NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.3133 8.1749 110.9362 60.5289 70.1364 173.0812 8 P 4.2675 0.0000 0.0000 60.6930 31.9315 174.8030 9 T 4.4540 8.5424 113.9357 59.8732 71.6594 173.7059 10 A 4.3711 8.2130 126.2606 51.7792 19.6650 177.5719 11 C 4.9313 8.3796 118.2342 55.1109 44.2028 174.0814 12 C 4.8454 8.1838 118.2905 55.3876 41.8014 174.1576 13 F 4.4492 8.5978 122.1557 57.1698 40.2708 175.1262 14 S 4.6181 7.6232 113.3213 56.4273 66.1292 172.5383 15 Y 5.1945 8.0368 117.1482 56.0569 41.0770 175.8176 16 T 4.1087 8.8181 118.9185 62.4631 68.2422 174.2450 17 S 4.3681 8.8862 122.5909 60.9034 62.8610 174.3680 18 R 4.4420 7.6315 117.4416 53.8701 31.4594 175.8377 19 Q 2.0000 8.1205 121.7395 56.0218 29.0868 176.6393 20 I 3.8181 6.3996 125.8486 59.7582 38.0860 173.7703 21 P 3.9168 0.0000 0.0000 62.7584 31.4687 176.8998 22 Q 3.4646 8.5806 124.9592 58.9836 28.9890 177.8351 23 N 4.4216 7.5814 113.2284 55.0707 38.8864 175.9015 24 F 4.6954 8.0628 117.4532 59.4422 39.3596 175.3173 25 I 4.3708 7.6743 122.4349 61.0583 37.2543 175.2725 26 A 4.5677 9.0180 127.8050 53.8206 20.3952 176.3147 27 A 4.5960 7.5514 114.6603 51.6869 22.6974 174.7266 28 Y 4.9024 7.8773 115.9696 55.5133 41.2952 174.6728 29 F 4.6205 8.7263 118.7755 55.9199 43.8745 173.4868 30 E 5.0765 8.6676 120.1453 55.1442 31.1426 176.2507 31 T 4.1736 8.1816 113.1918 61.0328 70.1941 174.4280 32 S 4.0700 8.7912 117.5674 58.9792 62.6510 175.3966 33 S 4.3877 8.5618 120.4977 60.0937 63.0386 175.2912 34 Q 4.0901 8.2603 121.0024 58.9237 28.6488 176.2916 35 C 4.5272 7.7064 114.5206 56.7040 40.8508 174.0755 36 S 4.2199 8.6317 116.3143 60.6573 63.0982 174.8003 37 K 4.6089 7.4794 118.4509 53.4142 33.8575 174.4519 38 P 4.4875 0.0000 0.0000 62.9734 32.3051 176.0213 39 G 4.3674 8.1880 106.3570 45.1529 0.0000 171.6686 40 V 4.8058 8.8468 122.1828 60.7366 34.6236 174.2482 41 I 4.8979 8.8429 128.7816 59.7637 39.2980 174.5974 42 F 5.1771 9.1747 127.0158 56.4069 41.0187 174.5663 43 L 5.2938 9.2004 126.0083 53.8320 44.0724 176.2195 44 T 4.9631 8.7728 116.9444 60.3971 70.8797 175.8475 45 K 4.1549 9.0736 121.1481 58.5297 31.8876 178.3088 46 R 4.4383 8.0506 117.9416 55.3923 30.0886 176.6801 47 S 4.2034 8.0327 112.0662 59.4975 61.1611 172.0824 48 R 4.3634 7.4011 120.2069 56.1039 31.2853 174.8661 49 Q 5.2787 8.7062 124.1501 54.2478 31.0944 175.0243 50 V 4.5604 8.9142 123.6779 61.1497 34.7630 173.8607 51 C 5.1185 9.0471 125.4319 57.0398 39.5121 172.5125 52 A 5.0883 9.4375 124.3209 49.9921 23.2233 174.8601 53 D 3.6539 7.9134 119.2788 52.8565 41.1699 175.5563 54 P 4.1753 0.0000 0.0000 64.2929 31.3750 176.9959 55 S 4.7073 8.6452 112.0556 57.2271 64.1102 174.5177 56 E 4.2480 7.6291 122.7443 55.0272 31.3153 176.3392 57 E 3.8865 8.7221 123.0285 59.6861 29.3440 179.6559 58 W 4.1420 8.0601 117.7845 58.7638 28.0302 177.9772 59 V 2.8757 6.2371 118.3917 65.7371 30.5386 177.9647 60 Q 3.9007 7.6582 117.1933 58.4566 28.4015 178.4711 61 K 3.9774 8.2186 120.8916 59.8732 32.2898 178.3871 62 Y 4.1339 8.6142 117.3429 61.1800 37.7725 178.9411 63 V 3.1176 7.7370 118.7359 65.6488 31.4687 177.8983 64 S 4.0122 8.1650 113.0098 61.6409 62.0525 175.6500 65 D 4.3606 8.0022 120.1260 57.5201 40.6424 178.8816 66 L 4.1559 7.7750 117.9490 58.0352 41.8028 179.1083 67 E 4.1756 8.1480 116.9642 58.5802 29.4453 177.7267 68 L 4.4530 7.9903 122.7189 54.7478 42.1869 176.1294 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 7 T 8.17 4.31 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 1.19 0.00 0.00 8 P 0.00 4.27 0.00 2.14 2.01 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 9 T 8.54 4.45 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 1.19 0.00 0.00 10 A 8.21 4.37 1.22 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 0.00 0.00 0.00 11 C 8.38 4.93 0.00 2.61 2.26 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 12 C 8.18 4.85 0.00 2.83 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 13 F 8.60 4.45 0.00 2.99 2.96 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 0.00 0.00 0.00 14 S 7.62 4.62 0.00 3.91 3.79 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 15 Y 8.04 5.19 0.00 3.01 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.82 4.11 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 17 S 8.89 4.37 0.00 3.94 3.91 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 18 R 7.63 4.44 0.00 1.74 1.73 0.00 3.30 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 19 Q 8.12 2.00 0.00 0.93 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.94 