NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 L 4.1195 8.0385 122.4735 55.4014 44.0748 178.6232 12 A 3.7459 7.8968 120.1583 53.4599 18.0922 177.0156 13 Q 4.2256 8.1689 113.1986 58.1963 30.6737 176.0385 14 E 3.7148 8.1692 118.8002 58.7197 29.5611 178.2132 15 A 4.1152 8.2605 121.5575 55.2363 18.4188 179.8059 16 G 3.5823 7.6658 103.7758 48.0069 0.0000 175.4354 17 N 4.3625 8.1473 119.0250 56.3339 39.0538 176.6471 18 F 4.0204 8.3907 122.2555 61.2617 39.4432 177.0636 19 E 4.1598 8.3996 118.3480 59.1260 29.0995 179.4030 20 R 3.8191 7.9043 118.9356 59.3879 30.1216 178.5810 21 I 3.5438 7.7011 119.6694 64.3816 37.0765 178.1867 22 S 3.9305 8.0637 114.3017 61.3611 62.1090 176.4977 23 G 3.5712 8.1431 108.2930 47.9685 0.0000 175.4030 24 D 4.3734 8.2689 121.6427 56.9425 40.7035 178.9644 25 L 3.9748 8.1650 119.8069 57.8232 41.6022 179.7261 26 K 3.9794 8.1849 118.4458 59.5816 31.8887 179.6562 27 T 3.8632 7.9198 116.1235 66.8315 68.4156 176.8077 28 Q 4.0411 8.2257 119.9583 59.0359 28.6808 178.9614 29 I 4.0087 8.1983 121.2524 64.4965 37.1294 178.2173 30 D 4.4427 8.4709 120.0039 57.3234 40.4972 178.9195 31 Q 3.9848 8.0482 118.7791 58.8214 28.6839 178.8209 32 V 3.4389 7.8039 119.2295 66.1356 31.5733 177.8704 33 E 4.1489 8.4800 118.3315 59.4999 29.3243 179.4892 34 S 4.1218 8.1842 113.1916 61.5834 62.2955 176.3140 35 T 3.8299 7.9284 117.2076 66.6216 68.5010 176.2279 36 A 4.3393 8.4894 123.2513 55.1736 18.5521 179.8985 37 G 3.6595 8.3619 104.5555 47.8348 0.0000 175.6327 38 S 4.3505 7.9535 114.4431 59.8439 63.3875 175.2648 39 L 4.3831 7.6924 123.3884 53.6818 41.7342 177.4917 40 Q 4.1919 7.7055 120.3255 59.2525 28.9374 177.7134 41 G 3.8352 7.9698 107.1859 48.3954 0.0000 173.9034 42 Q 4.3927 7.3668 116.5629 54.6938 29.2594 175.3013 43 W 4.8185 7.4639 119.0132 56.8735 29.3708 175.7381 44 R 4.6198 8.4118 120.4184 55.7383 34.0187 176.2583 45 G 3.9673 8.6925 108.8762 45.0673 0.0000 174.0935 46 A 3.9996 8.4082 118.7156 55.0874 18.2605 179.7775 47 A 4.0790 8.0692 119.0475 55.0172 18.4269 179.9987 48 G 3.6411 7.8910 103.8998 48.2356 0.0000 176.0945 49 T 3.7871 7.7829 117.5607 66.3144 68.4588 176.4998 50 A 3.8870 7.9190 122.4079 55.0274 18.3113 179.6128 51 A 3.5412 7.5287 119.2124 55.0532 18.3926 179.7225 52 Q 3.6068 7.2799 116.3554 59.0552 28.7960 179.1669 53 A 3.9332 7.8893 121.3149 54.9729 18.3852 179.4613 54 A 3.8847 7.8153 119.2623 55.2357 18.3863 179.5604 55 V 3.6077 7.7827 116.9469 66.6529 31.4878 178.3914 56 V 3.5964 7.7180 117.1616 65.9899 31.3661 177.9876 57 R 3.8710 8.1608 118.4635 59.3374 29.9255 178.2800 58 F 4.1653 8.4070 120.5321 61.3508 39.4202 176.8703 59 Q 3.6634 8.3905 119.3156 59.0682 28.9205 178.1655 60 E 3.8896 8.1680 119.4803 59.2096 29.4920 179.1436 61 A 3.9011 7.9323 120.6068 55.1472 18.4258 179.6265 62 A 3.7576 7.8863 119.6482 55.1092 18.3149 179.6640 63 N 4.2577 8.1111 115.2042 56.2017 38.5807 177.8792 64 K 3.9833 7.9190 119.8823 59.1993 32.0559 179.1295 65 Q 3.9383 8.1322 119.8771 59.1566 29.0411 178.4342 66 K 3.8929 8.0801 119.4585 59.5947 32.1130 178.8919 67 Q 3.9677 8.0723 119.6435 59.2176 28.8397 178.2101 68 E 3.9023 8.2812 120.0623 59.3502 29.7485 178.5516 69 L 4.1926 8.2817 119.4151 58.2420 41.7113 179.4459 70 D 4.4173 8.2755 118.5836 57.3746 40.7741 178.6484 71 E 4.0014 8.2329 119.1630 59.4623 29.4340 179.5471 72 I 3.6417 8.0445 119.9581 64.4407 37.0887 178.6720 73 S 4.1460 8.3170 116.0449 61.8046 62.5735 176.9600 74 T 3.8434 7.9932 118.3669 66.6748 68.1648 176.2254 75 N 4.2650 8.1404 118.3494 56.6088 38.5151 177.4987 76 I 3.6039 7.7671 120.7993 64.3714 37.1995 178.7277 77 R 3.9025 8.1293 118.9838 59.5306 29.8056 179.2711 78 Q 4.0503 8.5319 117.9134 58.6954 28.6267 178.6208 79 A 4.4576 7.8494 123.7913 54.2217 18.4250 179.6684 80 G 3.6221 8.3097 104.7045 48.1483 0.0000 175.6824 81 V 3.6157 7.5486 119.7804 65.8853 31.4702 177.5133 82 Q 4.1070 7.9776 119.0451 59.2777 28.6197 177.6635 83 Y 3.9651 7.8397 116.6782 60.1333 38.3706 176.0245 84 S 4.4429 8.5864 118.0255 58.8810 62.6461 173.6886 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 11 L 8.04 4.12 0.00 1.49 1.43 0.71 0.38 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 12 A 7.90 3.75 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 13 Q 8.17 4.23 0.00 2.24 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 14 E 8.17 3.71 0.00 2.08 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 2.38 2.46 0.00 15 A 8.26 4.12 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 16 G 7.67 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.15 4.36 0.00 2.87 3.18 0.00 0.00 6.84 7.71 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 18 F 8.39 4.02 0.00 3.22 3.17 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 0.00 19 E 8.40 4.16 0.00 2.23 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 2.66 2.51 0.00 20 R 7.90 3.82 0.00 1.99 2.08 0.00 3.31 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 21 I 7.70 3.54 1.60 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.64 0.73 0.00 0.00 22 S 8.06 3.93 0.00 3.39 3.86 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 23 G 8.14 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.27 