 52 A 4.0653 7.6704 119.9594 53.8653 18.2833 178.2004 53 G 3.7931 7.5183 103.5180 44.9468 0.0000 173.1292 54 C 4.5150 7.4034 119.8288 56.3755 33.3497 172.3873 55 P 4.2724 0.0000 0.0000 65.1198 30.9774 178.5732 56 E 3.9190 8.0440 117.2832 59.8022 29.5182 178.9265 57 C 4.2558 8.1031 116.0863 62.9274 28.1705 176.3504 58 R 3.9848 8.0405 119.9693 59.1025 29.5864 179.3093 59 G 3.6293 8.1462 105.4830 47.3424 0.0000 175.7784 60 A 4.0201 8.0868 123.0473 55.3887 18.2975 180.2618 61 V 3.7846 7.8978 109.5507 64.7703 31.3939 178.6017 62 T 4.0643 8.0635 115.6908 66.7758 68.0525 176.4288 63 E 4.0910 8.0769 119.5037 59.0511 29.6850 178.4816 64 L 4.4493 7.7295 116.7002 55.1644 41.7690 177.5457 65 C 4.6340 7.6616 113.2086 58.8263 30.5737 174.8402 66 G 3.8485 7.8343 107.8573 45.8015 0.0000 175.8525 67 V 3.6122 7.4840 121.3939 65.6435 31.5320 176.0416 68 P 4.2199 0.0000 0.0000 65.5687 30.9654 178.4105 69 A 3.9834 7.8929 118.1476 54.9577 18.5914 179.3662 70 L 4.0773 7.7240 117.0290 58.0723 41.9495 179.5075 71 L 4.0298 8.2466 119.5348 57.8726 41.3489 179.5772 72 S 4.3161 8.1368 112.6942 60.5596 63.0663 175.7720 73 Q 4.1750 7.8665 120.7611 56.4192 28.8489 175.6147 74 L 4.9381 7.0504 119.2365 52.6677 44.9461 176.4813 75 D 4.7694 8.9762 121.8043 53.2695 43.3115 178.2566 76 R 3.9884 8.4442 118.1043 59.4806 29.1795 178.9344 77 D 4.2882 7.9880 119.3499 57.2910 40.9678 177.9804 78 E 3.9394 8.1917 118.6120 59.7039 29.5651 179.6459 79 V 3.5830 7.8006 117.7514 65.8227 31.5858 177.9509 80 A 3.9765 8.3982 120.7735 54.9343 18.2283 179.3919 81 A 3.9479 8.1799 119.3974 55.5272 18.2570 179.9713 82 I 3.7011 7.6819 117.0685 64.6390 37.1979 178.6010 83 S 4.3022 7.7516 115.1275 61.2838 62.7247 176.2897 84 E 4.0489 7.9463 120.7134 60.0621 29.3623 177.1847 85 S 4.7673 7.6176 118.1420 58.1145 64.8003 173.6360 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 24 D 8.35 4.56 0.00 2.67 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 25 H 7.90 4.71 0.00 3.36 3.34 0.00 5.52 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 9.62 4.18 0.00 3.40 3.50 0.00 5.49 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.18 3.31 0.00 2.54 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.51 4.10 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 29 M 8.17 4.34 0.00 2.11 2.36 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.80 0.00 30 W 8.36 4.45 0.00 2.65 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 31 D 8.14 4.48 0.00 3.03 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 32 A 8.01 3.97 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.95 3.90 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.18 4.02 0.00 2.94 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 35 V 7.92 3.49 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.16 0.00 0.00 36 L 8.13 4.25 0.00 1.64 1.67 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.71 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.43 1.21 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 0.00 0.00 39 L 7.57 4.15 0.00 1.69 1.68 0.60 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.44 4.30 0.00 4.05 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 41 A 8.69 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 42 A 7.99 4.00 1.38 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 0.00 0.00 0.00 43 D 8.14 4.64 0.00 3.02 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.84 4.24 0.00 2.06 2.23 0.00 3.22 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.12 0.00 45 R 8.13 3.97 0.00 2.15 2.01 0.00 3.37 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 46 E 8.22 3.95 0.00 2.48 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 2.47 2.70 0.00 47 F 8.34 3.80 0.00 3.41 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 3.62 0.00 2.03 1.92 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 2.31 2.52 0.00 49 A 7.79 3.80 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 50 H 8.07 3.87 0.00 2.26 2.54 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.60 3.54 0.00 1.44 1.35 0.30 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.67 4.07 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.52 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 54 C 7.40 4.51 0.00 2.62 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.17 2.05 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 56 E 8.04 3.92 0.00 2.07 2.05 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 2.43 2.49 0.00 57 C 8.10 4.26 0.00 2.89 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 58 R 8.04 3.98 0.00 1.96 1.94 0.00 3.07 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 59 G 8.15 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.09 4.02 1.53 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 0.00 0.00 61 V 7.90 3.78 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 1.11 0.00 0.00 1.05 0.00 0.00 62 T 8.06 4.06 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 1.23 0.00 0.00 63 E 8.08 4.09 0.00 2.17 2.05 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 2.37 2.68 0.00 64 L 7.73 4.45 0.00 1.86 1.73 1.07 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 65 C 7.66 4.63 0.00 3.20 3.27 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 66 G 7.83 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 67 V 7.48 3.61 2.28 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 1.11 0.00 0.00 0.95 0.00 0.00 68 P 0.00 4.22 0.00 2.18 2.06 0.00 3.74 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 2.10 2.14 0.00 69 A 7.89 3.98 1.33 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 0.00 0.00 70 L 7.72 4.08 0.00 1.88 1.72 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.25 4.03 0.00 1.95 1.72 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.14 4.32 0.00 4.01 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.17 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 74 L 7.05 4.94 0.00 1.63 1.64 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.98 4.77 0.00 2.66 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.44 3.99 0.00 2.02 2.19 0.00 2.95 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 77 D 7.99 4.29 0.00 2.70 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 78 E 8.19 3.94 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 79 V 7.80 3.58 2.20 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 1.00 0.00 0.00 0.97 0.00 0.00 80 A 8.40 3.98 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 81 A 8.18 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.68 3.70 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 0.68 0.91 0.00 0.00 83 S 7.75 4.30 0.00 3.99 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.95 4.05 0.00 2.08 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 2.34 2.34 0.00 85 S 7.62 4.77 0.00 3.96 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