NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4580 8.1814 115.4127 57.8537 64.7328 174.0556 2 G 3.4685 8.4980 106.0221 47.4933 0.0000 174.3620 3 I 3.6838 7.8427 121.8889 64.3136 37.6992 177.0175 4 V 3.6314 7.5767 118.9362 66.0650 31.4491 178.0667 5 Q 4.0220 8.6861 118.3049 58.9023 28.4132 178.5104 6 Q 4.0041 8.5349 121.1594 59.1085 29.0805 178.2276 7 Q 3.9755 8.0372 119.3001 58.9008 28.7443 178.1684 8 N 4.3285 8.1485 118.0567 56.6512 38.8891 176.5934 9 N 4.3043 8.0442 117.3878 56.3402 38.7104 177.0932 10 L 3.9546 8.1299 120.5336 57.9653 41.9234 179.4151 11 L 3.9599 8.4158 120.2485 58.4174 42.0107 179.3057 12 R 3.9655 8.2597 117.7204 59.0296 29.8594 178.8640 13 A 4.0286 8.1804 120.9124 55.2890 18.3389 179.7747 14 I 3.6883 7.8379 118.3226 64.3395 37.1173 178.6634 15 E 3.9198 8.0741 118.9830 59.4304 29.4201 179.1476 16 A 4.0977 8.0614 120.8117 55.2264 18.3853 179.4432 17 Q 3.9212 8.4789 118.4648 59.3540 29.0444 178.2508 18 Q 3.9742 8.2308 120.7004 59.5437 29.0766 177.9986 19 H 4.1731 8.2558 117.2389 58.8908 28.7212 177.8379 20 L 4.0940 8.0423 120.7868 57.4744 41.3361 179.5655 21 L 4.0336 8.0397 119.1182 58.0720 41.5602 179.5843 22 Q 4.0770 8.3924 118.1622 58.9614 28.6096 178.8905 23 L 4.0964 8.2087 120.1012 58.1573 41.5980 179.7267 24 T 4.0586 8.2574 115.8269 66.4354 68.2872 177.0191 25 V 3.8596 8.1561 120.3762 65.8645 31.5940 177.5877 26 W 4.3773 8.7514 128.6490 60.6866 30.4902 178.0478 27 G 3.6524 8.6402 105.3607 48.1987 0.0000 175.6382 28 T 3.8979 8.2407 118.5599 66.2585 68.5087 176.8040 29 K 3.7346 8.4376 120.5621 59.5145 31.6343 179.2160 30 Q 3.6029 7.5968 118.3100 58.9351 28.4274 179.3171 31 L 3.7075 7.6906 119.9230 57.7220 41.6099 179.5933 32 Q 3.4942 7.7993 117.3040 58.7827 27.9489 178.4173 33 A 3.7362 7.3368 122.1560 54.8352 18.4357 179.0887 34 R 4.1346 7.1241 114.4698 58.1449 30.8592 178.3632 35 I 4.0001 7.8284 117.3012 61.6484 38.3013 177.4792 36 L 3.2606 7.1373 112.9887 55.9461 37.9032 173.8783 37 S 4.7493 7.7915 120.7766 56.2172 66.0450 175.8746 38 G 3.7203 8.5811 110.9941 46.7725 0.0000 173.9750 39 G 4.2193 8.2768 110.9844 42.8723 0.0000 172.8784 40 R 4.0547 9.0438 122.8713 59.8017 29.7431 179.1061 41 G 3.8202 8.2104 104.7760 47.5993 0.0000 175.8081 42 G 3.5767 8.2994 108.1781 47.3779 0.0000 175.6344 43 W 4.2604 8.1947 120.1460 59.0860 29.2831 178.5188 44 M 4.2970 7.8508 118.1496 58.1357 31.3378 178.3211 45 E 3.9297 8.1371 119.7081 59.0119 29.8034 178.1781 46 W 4.1961 7.9153 128.3817 60.8638 30.7116 176.9976 47 D 4.3644 9.2434 120.4480 58.2831 40.6171 179.4626 48 R 3.9130 8.0304 120.7165 61.5860 29.3463 180.5900 49 E 4.1250 8.2792 119.7507 59.1834 29.4825 179.4298 50 I 3.5323 7.6953 120.2041 64.4018 37.0446 178.3025 51 N 4.2783 7.9666 117.1915 56.2923 38.4959 177.3299 52 N 4.1934 8.1207 117.8981 56.5558 38.5760 177.2026 53 Y 4.0640 8.1200 118.3952 60.9396 37.9065 178.4734 54 T 3.7996 7.8819 116.9405 66.7171 68.6815 176.8700 55 S 4.0420 7.8572 116.9841 61.4911 62.8296 176.5768 56 L 3.9657 7.7772 122.7254 58.1881 41.8235 179.1378 57 I 3.7863 8.0208 119.9377 64.6487 37.0493 178.0861 58 H 4.3194 8.2907 117.1786 58.7949 28.4257 177.8697 59 S 4.0799 8.0466 114.6595 61.3593 62.2159 176.1262 60 L 3.9913 8.0235 121.6681 57.8930 41.4022 179.5128 61 I 3.6986 8.2243 119.9970 64.6052 36.9876 178.3481 62 E 4.1555 8.2344 119.2674 59.4494 29.3953 179.0956 63 E 3.9826 8.5681 119.7996 59.3080 29.5714 179.0872 64 S 4.2049 8.3646 115.7193 61.4976 62.9004 176.5955 65 Q 3.9801 8.2541 120.9107 58.6454 28.3827 178.2835 66 N 4.2214 7.9707 117.9397 56.8923 39.1167 176.7746 67 Q 3.9806 7.9532 120.5129 59.2380 29.0471 178.0849 68 Q 4.0144 8.3628 120.9687 58.6796 29.0107 177.8112 69 E 3.9600 8.2277 123.1793 59.6478 29.5960 179.3739 70 K 3.9389 8.0688 123.6945 60.0912 31.6495 180.5635 71 N 4.6490 8.1446 118.0767 56.1545 38.2105 177.5336 72 E 3.8848 7.9916 121.1917 59.8533 29.7027 179.2951 73 Q 4.2855 7.9734 117.9919 58.0149 28.3654 177.9800 74 E 4.6665 7.3375 115.1280 58.6846 31.6186 175.1026 75 L 4.1247 8.7663 124.9443 55.2577 42.1403 176.3687 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 S 8.18 4.46 0.00 4.02 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.50 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.84 3.68 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.55 0.91 0.00 0.00 4 V 7.58 3.63 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 1.03 0.00 0.00 0.93 0.00 0.00 5 Q 8.69 4.02 0.00 2.37 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 6 Q 8.53 4.00 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 7 Q 8.04 3.98 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 8 N 8.15 4.33 0.00 2.78 2.98 0.00 0.00 7.25 6.75 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 9 N 8.04 4.30 0.00 3.06 2.85 0.00 0.00 7.03 6.04 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 10 L 8.13 3.95 0.00 1.99 1.73 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.42 3.96 0.00 1.76 1.89 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.26 3.97 0.00 2.07 1.97 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 13 A 8.18 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.84 3.69 2.06 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.71 0.92 0.00 0.00 15 E 8.07 3.92 0.00 2.24 2.03 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 2.33 2.51 0.00 16 A 8.06 4.