NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4659 8.3349 117.0954 57.4301 64.0608 173.5843 3 E 4.0079 8.5605 124.4377 54.9126 30.2209 175.6273 4 S 4.3614 10.2472 119.6290 58.5422 64.5256 175.4075 5 L 4.0185 8.6901 123.1547 57.8652 41.5933 178.3371 6 L 4.5600 7.9107 115.8484 54.8569 42.1786 177.3461 7 Y 4.3364 8.4183 122.2781 61.1016 38.5887 178.7249 8 G 3.5648 8.2680 105.9315 47.7547 0.0000 174.7504 9 Y 4.0098 7.9208 121.3294 60.7208 38.8956 178.2132 10 F 4.2441 8.2618 120.1231 59.5793 38.8942 177.5338 11 L 3.6763 7.9230 120.4612 58.1219 41.7398 178.5577 12 D 4.2588 8.3357 118.6119 57.3322 40.6054 178.3905 13 S 4.5188 7.7330 115.9890 60.3315 62.9722 176.4398 14 W 4.0903 8.1823 132.2143 60.4169 30.5273 178.1004 15 L 3.5177 7.9844 119.4687 57.1152 40.8820 178.2334 16 D 4.6559 8.1335 117.5147 53.1000 39.4418 177.8855 17 G 2.5451 6.9871 107.5770 45.7735 0.0000 174.8466 18 T 3.9917 7.7306 116.3974 65.8045 68.8802 175.2300 19 A 4.5687 7.8641 123.1177 51.4728 19.8465 176.6718 20 S 4.8932 8.3037 114.2881 55.8557 67.4454 174.8844 21 E 4.0536 8.7754 121.5949 59.4463 29.2683 178.0483 22 E 3.9062 8.2624 118.8697 59.2867 29.6283 178.5096 23 L 3.9726 8.0035 120.1731 58.2370 42.1363 178.9152 24 L 3.7590 8.0472 118.9465 57.6233 41.3794 179.5157 25 R 3.8063 8.1710 118.8740 59.3300 29.9335 178.7326 26 V 3.5296 7.7788 117.8475 65.9878 31.4437 177.8949 27 A 3.8579 7.8953 120.5524 54.9148 18.0680 179.8105 28 V 4.1930 7.8324 118.3759 65.9084 31.4295 178.0154 29 N 4.3299 8.1663 114.8936 56.2341 38.4731 176.7714 30 A 4.2431 8.2011 120.6075 52.5271 18.5359 177.9429 31 G 3.8406 7.7558 105.1156 46.5812 0.0000 174.5820 32 D 4.7429 8.3269 120.7019 54.8949 41.8052 176.8438 33 L 4.9552 7.3714 118.0050 52.2864 45.9475 175.5643 34 T 4.5922 8.8021 112.3839 60.7537 71.4642 175.8339 35 Q 3.8939 8.4770 122.2965 59.3500 28.9634 178.0936 36 E 3.8902 8.1447 119.7376 59.4447 29.6093 178.5511 37 E 4.0402 8.3378 118.2458 59.3914 29.5633 179.1821 38 A 3.8922 8.1860 120.8560 55.2502 18.1946 179.3995 39 D 4.2387 8.0738 116.5314 57.2938 41.1605 178.9677 40 K 4.1530 8.2913 119.0333 59.5868 32.1737 179.2594 41 I 3.6110 8.0459 120.3596 64.7993 36.8614 178.1598 42 M 3.0919 7.3799 116.5937 56.9192 31.7148 178.3899 43 S 4.2965 7.7261 115.2724 60.2332 63.2384 174.2109 44 Y 4.3931 7.4106 118.8184 56.2894 38.7828 173.3598 45 P 4.5735 0.0000 0.0000 61.8710 31.7164 175.7633 46 W 3.4651 8.9391 134.2460 58.2458 30.8473 175.6142 47 G 3.0655 7.4908 113.0207 45.8760 0.0000 174.1105 48 A 4.0527 7.3585 124.1081 54.7578 18.4291 178.7660 49 W 4.8229 7.8017 118.7418 57.3449 28.9853 176.0025 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 2 S 8.33 4.47 0.00 3.65 3.73 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 3 E 8.56 4.01 0.00 2.04 1.90 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 1.94 2.27 0.00 4 S 10.25 4.36 0.00 4.05 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 5 L 8.69 4.02 0.00 1.66 1.77 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.91 4.56 0.00 1.98 1.74 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.42 4.34 0.00 3.21 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 8.27 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.01 0.00 2.87 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 10 F 8.26 4.24 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 3.68 0.00 1.02 1.43 -0.11 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.34 4.26 0.00 2.85 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 13 S 7.73 4.52 0.00 4.03 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 4.09 0.00 3.47 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 15 L 7.98 3.52 0.00 0.92 0.13 0.24 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.13 4.66 0.00 2.94 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 17 G 6.99 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 3.99 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 19 A 7.86 4.57 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.89 0.00 4.01 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 21 E 8.78 4.05 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 22 E 8.26 3.91 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 23 L 8.00 3.97 0.00 1.84 1.90 1.12 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.05 3.76 0.00 1.80 1.56 0.57 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.17 3.81 0.00 1.85 2.12 0.00 3.09 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 26 V 7.78 3.53 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 1.07 0.00 0.00 0.99 0.00 0.00 27 A 7.90 3.86 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 7.83 4.19 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 1.14 0.00 0.00 0.90 0.00 0.00 29 N 8.17 4.33 0.00 2.88 2.86 0.00 0.00 7.08 8.19 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 30 A 8.20 4.24 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 31 G 7.76 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 32 D 8.33 4.74 0.00 2.87 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 33 L 7.37 4.96 0.00 1.55 1.49 0.61 0.98 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 8.80 4.59 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 35 Q 8.48 3.89 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 36 E 8.14 3.89 0.00 2.10 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 2.34 2.44 0.00 37 E 8.34 4.04 0.00 2.32 2.32 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 2.13 2.29 0.00 38 A 8.19 3.89 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 39 D 8.07 4.24 0.00 2.81 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 8.29 4.15 0.00 2.16 2.07 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.71 7.81 41 I 8.05 3.61 1.71 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.94 0.34 0.00 0.00 42 M 7.38 3.09 0.00 1.75 1.86 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.31 0.00 43 S 7.73 4.30 0.00 3.99 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 44 Y 7.41 4.39 0.00 3.19 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 45 P 0.00 4.57 0.00 2.25 2.28 0.00 3.94 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 46 W 8.94 3.47 0.00 2.50 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 7.49 3.07 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 0.00 0.00 0.00 48 A 7.36 4.05 1.12 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 0.00 0.00 49 W 7.80 4.82 0.00 3.20 2.84 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