NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2051 8.2993 120.1364 55.9248 32.2710 175.3489 2 P 4.2931 0.0000 0.0000 60.8771 30.3852 170.1786 3 V 4.0212 7.8433 118.9764 59.9903 32.3326 177.7269 4 S 5.0248 8.3023 121.0877 56.5685 62.8526 173.1662 5 L 4.8969 8.2173 126.0789 53.5399 45.4455 175.1741 6 S 4.6255 8.6562 118.7189 58.4663 64.9160 173.2958 7 Y 3.8742 8.6457 126.3325 58.4677 36.7526 169.9678 8 R 4.3268 7.8865 118.5815 55.3884 30.7697 175.8062 9 C 4.8849 8.4840 122.8416 54.5300 42.1509 171.8877 10 P 4.1970 0.0000 0.0000 65.2304 31.0287 176.9596 11 C 4.8380 8.3590 116.1770 55.5458 40.6736 173.5672 12 R 4.1362 8.7528 124.1413 57.6728 30.6074 177.3060 13 F 4.8789 8.0769 114.5317 55.6500 40.8633 174.9872 14 F 5.2170 8.2486 117.4337 54.6352 40.7101 174.2283 15 E 4.0872 9.5451 124.8645 56.2511 29.8581 176.6727 16 S 4.8312 8.5772 118.7311 58.4155 63.5679 173.5850 17 H 4.9073 9.0213 119.3020 55.8305 29.9972 174.4352 18 V 3.8050 7.9280 117.4674 61.9614 31.9449 175.2129 19 A 4.4037 8.1595 124.7154 49.8614 21.7211 177.0488 20 R 2.8097 7.1036 121.8940 58.7259 30.2789 178.5859 21 A 3.8828 7.5611 119.5568 54.3054 18.7149 177.4452 22 N 4.4911 7.9639 114.1469 54.8063 39.7701 175.1393 23 V 4.1493 7.0133 118.8294 62.6860 31.9017 175.6841 24 K 4.4099 9.4183 128.5422 59.5351 32.7732 176.7401 25 H 5.0577 7.6624 112.2389 55.8144 31.4286 172.7402 26 L 5.3163 8.6366 118.6049 53.0159 44.7265 176.0559 27 K 4.5089 9.0370 122.5631 54.8961 35.3257 174.8346 28 I 4.8407 8.4007 128.5651 59.7910 38.2522 175.6511 29 L 4.3249 8.6515 127.9532 54.2311 43.2902 176.4848 30 N 4.7868 8.6453 120.7250 52.7356 40.0806 173.6086 31 T 4.7669 8.1831 116.9810 59.2372 70.2177 172.4535 32 P 4.3315 0.0000 0.0000 65.0927 32.1424 176.5029 33 N 4.8043 7.5362 115.0782 51.2609 38.6929 172.7342 34 C 4.8954 7.4254 116.4296 55.1785 44.9674 173.8144 35 A 4.1310 8.0832 124.3528 51.2841 18.7600 176.2468 36 C 3.8695 8.4469 119.6052 60.3844 32.0642 173.1664 37 Q 4.3690 8.6010 126.3128 55.1262 29.9759 174.9962 38 I 4.8630 8.2702 124.6644 59.3670 40.6560 174.5115 39 V 4.7727 9.0138 126.7627 61.0277 34.2680 173.9398 40 A 5.1397 9.1630 129.4007 50.2156 21.5404 175.0371 41 R 4.6860 8.6773 123.6778 54.8542 31.7704 175.4594 42 L 5.2212 8.3865 126.6734 53.0528 43.9939 176.4730 43 K 3.6870 8.9801 121.3026 58.3122 33.4122 176.8606 44 N 4.1228 9.2271 119.5828 55.1610 39.8020 174.3825 45 N 4.4880 7.8828 118.1763 54.9989 39.6115 175.3239 46 N 4.7680 7.6414 115.1714 51.9473 40.6721 173.4651 47 R 4.6454 7.9835 115.0655 54.9975 32.0422 173.7161 48 Q 5.0022 8.4241 118.4784 55.3610 30.4230 176.1322 49 V 4.6621 9.1589 118.6359 59.7707 36.5633 173.3160 50 C 5.3440 8.7641 122.3632 55.1802 45.8828 172.5980 51 I 4.9728 8.9001 119.4691 59.2091 40.7492 173.6006 52 D 4.8136 8.1371 119.7784 51.6577 43.9193 175.2934 53 P 4.2641 0.0000 0.0000 64.0994 31.4991 177.4428 54 K 3.8605 8.1734 119.5253 59.2047 32.2163 177.6160 55 L 3.8782 7.3830 119.4418 54.6201 42.0523 178.0016 56 K 3.9413 8.7497 125.2341 59.1813 32.2547 178.7475 57 W 5.1969 7.9686 117.8445 58.9211 28.1616 178.3473 58 I 3.1797 6.5265 120.7694 64.3071 36.3683 178.3808 59 Q 4.0179 7.8241 118.2578 58.8475 28.6156 178.4501 60 E 4.0524 8.1376 119.4216 59.1409 29.3267 178.5755 61 Y 4.0502 8.1882 120.0953 60.7695 38.9209 178.2812 62 L 4.1497 8.1208 120.4044 58.6633 40.5680 178.8406 63 E 3.9894 8.5752 119.8745 59.1748 29.0918 179.2861 64 K 4.0555 7.8916 117.5186 59.0908 32.1240 178.6197 65 C 4.5221 7.9875 116.5294 60.7462 28.4510 173.6640 66 L 4.1607 7.4309 121.6698 54.6316 40.8694 177.4298 67 N 4.1197 9.2794 119.5873 52.4882 37.1050 174.5515 68 K 4.2703 7.8545 124.2218 56.8953 33.8058 174.4493 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 K 8.30 4.21 0.00 1.78 1.89 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.45 7.81 2 P 0.00 4.29 0.00 2.25 2.10 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 3 V 7.84 4.02 2.09 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 0.87 0.00 0.00 0.94 0.00 0.00 4 S 8.30 5.02 0.00 3.86 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 5 L 8.22 4.90 0.00 1.62 1.52 0.94 1.06 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 6 S 8.66 4.63 0.00 3.91 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.65 3.87 0.00 3.15 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 8 R 7.89 4.33 0.00 1.82 1.88 0.00 3.25 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 9 C 8.48 4.88 0.00 2.97 3.14 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 10 P 0.00 4.20 0.00 2.04 2.15 0.00 3.79 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 2.03 2.14 0.00 11 C 8.36 4.84 0.00 3.12 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 12 R 8.75 4.14 0.00 1.76 1.67 0.00 3.16 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 1.56 1.76 0.00 13 F 8.08 4.88 0.00 2.99 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 14 F 8.25 5.22 0.00 2.99 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 