NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9330 8.3544 109.7365 45.6776 0.0000 172.7894 0 S 4.3999 7.9225 111.4850 57.2568 63.6520 171.6946 1 E 4.5340 8.0274 118.5869 55.1876 31.8487 175.0616 2 Q 4.2075 8.5595 121.8017 57.3219 29.6331 176.3576 3 T 4.5818 9.0681 113.7780 62.3625 71.8055 173.1695 4 H 5.3124 8.0056 117.1885 54.1970 34.1835 172.1439 5 R 4.9974 8.9417 118.9909 54.4566 33.3848 174.2367 6 A 4.6345 8.8112 128.5068 52.1329 19.1670 177.6549 7 I 4.1671 8.6631 113.4800 60.4166 39.4020 175.6342 8 F 4.9995 7.5815 120.0669 55.2816 42.6529 174.5357 9 R 4.3486 8.7062 122.5570 56.4578 30.9993 175.4898 10 F 5.1638 9.3881 127.7502 56.7674 42.7138 173.1772 11 V 4.3581 8.0868 126.4860 60.1919 32.6649 173.7536 12 P 4.2805 0.0000 0.0000 62.9885 31.7369 176.3842 13 R 4.5095 9.1033 118.1029 55.5774 32.6080 175.4663 14 H 5.0376 8.0308 114.4505 53.3076 31.9310 174.0027 15 E 3.9292 9.0927 123.7684 59.5168 29.5021 177.6512 16 D 4.6695 8.0226 115.3306 53.8429 40.1445 175.6370 17 E 5.0131 7.9479 119.7459 56.4485 30.6463 175.7482 18 L 4.7797 9.0314 125.1968 53.2702 43.5068 175.8417 19 E 4.4958 8.9726 127.8091 56.3549 30.6842 175.6933 20 L 5.0741 9.2258 125.3307 53.0532 46.0013 175.3038 21 E 5.0556 9.0557 121.4730 53.9936 33.0154 175.9858 22 V 3.6607 8.2594 122.0418 64.7610 31.9627 176.0558 23 D 4.6607 8.8245 125.2119 54.2621 39.3188 174.1610 24 D 4.5707 7.8247 121.1611 53.6578 41.7718 173.9987 25 P 4.7999 0.0000 0.0000 62.6694 32.3968 175.6156 26 L 4.9988 9.0222 122.7419 52.7901 46.1542 175.3242 27 L 4.8944 8.9711 124.8524 53.6363 43.8941 174.8965 28 V 4.7292 8.9450 127.2805 61.3037 32.6317 175.2558 29 E 4.5949 9.0613 124.9627 55.8126 31.8777 175.5052 30 L 4.7920 7.5908 116.9031 52.3762 45.0482 176.6781 31 Q 4.3641 8.2375 121.7086 56.1767 29.4026 173.3463 32 A 4.3992 7.5906 114.6114 51.6387 21.6335 176.9626 33 E 3.8572 7.9456 119.8659 56.8376 28.8243 175.1937 34 D 4.4606 7.5200 115.2461 54.5009 41.8960 176.3816 35 Y 3.4872 7.5873 114.7965 58.7236 35.1315 167.8766 36 W 4.8692 7.4017 119.3530 55.0432 31.9095 174.6999 37 Y 4.7493 8.2487 121.7459 56.3237 40.0875 174.0718 38 E 5.1787 8.6847 122.8328 54.6599 31.8958 174.6033 39 A 4.8765 9.3954 127.4788 51.5585 23.9845 173.5845 40 Y 5.1472 8.7791 120.2226 56.3117 41.1862 175.3512 41 N 4.6868 8.9315 126.3777 54.1037 41.3517 175.7285 43 R 3.1337 8.3614 113.3048 58.9541 31.1602 177.3274 44 T 4.0452 7.7418 108.7567 61.9068 69.3559 175.9644 45 G 3.7597 8.3851 109.4636 45.1487 0.0000 173.2682 46 A 4.5108 7.4130 122.4531 51.4565 19.7753 176.5781 47 R 5.2276 9.1945 117.3110 53.9981 34.3741 176.0110 48 G 4.1002 7.5750 106.2210 46.9672 0.0000 171.3766 49 V 5.4029 8.0259 112.8568 60.1449 34.9321 175.2225 50 F 5.1854 8.7383 116.0634 54.9531 41.8349 171.9968 51 P 3.2790 0.0000 0.0000 62.1304 31.4805 177.0683 52 A 3.6178 8.4600 127.6621 55.7056 18.1267 178.5934 53 Y 4.5581 7.6860 109.0248 59.5454 38.0520 175.8397 54 Y 4.8032 8.8064 118.0747 58.5498 38.4192 174.5456 55 A 5.3380 8.1102 121.2537 50.1913 22.7630 175.6356 56 I 4.8402 8.6711 113.1854 58.5355 40.9060 175.0341 57 E 4.3506 8.8221 122.3539 56.2488 30.2991 176.8209 58 V 3.9544 8.4649 122.3626 61.9451 32.2717 175.5545 59 T 3.7569 7.6817 113.1623 59.6785 70.4526 173.4034 60 K 4.1620 8.3837 122.1198 57.1390 32.7652 175.8453 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 G 8.35 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 0 S 7.92 4.40 0.00 3.77 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 1 E 8.03 4.53 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 2 Q 8.56 4.21 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 3 T 9.07 4.58 4.22 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 0.00 0.00 0.00 1.24 0.00 0.00 4 H 8.01 5.31 0.00 3.05 3.25 0.00 5.75 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.94 5.00 0.00 1.79 1.67 0.00 3.05 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 6 A 8.81 4.63 1.16 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 0.00 0.00 7 I 8.66 4.17 1.27 0.00 0.00 0.59 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 -0.12 0.74 0.00 0.00 8 F 7.58 5.00 0.00 1.76 2.12 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 9 R 8.71 4.35 0.00 1.85 1.90 0.00 3.45 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 10 F 9.39 5.16 0.00 3.55 