NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4106 8.2649 123.5824 51.7277 20.2148 179.4263 2 K 4.1766 8.3612 121.5656 59.5168 34.6792 172.5858 3 T 4.6462 8.0631 114.1454 62.4586 70.6365 172.4137 4 I 3.8655 8.1874 124.2827 62.2352 38.5550 174.1617 5 K 3.7944 8.8019 126.5219 56.7253 28.4393 175.8119 6 I 5.0246 8.1051 119.7636 59.6997 37.0213 177.0201 7 T 4.0202 7.6985 113.4456 62.3638 70.1946 174.7782 8 Q 4.3153 8.5102 129.5366 55.7372 30.2839 175.8378 9 T 4.0888 8.7824 117.5812 61.0548 70.6778 173.9358 10 R 4.2077 8.1363 121.2195 57.0614 30.5361 176.2343 11 S 4.3156 9.3075 110.2205 59.0817 62.5742 167.1721 12 A 4.3997 8.0661 131.7783 52.5662 22.9642 177.1886 13 I 4.1395 7.8069 108.3346 61.3404 38.8909 175.5730 14 G 4.0620 8.8619 111.0999 45.6456 0.0000 174.3373 15 R 4.1740 7.5388 117.2118 55.6466 30.9839 176.4128 16 L 4.0972 8.3557 119.9793 54.4992 42.1977 176.7542 17 P 4.2879 0.0000 0.0000 65.8745 31.3348 178.9410 18 K 4.1707 7.9148 116.8542 60.0157 31.9977 178.2516 19 H 4.3757 8.1416 116.8800 58.5317 28.0806 177.5763 20 K 3.8440 8.1926 120.4048 60.2125 32.3364 178.8506 21 A 4.0376 7.6265 121.0085 55.2913 18.3112 179.6760 22 T 3.9538 8.2162 108.4844 64.5910 68.7026 176.4529 23 L 4.1581 7.3389 119.7192 56.6423 41.6676 178.5526 24 L 4.3696 7.8860 119.3311 56.9079 41.7304 178.9088 25 G 3.8144 7.8787 107.0250 47.4836 0.0000 173.2107 26 L 4.8177 7.5673 119.6018 52.3993 44.6436 177.7604 27 G 3.7495 8.8787 110.6940 47.0472 0.0000 172.5576 28 L 3.7883 7.2916 121.6112 55.4117 41.6586 176.2767 29 R 4.6113 8.2985 123.3794 55.3341 34.3690 176.7042 30 R 3.6933 8.2432 118.0815 56.7934 28.3383 174.6667 31 I 4.3990 6.9446 114.7852 62.6358 38.4848 178.0409 32 G 3.4589 7.9974 111.9163 48.7275 0.0000 173.3405 33 H 4.1665 7.5720 119.2813 57.0305 30.2618 173.7694 34 T 4.6978 7.9407 118.7133 60.7823 70.8038 173.2801 35 V 4.3462 7.5920 126.2967 62.5486 33.2758 173.7023 36 E 5.4366 7.6596 116.0244 56.8474 33.0246 176.3834 37 R 4.4211 7.4430 119.4869 57.0152 35.2200 173.2607 38 E 4.4552 8.8716 122.6908 57.1338 30.4146 176.4193 39 D 4.6365 8.3996 124.7416 54.4810 41.5436 176.1706 40 T 4.1488 7.5852 112.5450 60.9058 68.5136 172.6579 41 P 4.3634 0.0000 0.0000 66.2521 31.1708 178.1209 42 A 4.0905 8.0472 119.7931 54.9699 18.2229 179.3175 43 I 3.7407 7.6013 115.3038 63.8877 36.7410 178.1882 44 R 3.9558 8.7712 120.1392 59.0812 29.8344 178.1891 45 G 4.0206 7.7512 104.7805 46.5504 0.0000 175.3837 46 M 4.0517 8.2616 120.1713 58.7579 32.2525 178.2093 47 I 3.8751 7.9959 119.9439 64.4924 37.1462 177.9981 48 N 4.3242 7.3798 114.1852 56.1573 38.3204 177.1742 49 A 4.1713 7.6375 121.4120 54.8554 18.8484 179.3423 50 V 4.0862 7.3341 115.6593 62.9486 32.1767 177.4447 51 S 4.1912 8.0983 112.3082 59.8357 62.5613 174.4679 52 F 4.7404 8.2034 120.9207 60.7665 40.0021 175.9676 53 M 4.7442 7.8213 115.3757 54.5125 32.3339 175.4531 54 V 4.7005 7.4728 118.3086 61.3974 34.7064 174.5108 55 K 4.6687 8.6581 125.6300 54.9253 35.3496 177.3738 56 V 4.1806 8.8574 115.4757 60.8782 33.8979 175.7959 57 E 4.3142 7.8745 117.5155 54.2588 28.5230 175.9846 58 E 4.1002 8.5936 124.5034 57.2944 29.4858 177.3609 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 A 8.26 4.41 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.36 4.18 0.00 1.89 1.66 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.49 7.81 3 T 8.06 4.65 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 1.20 0.00 0.00 4 I 8.19 3.87 2.04 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 1.41 0.92 0.90 0.00 0.00 5 K 8.80 3.79 0.00 2.02 2.11 0.00 1.67 0.00 0.00 1.86 0.00 0.00 3.24 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.53 1.40 7.81 6 I 8.11 5.02 1.84 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 1.52 0.56 0.93 0.00 0.00 7 T 7.70 4.02 4.21 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 1.19 0.00 0.00 8 Q 8.51 4.32 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.29 0.00 9 T 8.78 4.09 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 1.12 0.00 0.00 10 R 8.14 4.21 0.00 1.76 1.92 0.00 3.24 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 11 S 9.31 4.32 0.00 4.01 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.07 