NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3127 8.2649 123.5822 51.4585 19.9411 176.6153 2 V 3.3411 8.4827 115.9356 60.5266 31.9944 173.6684 3 Q 3.8431 8.8267 124.9500 56.9333 29.4442 176.0396 4 Q 4.5207 8.5581 123.5426 55.3963 30.6605 173.1360 5 N 5.0225 8.0202 112.6846 51.4317 40.4737 172.9456 6 K 4.3860 7.8675 117.2910 53.7546 34.7600 174.0168 7 P 4.6069 0.0000 0.0000 62.2906 32.6614 177.3958 8 T 4.1462 8.2888 109.6153 64.2200 67.6869 175.0886 9 R 4.1789 8.2824 121.5994 57.2328 32.1178 181.8628 10 S 3.1370 8.7312 112.8127 58.9425 63.6823 174.0911 11 K 3.9709 9.0988 135.0000 59.3426 32.9957 176.8023 12 R 4.2945 8.3767 117.8067 58.6284 30.7136 178.9659 13 G 3.5433 8.1121 105.7074 48.4743 0.0000 174.4295 14 M 4.1208 7.9536 119.1518 58.1555 32.2996 177.5300 15 R 4.1411 7.5809 111.9958 57.1748 29.1379 178.5789 16 R 4.3244 8.1540 118.9069 58.4717 30.4225 178.7089 17 S 4.0088 7.4618 112.3727 61.3116 62.6876 175.1129 18 H 4.8493 7.9129 114.3194 55.4822 28.8191 174.8128 19 D 4.5391 7.9817 118.9583 54.6696 40.5999 176.3211 20 A 4.6216 7.6166 122.9027 51.9006 19.2216 176.2744 21 L 4.8495 7.9497 117.9220 53.3404 45.6499 176.3576 22 T 4.3853 8.3001 110.1660 60.3210 69.8941 175.0920 23 A 4.3779 8.3464 132.5401 51.1965 18.6649 177.7553 24 V 3.5856 7.7520 113.7797 63.0324 32.3184 177.3063 25 T 4.3466 8.1644 113.7049 61.3026 70.2788 173.4630 26 S 4.6703 8.0152 113.9927 57.1170 65.1449 173.0561 27 L 4.4536 8.1400 127.6846 53.5051 42.2280 176.9353 28 S 3.8993 9.0556 119.2767 62.0020 62.8874 176.2514 29 V 3.0631 7.5979 119.8564 63.0248 28.3839 173.6220 30 D 4.5549 8.3053 127.1569 54.2163 39.5252 177.7924 31 K 4.0205 8.1514 121.2396 59.4127 32.2205 176.1231 32 T 4.4930 7.5972 113.7153 61.4180 70.1451 173.6258 33 S 4.3034 8.6986 122.3683 60.6704 63.3742 175.7363 34 G 4.1381 7.7170 104.5491 45.1733 0.0000 172.4877 35 E 4.2921 8.1667 119.1304 56.2980 29.5374 176.2869 36 K 4.8529 7.5531 121.1932 56.1404 34.0452 174.5949 37 H 4.7983 8.6010 114.3839 54.2552 33.1716 174.8238 38 L 3.9397 8.5358 121.5022 58.8719 40.1009 179.0432 39 R 4.3062 7.8053 114.4801 57.0831 33.9877 174.2926 40 H 4.2387 8.3178 118.0799 56.4510 29.8806 175.0239 41 H 4.1583 8.7964 127.6741 58.9230 29.7598 175.3556 42 I 4.5189 7.0654 117.9096 59.8910 40.6059 174.7217 43 T 3.9281 8.7658 122.3180 63.5635 66.8965 173.3549 44 A 4.5457 6.9146 120.0339 53.4104 22.0418 175.7013 45 D 4.5073 8.1853 112.8965 52.0424 39.8517 176.7123 46 G 3.9335 7.9779 107.7557 47.0131 0.0000 172.9247 47 Y 4.6444 7.6592 117.8676 57.6605 40.0630 173.0900 48 Y 3.8326 7.4618 118.9341 58.3602 40.7565 176.1797 49 R 4.3833 6.9255 116.8048 56.7700 34.3210 178.1519 50 G 4.3139 7.9546 114.8898 45.5661 0.0000 177.2037 51 R 4.7594 8.3173 123.1628 53.5145 29.9959 176.7350 52 K 4.4544 8.2009 130.9449 55.9580 30.6559 178.5973 53 V 3.8274 6.0742 107.7676 62.5722 31.8521 176.0861 54 I 4.5268 7.7711 112.4731 59.8988 39.1913 176.0069 55 A 4.1914 8.0355 124.0683 52.9500 18.9679 177.7300 56 K 4.4546 8.4470 118.3468 56.9439 32.2075 174.8046 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 4.31 1.27 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 2 V 8.48 3.34 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.93 0.00 0.00 3 Q 8.83 3.84 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.14 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 4 Q 8.56 4.52 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.53 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 5 N 8.02 5.02 0.00 2.81 2.74 0.00 0.00 6.19 7.13 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 6 K 7.87 4.39 0.00 1.90 1.82 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.49 7.81 7 P 0.00 4.61 0.00 2.24 2.24 0.00 3.70 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 2.07 1.98 0.00 8 T 8.29 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 1.21 0.00 0.00 9 R 8.28 4.18 0.00 1.85 1.86 0.00 3.28 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 10 S 8.73 3.14 0.00 3.96 