NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7322 8.2048 119.6896 54.4204 32.9585 174.8690 2 K 3.9698 7.4562 123.5859 54.2367 34.5265 175.2793 3 L 3.9008 8.6571 121.7528 58.7878 42.2260 177.6499 4 D 4.2472 8.1495 117.2738 57.7096 41.1012 177.9973 5 E 3.8606 7.9109 116.9630 59.7131 29.6869 179.0815 6 I 3.6397 7.5220 120.0111 63.4475 37.0227 178.3997 7 A 3.9554 7.7411 122.1281 54.9848 18.2382 179.8629 8 R 3.9109 7.6341 113.3506 59.4272 29.6209 178.7458 9 L 4.0906 8.3055 118.9944 57.2153 41.6800 179.0563 10 A 4.1985 7.5771 119.4922 55.7061 18.9020 178.6772 11 G 4.2281 8.0155 105.2587 46.3369 0.0000 173.6486 12 V 4.1745 8.0881 115.7476 59.5273 34.3488 175.3395 13 S 4.7238 8.2179 118.5655 57.1955 66.8217 174.6230 14 R 3.7622 8.4023 122.0495 59.5170 29.4353 177.9909 15 T 3.8314 7.4241 108.3613 64.0281 69.5914 176.8977 16 T 2.4800 7.1929 117.8474 65.7552 68.4476 176.2838 17 A 4.0187 7.9878 122.9100 55.0003 18.2487 179.3755 18 S 4.0660 7.3030 111.2777 61.8150 62.1975 176.2087 19 Y 4.5047 7.5652 119.3165 61.3907 37.8225 178.8654 20 V 3.6660 7.5645 117.5569 65.8010 31.3281 178.2226 21 I 3.8493 7.7256 119.2388 64.1849 37.1558 177.3837 22 N 4.7211 7.9502 114.3156 52.6802 39.0973 175.0008 23 G 3.8229 7.7077 107.4208 47.6714 0.0000 174.9826 24 K 4.4384 8.8317 116.7576 55.4815 33.0115 177.1949 25 A 4.1070 8.1004 122.3618 55.7384 18.0667 179.8972 26 K 3.8525 8.0127 114.8954 59.8417 32.2523 179.1134 27 Q 3.8625 7.6958 117.1890 56.9054 28.6556 177.1868 28 Y 4.1005 7.4663 116.0608 58.1851 36.4641 177.4454 29 R 4.6653 8.5965 119.3366 55.7575 30.2613 175.8817 30 V 4.6133 7.6158 108.4717 61.9871 32.8695 177.8934 31 S 4.0682 8.1259 115.8870 61.8468 63.0739 172.9376 32 D 4.7721 8.4812 118.3081 55.3961 47.3800 177.1354 33 K 3.9663 8.1569 118.6291 59.8944 32.0253 178.3588 34 T 4.1569 7.8172 113.3217 64.6214 68.7547 176.1656 35 V 3.7595 7.0142 121.1151 66.2072 30.9664 177.2537 36 E 3.6571 8.1465 116.4639 59.5005 29.3102 179.2181 37 K 3.9522 7.2999 116.7697 59.3929 32.6231 178.5129 38 V 3.8963 8.8657 119.0944 65.6386 31.6986 177.9222 39 M 4.0933 8.9570 119.4812 58.2776 31.5847 178.3974 40 A 4.1855 7.8356 121.0924 54.8466 18.3575 179.9924 41 V 3.7096 7.5263 116.9935 64.6725 32.1335 178.5008 42 V 3.6247 8.0998 119.7123 65.7455 31.2481 177.9546 43 R 4.1436 8.5834 117.2894 57.9986 29.8231 178.6160 44 E 3.8522 7.5569 119.4344 59.3823 29.6924 177.4934 45 H 4.4426 8.2194 113.6267 55.9568 29.1380 174.8507 46 N 4.2903 7.5038 116.2831 54.5641 37.8224 173.0913 47 Y 4.3945 8.1349 118.1491 57.1162 39.4202 173.9428 48 H 5.0432 7.8029 122.9823 53.0684 33.0432 171.2822 49 P 4.3242 0.0000 0.0000 62.3632 31.8785 175.5932 50 N 4.4760 8.2639 117.5861 52.5569 39.6509 174.2070 51 A 3.9539 8.1748 124.2342 52.7104 18.8904 175.4435 52 V 3.1496 8.3553 123.1411 62.6252 29.1101 170.9799 53 A 4.6228 8.0164 126.8933 49.2706 22.0067 175.4985 54 A 3.9483 8.8762 124.6005 52.6274 19.0452 178.5921 55 G 5.0129 8.0345 127.0700 46.7196 0.0000 171.8346 56 L 4.1120 7.4016 122.2487 58.0480 43.2162 178.1747 57 R 3.9743 8.1924 116.4937 58.9882 30.6085 177.6441 58 L 3.4708 8.8154 114.8257 56.5703 39.4296 173.9966 59 Q 3.9948 8.0077 122.5831 57.4424 29.6402 172.3512 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 M 8.20 4.73 0.00 1.61 1.94 0.00 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 2 K 7.46 3.97 0.00 2.02 1.71 0.00 1.83 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.50 7.81 3 L 8.66 3.90 0.00 1.75 1.66 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.15 4.25 0.00 2.77 2.57 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 5 E 7.91 3.86 0.00 2.08 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 0.00 2.29 2.13 0.00 6 I 7.52 3.64 1.91 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.83 0.91 0.00 0.00 7 A 7.74 3.96 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 8 R 7.63 3.91 0.00 1.96 2.03 0.00 3.03 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 9 L 8.31 4.09 0.00 1.75 1.77 0.81 0.80 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 10 A 7.58 4.20 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 11 G 8.02 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 0.00 0.00 0.00 0.00 12 V 8.09 4.17 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 0.81 0.00 0.00 