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 11 V 8.09 4.36 1.98 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 0.79 0.00 0.00 0.91 0.00 0.00 12 P 0.00 4.28 0.00 2.01 1.96 0.00 3.55 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 13 R 9.10 4.51 0.00 1.48 1.66 0.00 3.08 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 14 H 8.03 5.04 0.00 3.27 3.17 0.00 5.84 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.09 3.93 0.00 1.92 2.01 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 2.31 2.40 0.00 16 D 8.02 4.67 0.00 2.85 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.95 5.01 0.00 2.20 2.38 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 2.84 2.46 0.00 18 L 9.03 4.78 0.00 1.71 1.91 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.97 4.50 0.00 2.03 1.85 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 2.31 2.56 0.00 20 L 9.23 5.07 0.00 1.72 1.47 0.50 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.06 5.06 0.00 2.20 1.79 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 2.21 2.35 0.00 22 V 8.26 3.66 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.90 0.00 0.00 23 D 8.82 4.66 0.00 2.86 2.82 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 24 D 7.82 4.57 0.00 2.73 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.80 0.00 2.06 2.03 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 26 L 9.02 5.00 0.00 1.57 1.58 0.60 0.50 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 27 L 8.97 4.89 0.00 1.89 1.79 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.95 4.73 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 0.70 0.00 0.00 0.55 0.00 0.00 29 E 9.06 4.59 0.00 1.97 1.94 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 2.20 2.30 0.00 30 L 7.59 4.79 0.00 1.63 1.59 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.24 4.36 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 32 A 7.59 4.40 0.93 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 33 E 7.95 3.86 0.00 2.00 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 2.04 2.14 0.00 34 D 7.52 4.46 0.00 2.78 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 35 Y 7.59 3.49 0.00 3.21 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 36 W 7.40 4.87 0.00 3.10 2.92 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 0.00 0.00 0.00 37 Y 8.25 4.75 0.00 1.43 2.21 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 0.00 38 E 8.68 5.18 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 39 A 9.40 4.88 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.78 5.15 0.00 3.10 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 41 N 8.93 4.69 0.00 2.67 2.51 0.00 0.00 6.62 7.53 0.00 0.00 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 R 8.36 3.13 0.00 1.84 2.13 0.00 3.26 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 44 T 7.74 4.05 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 1.17 0.00 0.00 45 G 8.39 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.41 4.51 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 47 R 9.19 5.23 0.00 1.76 1.93 0.00 3.46 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.78 0.00 48 G 7.57 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 0.00 0.00 0.00 0.00 49 V 8.03 5.40 2.33 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 0.78 0.00 0.00 0.99 0.00 0.00 50 F 8.74 5.19 0.00 2.72 3.20 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 51 P 0.00 3.28 0.00 1.15 1.16 0.00 2.33 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.63 0.00 52 A 8.46 3.62 0.46 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 53 Y 7.69 4.56 0.00 3.13 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.81 4.80 0.00 3.39 3.03 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 55 A 8.11 5.34 1.34 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 0.00 0.00 0.00 0.00 0.00 56 I 8.67 4.84 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.69 0.93 0.00 0.00 57 E 8.82 4.35 0.00 1.87 1.94 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 2.28 2.29 0.00 58 V 8.46 3.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.91 0.00 0.00 59 T 7.68 3.76 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 1.20 0.00 0.00 60 K 8.38 4.16 0.00 1.83 1.75 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.39 7.81