0.00 0.00 0.00 0.00 0.00 1.74 1.16 0.00 20 I 6.40 3.82 1.78 0.00 0.00 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 1.47 0.58 1.03 0.00 0.00 21 P 0.00 3.92 0.00 0.49 1.34 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.86 0.00 22 Q 8.58 3.46 0.00 1.39 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.94 0.00 0.00 0.00 0.00 0.00 1.98 1.37 0.00 23 N 7.58 4.42 0.00 2.53 2.81 0.00 0.00 6.94 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 24 F 8.06 4.70 0.00 3.16 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 25 I 7.67 4.37 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.47 1.02 0.00 0.00 26 A 9.02 4.57 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 27 A 7.55 4.60 1.08 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 0.00 0.00 0.00 0.00 0.00 28 Y 7.88 4.90 0.00 2.67 2.96 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 0.00 0.00 0.00 29 F 8.73 4.62 0.00 2.92 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 30 E 8.67 5.08 0.00 1.88 1.88 0.00 0.00 0.00 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 2.42 0.00 31 T 8.18 4.17 4.18 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 1.18 0.00 0.00 32 S 8.79 4.07 0.00 3.85 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 33 S 8.56 4.39 0.00 4.01 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 34 Q 8.26 4.09 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 35 C 7.71 4.53 0.00 3.02 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 36 S 8.63 4.22 0.00 4.04 4.07 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 37 K 7.48 4.61 0.00 1.79 1.78 0.00 1.76 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.44 7.81 38 P 0.00 4.49 0.00 2.05 1.97 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 39 G 8.19 4.37 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 0.00 40 V 8.85 4.81 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.75 0.00 0.00 41 I 8.84 4.90 2.10 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.70 1.11 0.00 0.00 42 F 9.17 5.18 0.00 3.18 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 43 L 9.20 5.29 0.00 2.03 1.74 1.15 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.77 4.96 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 45 K 9.07 4.15 0.00 1.79 1.94 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.52 1.47 7.81 46 R 8.05 4.44 0.00 1.81 1.88 0.00 3.41 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 47 S 8.03 4.20 0.00 4.04 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 48 R 7.40 4.36 0.00 1.79 1.83 0.00 3.09 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 49 Q 8.71 5.28 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.47 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 50 V 8.91 4.56 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 1.11 0.00 0.00 51 C 9.05 5.12 0.00 3.05 3.25 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 0.00 0.00 0.00 0.00 52 A 9.44 5.09 1.18 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 0.00 0.00 53 D 7.91 3.65 0.00 1.58 2.14 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 54 P 0.00 4.18 0.00 1.96 1.97 0.00 3.47 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 55 S 8.65 4.71 0.00 3.81 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 0.00 56 E 7.63 4.25 0.00 1.48 1.68 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 2.14 2.00 0.00 57 E 8.72 3.89 0.00 2.19 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 0.00 2.42 2.49 0.00 58 W 8.06 4.14 0.00 3.24 3.22 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 0.00 59 V 6.24 2.88 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 -0.75 0.00 0.00 60 Q 7.66 3.90 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 61 K 8.22 3.98 0.00 1.98 2.21 0.00 1.92 0.00 0.00 1.92 0.00 0.00 3.13 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.72 7.81 62 Y 8.61 4.13 0.00 3.19 2.94 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 63 V 7.74 3.12 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 0.28 0.00 0.00 0.55 0.00 0.00 64 S 8.16 4.01 0.00 3.89 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 65 D 8.00 4.36 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.77 4.16 0.00 1.89 1.85 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.15 4.18 0.00 2.18 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 0.00 2.55 2.56 0.00 68 L 7.99 4.45 0.00 1.58 1.54 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00