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.48 3.92 0.00 2.33 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 18 Q 8.23 3.97 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 19 H 8.26 4.17 0.00 3.50 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.04 4.09 0.00 1.93 1.75 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.04 4.03 0.00 1.89 1.74 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.39 4.08 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 23 L 8.21 4.10 0.00 2.08 1.79 0.84 0.62 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 T 8.26 4.06 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 25 V 8.16 3.86 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 1.21 0.00 0.00 1.08 0.00 0.00 26 W 8.75 4.38 0.00 3.49 3.45 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 0.00 0.00 0.00 0.00 27 G 8.64 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.24 3.90 4.68 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 0.00 0.00 1.21 0.00 0.00 29 K 8.44 3.73 0.00 1.82 1.75 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.21 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.85 2.02 7.81 30 Q 7.60 3.60 0.00 1.67 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 31 L 7.69 3.71 0.00 1.86 1.57 0.83 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.80 3.49 0.00 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.53 2.09 0.00 33 A 7.34 3.74 1.24 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 0.00 0.00 0.00 34 R 7.12 4.13 0.00 1.60 1.91 0.00 3.25 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 35 I 7.83 4.00 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.47 0.87 0.00 0.00 36 L 7.14 3.26 0.00 1.64 1.92 0.79 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.79 4.75 0.00 3.83 3.95 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 0.00 0.00 0.00 38 G 8.58 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.28 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 0.00 0.00 0.00 0.00 40 R 9.04 4.05 0.00 2.02 2.02 0.00 3.30 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.30 0.00 41 G 8.21 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 0.00 0.00 0.00 42 G 8.30 3.58 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 0.00 43 W 8.19 4.26 0.00 3.43 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.85 4.30 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.63 0.00 45 E 8.14 3.93 0.00 2.06 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 2.33 2.51 0.00 46 W 7.92 4.20 0.00 3.29 3.52 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 47 D 9.24 4.36 0.00 3.21 2.91 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 48 R 8.03 3.91 0.00 1.88 1.92 0.00 3.32 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 49 E 8.28 4.12 0.00 2.11 2.17 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 2.38 2.49 0.00 50 I 7.70 3.53 1.21 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.23 0.66 0.00 0.00 51 N 7.97 4.28 0.00 2.92 2.80 0.00 0.00 7.03 6.93 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 52 N 8.12 4.19 0.00 2.42 2.50 0.00 0.00 7.07 7.09 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 53 Y 8.12 4.06 0.00 3.04 2.95 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 0.00 0.00 0.00 54 T 7.88 3.80 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 55 S 7.86 4.04 0.00 3.95 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 56 L 7.78 3.97 0.00 1.73 1.88 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.02 3.79 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.68 0.94 0.00 0.00 58 H 8.29 4.32 0.00 3.36 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.05 4.08 0.00 3.93 4.05 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 0.00 0.00 0.00 60 L 8.02 3.99 0.00 1.90 1.72 0.95 0.69 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 61 I 8.22 3.70 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.10 0.91 0.00 0.00 62 E 8.23 4.16 0.00 2.19 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 2.32 2.61 0.00 63 E 8.57 3.98 0.00 2.10 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 2.31 2.35 0.00 64 S 8.36 4.20 0.00 4.05 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.25 3.98 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 66 N 7.97 4.22 0.00 2.92 2.97 0.00 0.00 6.79 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 7.95 3.98 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 68 Q 8.36 4.01 0.00 2.35 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 69 E 8.23 3.96 0.00 2.27 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 0.00 2.30 2.19 0.00 70 K 8.07 3.94 0.00 1.81 1.81 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.36 7.81 71 N 8.14 4.65 0.00 2.74 2.89 0.00 0.00 7.12 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 7.99 3.88 0.00 2.04 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 2.34 2.38 0.00 73 Q 7.97 4.29 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 74 E 7.34 4.67 0.00 2.00 2.16 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 2.20 2.26 0.00 75 L 8.77 4.12 0.00 1.52 1.78 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00