NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3523 8.4449 121.4655 55.5880 31.0462 175.5288 4 S 4.1824 9.3707 122.9485 57.9887 63.5041 174.0078 5 L 4.0198 9.5087 125.3689 57.8713 42.6459 177.8734 6 L 4.5141 7.9207 116.0769 54.9248 42.1212 177.4320 7 Y 4.2943 8.4509 122.2994 61.0867 38.5724 178.7400 8 G 3.5748 8.2820 105.9551 47.7093 0.0000 174.6939 9 Y 4.0093 7.9895 121.3398 60.7809 38.8157 178.3251 10 F 4.3649 8.1741 119.8831 59.6667 38.9068 177.5176 11 L 3.6710 7.9487 120.4776 58.0920 41.7889 178.5146 12 D 4.3084 8.3118 118.6035 57.3720 41.0018 178.4300 13 S 4.2112 7.7194 114.3106 60.8558 62.9767 176.4478 14 W 4.2347 8.2561 132.1281 60.5105 30.5184 178.1483 15 L 3.5825 8.1619 119.4499 56.8744 40.5597 178.1368 16 D 4.7657 7.8049 116.8477 52.7169 39.8001 177.2769 17 G 2.7344 7.2130 108.1318 45.9224 0.0000 174.7619 18 T 4.1281 7.7148 109.9242 62.5882 69.5573 175.0182 19 A 4.6385 7.9710 125.3243 50.9934 20.2670 177.3008 20 S 4.6944 8.3548 117.1908 56.5975 66.6741 174.9923 21 E 4.0282 8.6202 121.5411 59.4772 29.2213 178.0128 22 E 3.8863 8.2163 118.8450 59.2766 29.6474 178.5355 23 L 3.9718 7.7825 119.7914 58.1302 42.1255 178.8041 24 L 3.7474 8.0137 118.9512 57.8778 41.4311 179.7253 25 R 3.8363 8.1848 118.0836 59.1094 29.9216 179.2537 26 V 3.5194 7.7031 117.8246 65.9808 31.5099 177.9799 27 A 3.8660 7.8298 120.4807 55.0042 18.0671 179.7811 28 V 4.1798 7.8555 118.3781 65.7545 31.3908 177.8018 29 N 4.2860 8.1700 115.6558 56.5669 38.8853 176.3212 30 A 4.2173 8.0488 120.8118 52.8826 18.5208 178.3648 31 G 3.8698 7.7504 105.0250 46.0872 0.0000 174.3991 32 D 4.6700 8.1307 120.0377 55.3531 41.5869 176.6406 33 L 4.9850 7.3919 118.0383 52.2228 45.9403 175.7937 34 T 4.5747 8.7794 112.3079 60.8411 71.3544 175.8997 35 Q 3.9156 8.4319 122.0085 59.4088 28.9944 178.1202 36 E 3.9359 8.1547 119.0800 59.5344 29.4469 179.1067 37 E 4.0465 8.3632 118.2713 59.3694 29.4835 179.2273 38 A 3.8734 8.1210 120.8116 55.2502 18.1886 179.4187 39 D 4.1923 8.0948 116.5964 57.2652 41.1391 178.8692 40 K 4.1533 8.3613 119.2403 59.5750 32.1560 179.2345 41 I 3.5732 8.0347 120.3039 64.7724 36.8571 178.1890 42 M 3.2644 7.5313 117.1164 56.7344 31.7495 178.1556 43 S 4.3313 7.7513 113.9514 59.4822 63.6563 173.9019 44 Y 4.5399 7.3478 120.4604 56.0258 39.3144 173.2712 45 P 4.5735 0.0000 0.0000 61.9507 31.9933 175.7651 46 W 3.3362 8.8633 133.9113 58.2876 31.0637 175.6893 47 G 3.1704 7.7838 112.2999 45.6435 0.0000 174.6359 48 A 3.9309 7.4152 124.1671 54.9981 18.2529 180.1824 49 W 4.7978 7.9484 114.2475 59.1251 29.3782 176.1228 50 N 4.5364 8.1301 120.4901 53.2889 38.0591 174.7342 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 3 E 8.44 4.35 0.00 1.86 1.91 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 2.21 2.29 0.00 4 S 9.37 4.18 0.00 4.13 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 5 L 9.51 4.02 0.00 1.66 1.76 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.92 4.51 0.00 1.97 1.72 0.95 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.45 4.29 0.00 3.24 3.09 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 8 G 8.28 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 9 Y 7.99 4.01 0.00 2.89 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.17 4.36 0.00 3.11 2.98 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 11 L 7.95 3.67 0.00 1.00 1.45 -0.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.31 4.31 0.00 2.87 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 13 S 7.72 4.21 0.00 4.07 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.26 4.23 0.00 3.39 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.16 3.58 0.00 0.96 0.13 0.10 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.80 4.77 0.00 2.82 2.93 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 17 G 7.21 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 0.00 0.00 0.00 18 T 7.71 4.13 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 19 A 7.97 4.64 1.58 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 20 S 8.35 4.69 0.00 3.98 4.01 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 21 E 8.62 4.03 0.00 2.16 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 2.37 2.35 0.00 22 E 8.22 3.89 0.00 2.06 1.95 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 2.38 2.37 0.00 23 L 7.78 3.97 0.00 1.88 1.89 1.02 1.08 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 24 L 8.01 3.75 0.00 1.79 1.53 0.54 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.18 3.84 0.00 2.00 1.95 0.00 3.11 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 26 V 7.70 3.52 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 1.03 0.00 0.00 0.95 0.00 0.00 27 A 7.83 3.87 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 28 V 7.86 4.18 2.13 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 1.12 0.00 0.00 0.94 0.00 0.00 29 N 8.17 4.29 0.00 2.82 2.91 0.00 0.00 7.25 8.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.05 4.22 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 31 G 7.75 3.87 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 0.00 0.00 0.00 32 D 8.13 4.67 0.00 2.76 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 33 L 7.39 4.98 0.00 1.53 1.47 0.56 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.78 4.57 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 1.22 0.00 0.00 35 Q 8.43 3.92 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 36 E 8.15 3.94 0.00 2.07 1.97 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 2.38 2.45 0.00 37 E 8.36 4.05 0.00 2.28 2.34 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 2.20 2.31 0.00 38 A 8.12 3.87 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 39 D 8.09 4.19 0.00 2.80 2.71 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 0.00 0.00 0.00 0.00 40 K 8.36 4.15 0.00 2.17 2.11 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.62 7.81 41 I 8.03 3.57 1.68 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.89 0.27 0.00 0.00 42 M 7.53 3.26 0.00 1.73 1.86 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.06 0.00 43 S 7.75 4.33 0.00 4.00 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 44 Y 7.35 4.54 0.00 3.22 3.01 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 45 P 0.00 4.57 0.00 2.26 2.27 0.00 3.93 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 46 W 8.86 3.34 0.00 2.38 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.78 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 0.00 0.00 0.00 48 A 7.42 3.93 1.17 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 0.00 0.00 49 W 7.95 4.80 0.00 3.24 3.01 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 50 N 8.13 4.54 0.00 2.59 2.64 0.00 0.00 6.82 7.08 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