NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2056 8.1233 123.5488 52.2242 21.0331 179.0901 3 F 4.1650 7.6227 114.3812 59.7528 38.9003 175.4772 4 L 4.0743 8.3347 119.7596 58.2889 42.1392 178.6568 5 G 3.6334 8.1266 104.5393 47.9940 0.0000 175.0848 6 A 3.9755 8.3329 123.9351 54.7053 18.2349 179.6669 7 A 3.9708 8.0791 119.1733 55.3298 18.5117 179.9715 8 I 3.6495 8.2292 118.6091 64.3562 37.1772 178.6052 9 A 3.9675 8.2870 121.5914 55.2058 18.2899 179.6382 10 A 4.0948 8.1669 119.5376 55.0792 18.5644 180.1933 11 G 3.5431 8.4795 104.7513 47.9422 0.0000 176.0855 12 L 4.0335 8.1415 121.4200 57.4288 41.6032 179.4456 13 A 4.0101 8.2347 120.5587 54.9768 18.2463 179.6235 14 A 3.9351 8.1273 119.5104 55.1169 18.4077 180.0155 15 V 3.4756 7.7302 116.2202 66.1461 31.6730 177.7227 16 A 4.0791 8.1453 120.5535 55.3481 18.1565 179.7720 17 G 3.7571 8.5772 104.5063 47.2752 0.0000 175.5098 18 A 4.0078 7.9516 123.7676 54.9548 18.3608 179.8634 19 I 3.6693 7.9926 118.1242 64.3147 37.2850 178.5075 20 A 3.9704 8.0404 121.6652 55.1989 18.2259 179.7844 21 V 3.5283 8.0177 116.5699 66.0088 31.5203 177.9801 22 A 3.9574 8.0061 120.3726 55.3733 18.2902 179.4611 23 I 3.6260 7.9897 118.5248 64.8412 37.1997 178.8036 24 I 3.7594 7.6848 120.0743 64.2343 36.9269 178.7246 25 V 3.5421 8.2514 119.6423 65.5961 31.3399 177.8174 26 K 3.7959 8.2337 119.3472 59.6606 31.9840 178.3621 27 A 3.9803 7.9748 120.7783 55.6530 18.2448 179.7666 28 T 3.7819 7.9962 114.0135 66.7964 68.4909 177.0859 29 I 3.7191 8.1000 122.1607 64.3013 37.1431 178.3743 30 E 4.0387 8.8815 119.9339 59.3620 29.2749 179.6332 31 G 3.6250 8.3981 106.1145 48.2323 0.0000 175.9202 32 T 3.9054 8.0474 118.2130 66.4394 68.1733 177.0686 33 T 3.8828 7.6807 117.0290 66.8195 68.5839 176.6863 34 R 4.2617 7.8989 118.6676 57.8709 31.3806 177.0835 35 Q 4.4968 8.1876 117.5240 52.8842 29.4760 173.6470 36 P 4.4042 0.0000 0.0000 64.5384 31.8828 178.1057 37 E 4.2214 8.1115 115.2816 57.6015 29.8307 177.4233 38 L 4.6010 7.9343 119.4048 54.4547 41.9726 177.9375 39 R 3.9467 7.6511 121.2069 59.7621 29.8363 178.6952 40 G 3.5853 7.9880 104.4724 48.1126 0.0000 175.1763 41 T 3.8854 7.9562 118.2016 66.5961 68.4091 176.4449 42 L 3.9867 8.1763 120.7698 57.6183 41.6795 179.1997 43 Q 3.6547 8.2605 119.8035 59.3819 28.8927 178.5779 44 T 4.0008 8.1535 116.9918 66.6021 68.3896 176.6297 45 L 3.9917 7.5744 120.9524 57.7962 41.5375 179.0612 46 M 3.9265 8.1412 118.4426 58.8982 31.9428 178.4002 47 F 4.6866 7.8156 115.9633 60.0690 39.3730 177.5594 48 I 4.1482 7.9267 120.1052 64.0943 37.1385 178.4891 49 G 3.6975 8.4512 107.0176 47.5445 0.0000 175.8623 50 V 3.6205 8.1780 121.0057 65.4914 31.4818 176.2944 51 P 4.2621 0.0000 0.0000 65.5622 30.9691 178.4231 52 L 3.9977 7.3735 115.0579 57.9879 41.6593 179.2882 53 A 4.1566 7.9792 119.3064 54.9703 18.5179 178.9913 54 E 4.1373 8.6744 116.0889 57.8526 29.6854 178.8602 55 A 3.9685 7.6475 122.1018 55.4170 18.4426 179.8663 56 V 3.5741 7.6996 115.8909 65.5343 31.7064 176.2130 57 P 4.2682 0.0000 0.0000 65.7191 31.1986 178.5958 58 I 3.7709 7.9160 118.5819 64.3307 36.8915 178.5404 59 I 3.7196 7.8032 120.4393 64.3797 36.9386 178.3770 60 A 4.0033 8.4380 121.8944 55.0941 18.2249 179.7748 61 I 3.7771 7.7723 118.7042 64.1968 37.0773 178.7252 62 V 3.6087 7.8367 119.2397 66.2079 31.4149 178.1851 63 I 3.6969 8.0946 119.8144 64.2522 36.9094 178.3319 64 S 4.0890 7.9915 114.1100 61.5487 62.2775 176.3683 65 L 4.1870 7.9557 121.3548 57.7013 41.1461 179.3805 66 L 4.1167 8.0587 118.4931 57.9854 41.6146 179.3757 67 I 3.8630 7.7873 118.8973 63.9583 37.1073 177.9338 68 L 3.9705 7.5032 118.4489 55.9919 41.5830 176.9343 69 F 4.5254 7.9608 121.9769 57.5840 39.8502 174.4520 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 2 A 8.12 4.21 1.02 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 0.00 0.00 0.00 0.00 0.00 3 F 7.62 4.17 0.00 3.18 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 4 L 8.33 4.07 0.00 1.74 1.69 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.13 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 6 A 8.33 3.98 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 7 A 8.08 3.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.23 3.65 1.88 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 1.46 0.87 0.91 0.00 0.00 9 A 8.29 3.97 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 10 A 8.17 4.09 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.48 3.54 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 0.00 0.00 0.00 12 L 8.14 4.03 0.00 1.79 1.73 0.92 0.58 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 13 A 8.23 4.01 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.13 3.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.73 3.48 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 1.08 0.00 0.00 0.93 0.00 0.00 16 A 8.15 4.