4.37 0.00 2.80 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 25 L 8.16 3.97 0.00 1.83 1.68 0.83 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.18 3.98 0.00 1.92 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.61 7.81 27 T 7.92 3.86 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 1.21 0.00 0.00 28 Q 8.23 4.04 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 29 I 8.20 4.01 2.13 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 1.67 0.83 0.96 0.00 0.00 30 D 8.47 4.44 0.00 2.95 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 31 Q 8.05 3.98 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 32 V 7.80 3.44 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 0.07 0.00 0.00 0.83 0.00 0.00 33 E 8.48 4.15 0.00 2.29 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 2.79 2.82 0.00 34 S 8.18 4.12 0.00 3.95 4.07 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 35 T 7.93 3.83 4.34 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 1.20 0.00 0.00 36 A 8.49 4.34 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 37 G 8.36 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.95 4.35 0.00 4.04 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 39 L 7.69 4.38 0.00 1.93 0.94 0.78 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 7.71 4.19 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 41 G 7.97 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.37 4.39 0.00 1.62 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.95 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 43 W 7.46 4.82 0.00 3.30 3.16 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 44 R 8.41 4.62 0.00 1.83 1.80 0.00 3.40 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.58 0.00 45 G 8.69 3.97 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 0.00 0.00 0.00 46 A 8.41 4.00 1.32 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 0.00 0.00 0.00 47 A 8.07 4.08 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 48 G 7.89 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.78 3.79 4.34 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 1.18 0.00 0.00 50 A 7.92 3.89 1.32 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 0.00 0.00 0.00 51 A 7.53 3.54 0.27 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 52 Q 7.28 3.61 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.05 0.00 53 A 7.89 3.93 1.30 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 0.00 0.00 0.00 54 A 7.82 3.88 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 55 V 7.78 3.61 2.26 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 1.17 0.00 0.00 1.03 0.00 0.00 56 V 7.72 3.60 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 0.94 0.00 0.00 0.96 0.00 0.00 57 R 8.16 3.87 0.00 1.93 2.08 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 58 F 8.41 4.17 0.00 3.20 3.22 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 0.00 59 Q 8.39 3.66 0.00 2.38 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 60 E 8.17 3.89 0.00 2.17 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 2.30 2.41 0.00 61 A 7.93 3.90 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 62 A 7.89 3.76 0.70 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 63 N 8.11 4.26 0.00 2.72 2.83 0.00 0.00 6.96 6.78 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 64 K 7.92 3.98 0.00 1.95 1.83 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.61 7.81 65 Q 8.13 3.94 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 66 K 8.08 3.89 0.00 2.00 1.84 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.42 7.81 67 Q 8.07 3.97 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 68 E 8.28 3.90 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 69 L 8.28 4.19 0.00 1.91 1.78 0.87 0.89 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 70 D 8.28 4.42 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.23 4.00 0.00 2.18 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 2.33 2.50 0.00 72 I 8.04 3.64 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.70 0.04 0.00 0.00 73 S 8.32 4.15 0.00 4.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.99 3.84 4.39 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 1.21 0.00 0.00 75 N 8.14 4.26 0.00 2.88 2.83 0.00 0.00 7.10 6.80 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 76 I 7.77 3.60 1.91 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.56 0.84 0.00 0.00 77 R 8.13 3.90 0.00 1.99 1.98 0.00 3.13 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 78 Q 8.53 4.05 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 79 A 7.85 4.46 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 80 G 8.31 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.55 3.62 2.27 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 0.84 0.00 0.00 0.98 0.00 0.00 82 Q 7.98 4.11 0.00 2.38 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.52 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 83 Y 7.84 3.97 0.00 3.23 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 84 S 8.59 4.44 0.00 3.90 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