0.84 0.00 0.00 13 S 8.22 4.72 0.00 3.68 3.65 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 14 R 8.40 3.76 0.00 1.80 1.87 0.00 3.13 0.00 0.00 3.35 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 15 T 7.42 3.83 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 1.12 0.00 0.00 16 T 7.19 2.48 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 1.18 0.00 0.00 17 A 7.99 4.02 1.26 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 0.00 0.00 0.00 18 S 7.30 4.07 0.00 4.11 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 19 Y 7.57 4.50 0.00 3.22 3.10 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 20 V 7.56 3.67 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 1.06 0.00 0.00 1.12 0.00 0.00 21 I 7.73 3.85 1.95 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.85 1.01 0.00 0.00 22 N 7.95 4.72 0.00 2.79 2.94 0.00 0.00 7.44 7.61 0.00 0.00 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 7.71 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.83 4.44 0.00 2.20 2.09 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.54 7.81 25 A 8.10 4.11 1.46 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 26 K 8.01 3.85 0.00 1.68 1.85 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.59 7.81 27 Q 7.70 3.86 0.00 1.01 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.69 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 28 Y 7.47 4.10 0.00 2.44 1.61 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.60 4.67 0.00 1.92 1.99 0.00 3.04 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 30 V 7.62 4.61 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 1.01 0.00 0.00 1.14 0.00 0.00 31 S 8.13 4.07 0.00 3.83 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.48 4.77 0.00 2.67 2.57 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 33 K 8.16 3.97 0.00 1.93 1.90 0.00 1.61 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.59 7.81 34 T 7.82 4.16 4.30 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 1.28 0.00 0.00 35 V 7.01 3.76 2.25 0.00 0.00 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 1.06 0.00 0.00 36 E 8.15 3.66 0.00 2.24 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 0.00 2.38 2.45 0.00 37 K 7.30 3.95 0.00 2.05 2.03 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.60 1.45 7.81 38 V 8.87 3.90 2.22 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 1.15 0.00 0.00 0.93 0.00 0.00 39 M 8.96 4.09 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.76 0.00 40 A 7.84 4.19 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 41 V 7.53 3.71 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 0.86 0.00 0.00 0.97 0.00 0.00 42 V 8.10 3.62 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 1.15 0.00 0.00 1.04 0.00 0.00 43 R 8.58 4.14 0.00 2.00 1.98 0.00 3.23 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 44 E 7.56 3.85 0.00 1.83 2.17 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 2.06 1.71 0.00 45 H 8.22 4.44 0.00 3.31 3.33 0.00 5.83 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.50 4.29 0.00 3.02 2.99 0.00 0.00 7.18 7.45 0.00 0.00 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 8.13 4.39 0.00 3.04 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 7.80 5.04 0.00 3.01 3.08 0.00 5.95 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.32 0.00 2.16 2.16 0.00 3.79 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 50 N 8.26 4.48 0.00 2.67 2.74 0.00 0.00 6.93 7.95 0.00 0.00 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 8.17 3.95 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 52 V 8.36 3.15 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 0.72 0.00 0.00 0.93 0.00 0.00 53 A 8.02 4.62 1.20 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 0.00 0.00 0.00 54 A 8.88 3.95 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 55 G 8.03 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.40 4.11 0.00 1.60 1.70 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.19 3.97 0.00 1.84 1.96 0.00 3.56 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 58 L 8.82 3.47 0.00 1.82 1.74 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.01 3.99 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.68 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00