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.58 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.95 4.01 1.42 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 19 I 7.99 3.67 1.93 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 1.67 0.97 0.91 0.00 0.00 20 A 8.04 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.02 3.53 2.23 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 1.01 0.00 0.00 1.06 0.00 0.00 22 A 8.01 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.99 3.63 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 1.52 0.82 0.91 0.00 0.00 24 I 7.68 3.76 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 0.95 0.89 0.00 0.00 25 V 8.25 3.54 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 0.98 0.00 0.00 0.99 0.00 0.00 26 K 8.23 3.80 0.00 1.93 1.96 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.31 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.46 7.81 27 A 7.97 3.98 1.39 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 0.00 0.00 28 T 8.00 3.78 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 29 I 8.10 3.72 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.59 0.90 0.00 0.00 30 E 8.88 4.04 0.00 2.07 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 2.32 2.48 0.00 31 G 8.40 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 32 T 8.05 3.91 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 1.19 0.00 0.00 33 T 7.68 3.88 4.40 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 1.20 0.00 0.00 34 R 7.90 4.26 0.00 1.90 1.98 0.00 3.10 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 35 Q 8.19 4.50 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 36 P 0.00 4.40 0.00 2.17 2.10 0.00 3.86 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 2.11 2.07 0.00 37 E 8.11 4.22 0.00 1.95 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 2.31 2.32 0.00 38 L 7.93 4.60 0.00 1.77 1.63 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.65 3.95 0.00 2.04 1.93 0.00 3.24 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 40 G 7.99 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 41 T 7.96 3.89 4.38 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 1.20 0.00 0.00 42 L 8.18 3.99 0.00 1.62 1.65 0.91 1.27 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 43 Q 8.26 3.65 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 1.99 1.87 0.00 44 T 8.15 4.00 4.43 0.00 0.00 0.00 0.00 0.00 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 45 L 7.57 3.99 0.00 1.80 1.69 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 46 M 8.14 3.93 0.00 1.75 1.86 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 47 F 7.82 4.69 0.00 3.09 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 48 I 7.93 4.15 1.91 0.00 0.00 0.89 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 1.37 0.94 0.00 0.00 49 G 8.45 3.70 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 0.00 0.00 0.00 50 V 8.18 3.62 2.24 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 1.17 0.00 0.00 1.04 0.00 0.00 51 P 0.00 4.26 0.00 2.22 2.11 0.00 3.76 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 2.23 2.22 0.00 52 L 7.37 4.00 0.00 1.87 1.75 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.98 4.16 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.67 4.14 0.00 2.12 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 2.45 2.49 0.00 55 A 7.65 3.97 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 56 V 7.70 3.57 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 1.15 0.00 0.00 0.94 0.00 0.00 57 P 0.00 4.27 0.00 2.31 2.30 0.00 3.76 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 2.23 2.19 0.00 58 I 7.92 3.77 2.05 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 1.53 1.09 0.92 0.00 0.00 59 I 7.80 3.72 2.02 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 1.46 0.83 0.92 0.00 0.00 60 A 8.44 4.00 1.39 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 0.00 0.00 61 I 7.77 3.78 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.39 0.94 0.00 0.00 62 V 7.84 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 1.13 0.00 0.00 1.00 0.00 0.00 63 I 8.09 3.70 2.01 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 1.42 0.56 0.92 0.00 0.00 64 S 7.99 4.09 0.00 4.08 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 65 L 7.96 4.19 0.00 2.02 1.96 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.06 4.12 0.00 1.80 1.76 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.79 3.86 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.61 0.89 0.00 0.00 68 L 7.50 3.97 0.00 1.53 0.53 0.77 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 69 F 7.96 4.53 0.00 3.10 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