15 E 9.55 4.09 0.00 2.13 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 2.35 2.44 0.00 16 S 8.58 4.83 0.00 3.97 3.41 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 0.00 17 H 9.02 4.91 0.00 3.06 3.45 0.00 5.76 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.93 3.80 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 1.17 0.00 0.00 1.22 0.00 0.00 19 A 8.16 4.40 1.07 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 20 R 7.10 2.81 0.00 0.67 1.35 0.00 3.55 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 21 A 7.56 3.88 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 22 N 7.96 4.49 0.00 2.73 2.91 0.00 0.00 6.66 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 V 7.01 4.15 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 0.96 0.00 0.00 1.10 0.00 0.00 24 K 9.42 4.41 0.00 1.64 1.90 0.00 1.92 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.47 7.81 25 H 7.66 5.06 0.00 3.21 3.44 0.00 5.57 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 26 L 8.64 5.32 0.00 1.34 1.42 0.06 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.04 4.51 0.00 1.81 1.63 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.40 7.81 28 I 8.40 4.84 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.98 0.87 0.00 0.00 29 L 8.65 4.32 0.00 1.48 1.58 0.95 1.30 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 30 N 8.65 4.79 0.00 2.75 2.70 0.00 0.00 6.48 7.20 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 31 T 8.18 4.77 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 1.21 0.00 0.00 32 P 0.00 4.33 0.00 2.02 2.13 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 33 N 7.54 4.80 0.00 2.37 2.10 0.00 0.00 6.79 7.42 0.00 0.00 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 C 7.43 4.90 0.00 2.88 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 35 A 8.08 4.13 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 36 C 8.45 3.87 0.00 2.92 2.83 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 37 Q 8.60 4.37 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.57 0.00 0.00 0.00 0.00 0.00 2.52 2.30 0.00 38 I 8.27 4.86 1.72 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.94 0.74 0.00 0.00 39 V 9.01 4.77 2.09 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 1.16 0.00 0.00 1.00 0.00 0.00 40 A 9.16 5.14 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 41 R 8.68 4.69 0.00 1.75 1.53 0.00 3.11 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 42 L 8.39 5.22 0.00 1.67 1.79 0.95 0.78 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 43 K 8.98 3.69 0.00 1.82 1.93 0.00 1.44 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.74 1.37 7.81 44 N 9.23 4.12 0.00 2.79 2.76 0.00 0.00 7.12 7.79 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 45 N 7.88 4.49 0.00 2.73 2.86 0.00 0.00 6.84 8.00 0.00 0.00 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 N 7.64 4.77 0.00 2.72 2.78 0.00 0.00 6.90 8.18 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 47 R 7.98 4.65 0.00 1.98 2.09 0.00 2.95 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 48 Q 8.42 5.00 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 49 V 9.16 4.66 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 0.73 0.00 0.00 1.05 0.00 0.00 50 C 8.76 5.34 0.00 3.03 2.99 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 51 I 8.90 4.97 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.78 1.16 0.00 0.00 52 D 8.14 4.81 0.00 1.58 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.06 2.00 0.00 3.57 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.99 0.00 54 K 8.17 3.86 0.00 1.49 1.80 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.54 1.39 7.81 55 L 7.38 3.88 0.00 1.20 1.07 0.85 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.75 3.94 0.00 1.79 1.85 0.00 1.81 0.00 0.00 2.06 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.47 7.81 57 W 7.97 5.20 0.00 3.65 3.36 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 58 I 6.53 3.18 1.61 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.54 0.61 0.00 0.00 59 Q 7.82 4.02 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 60 E 8.14 4.05 0.00 2.36 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 2.39 2.69 0.00 61 Y 8.19 4.05 0.00 3.40 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 62 L 8.12 4.15 0.00 2.03 1.97 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.58 3.99 0.00 2.13 2.07 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 2.49 2.50 0.00 64 K 7.89 4.06 0.00 1.90 1.84 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.77 1.54 7.81 65 C 7.99 4.52 0.00 3.10 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 66 L 7.43 4.16 0.00 1.85 1.62 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 67 N 9.28 4.12 0.00 2.87 2.94 0.00 0.00 7.15 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 68 K 7.85 4.27 0.00 1.88 1.73 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.36 7.81