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.10 3.97 0.00 1.71 1.85 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 12 R 8.38 4.29 0.00 2.05 1.93 0.00 3.36 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 13 G 8.11 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 14 M 7.95 4.12 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 15 R 7.58 4.14 0.00 2.14 2.19 0.00 3.02 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 16 R 8.15 4.32 0.00 2.00 2.01 0.00 3.58 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.52 0.00 17 S 7.46 4.01 0.00 3.94 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 18 H 7.91 4.85 0.00 3.17 3.33 0.00 5.71 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 7.98 4.54 0.00 2.79 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 20 A 7.62 4.62 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 21 L 7.95 4.85 0.00 1.58 1.53 0.92 0.82 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 22 T 8.30 4.39 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 1.22 0.00 0.00 23 A 8.35 4.38 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.75 3.59 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.99 0.00 0.00 25 T 8.16 4.35 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 1.21 0.00 0.00 26 S 8.02 4.67 0.00 3.79 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 27 L 8.14 4.45 0.00 1.77 1.57 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 28 S 9.06 3.90 0.00 3.97 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 29 V 7.60 3.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.89 0.00 0.00 30 D 8.31 4.55 0.00 2.83 2.79 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 31 K 8.15 4.02 0.00 1.76 1.98 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.74 7.81 32 T 7.60 4.49 4.46 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 1.19 0.00 0.00 33 S 8.70 4.30 0.00 3.97 3.99 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 34 G 7.72 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.17 4.29 0.00 1.96 1.93 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 2.32 2.18 0.00 36 K 7.55 4.85 0.00 1.85 1.75 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.63 7.81 37 H 8.60 4.80 0.00 3.48 3.18 0.00 5.91 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.54 3.94 0.00 1.97 1.97 0.93 0.40 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 39 R 7.81 4.31 0.00 1.74 1.93 0.00 3.29 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 40 H 8.32 4.24 0.00 3.15 3.25 0.00 5.75 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.80 4.16 0.00 2.88 3.28 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.07 4.52 1.88 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 1.24 1.15 0.98 0.00 0.00 43 T 8.77 3.93 4.20 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 0.00 0.00 0.00 1.21 0.00 0.00 44 A 6.91 4.55 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 45 D 8.19 4.51 0.00 2.93 2.91 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 46 G 7.98 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 47 Y 7.66 4.64 0.00 2.75 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 48 Y 7.46 3.83 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.93 4.38 0.00 1.63 1.58 0.00 3.22 0.00 0.00 3.21 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 50 G 7.95 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 0.00 0.00 0.00 0.00 51 R 8.32 4.76 0.00 1.80 1.89 0.00 3.25 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 52 K 8.20 4.45 0.00 1.80 1.25 0.00 2.02 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.47 7.81 53 V 6.07 3.83 2.11 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 0.77 0.00 0.00 1.05 0.00 0.00 54 I 7.77 4.53 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 1.25 0.83 0.92 0.00 0.00 55 A 8.04 4.19 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 56 K 8.45 4.45 0.00 2.03 2.02 0.00 2.20 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.52 7.81