4.40 1.24 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 0.00 0.00 13 I 7.81 4.14 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 1.36 0.95 0.92 0.00 0.00 14 G 8.86 4.06 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 0.00 0.00 0.00 15 R 7.54 4.17 0.00 2.00 1.98 0.00 3.52 0.00 0.00 3.38 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 16 L 8.36 4.10 0.00 1.41 1.48 0.75 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.29 0.00 2.00 2.13 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 18 K 7.91 4.17 0.00 1.80 1.85 0.00 1.52 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.57 7.81 19 H 8.14 4.38 0.00 3.38 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.19 3.84 0.00 1.99 2.12 0.00 1.52 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.71 7.81 21 A 7.63 4.04 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.22 3.95 4.26 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 1.34 0.00 0.00 23 L 7.34 4.16 0.00 1.88 1.79 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.89 4.37 0.00 1.95 1.71 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.88 3.81 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 0.00 0.00 0.00 26 L 7.57 4.82 0.00 1.71 1.52 0.91 0.81 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 27 G 8.88 3.75 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 0.00 0.00 0.00 28 L 7.29 3.79 0.00 1.63 1.67 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.30 4.61 0.00 1.79 1.75 0.00 3.58 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 30 R 8.24 3.69 0.00 1.96 1.96 0.00 3.35 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 31 I 6.94 4.40 1.86 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 1.29 1.96 0.96 0.00 0.00 32 G 8.00 3.46 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 0.00 0.00 0.00 33 H 7.57 4.17 0.00 3.06 3.49 0.00 5.60 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.94 4.70 4.23 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 1.23 0.00 0.00 35 V 7.59 4.35 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 0.88 0.00 0.00 0.82 0.00 0.00 36 E 7.66 5.44 0.00 1.90 1.74 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 2.16 2.29 0.00 37 R 7.44 4.42 0.00 1.85 1.71 0.00 3.34 0.00 0.00 3.34 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 38 E 8.87 4.46 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 39 D 8.40 4.64 0.00 2.61 2.64 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 40 T 7.59 4.15 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 1.26 0.00 0.00 41 P 0.00 4.36 0.00 2.19 2.11 0.00 3.65 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 2.12 2.17 0.00 42 A 8.05 4.09 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 43 I 7.60 3.74 2.04 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 1.48 1.81 1.06 0.00 0.00 44 R 8.77 3.96 0.00 2.03 2.01 0.00 3.18 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 45 G 7.75 4.02 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 0.00 46 M 8.26 4.05 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 47 I 8.00 3.88 1.87 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 1.41 0.91 0.00 0.00 48 N 7.38 4.32 0.00 2.85 2.91 0.00 0.00 7.07 7.23 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 49 A 7.64 4.17 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 50 V 7.33 4.09 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 0.99 0.00 0.00 0.93 0.00 0.00 51 S 8.10 4.19 0.00 3.93 3.94 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 0.00 0.00 0.00 52 F 8.20 4.74 0.00 2.93 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 53 M 7.82 4.74 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.32 0.00 54 V 7.47 4.70 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 0.81 0.00 0.00 0.90 0.00 0.00 55 K 8.66 4.67 0.00 1.57 1.60 0.00 1.87 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.47 7.81 56 V 8.86 4.18 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 1.03 0.00 0.00 0.92 0.00 0.00 57 E 7.87 4.31 0.00 2.04 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 2.23 2.37 0.00 58 E 8.59 4.10 0.00 1.95 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 2.37 0.00