NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.9429 7.7258 119.6091 56.3275 29.9202 174.9025 5 G 3.6344 8.0354 111.7389 45.5077 0.0000 168.3502 6 Y 5.2159 9.6691 119.3673 56.6610 40.7250 173.4782 7 Q 5.2366 8.7526 121.5948 54.4894 31.9573 174.3430 8 Y 5.3590 9.1459 119.7418 56.2606 42.8920 174.2453 9 R 5.1385 9.0073 120.1794 54.2707 33.9261 174.2918 10 A 4.4037 8.7264 128.0740 52.4754 18.8876 178.0730 11 L 4.0065 8.6656 122.1655 55.9919 42.8464 176.3811 12 Y 5.0511 7.5088 113.3836 55.8928 42.3803 174.9315 13 D 4.8988 8.9745 120.8671 54.5331 41.9625 175.3606 14 Y 4.7387 8.9065 124.4628 55.5878 41.6689 173.8691 15 K 4.5201 7.9430 128.0547 54.1005 33.3702 176.2437 16 K 3.8492 8.4449 126.6889 57.2745 32.3671 174.4316 17 E 4.4399 8.1285 116.7700 57.9369 32.8479 177.3150 18 R 4.1404 7.6340 116.4244 55.8829 31.2307 177.7029 19 E 3.9913 8.5953 120.0891 58.9985 29.8470 177.4710 20 E 4.3005 7.9877 116.4060 56.9795 30.1179 175.6105 21 D 5.5623 7.6579 119.0493 53.9988 42.0806 175.0847 22 I 4.8576 8.4176 112.0114 59.4544 41.0460 174.5924 23 D 4.8681 8.6921 122.8201 53.8616 41.7540 175.8766 24 L 4.7215 8.6404 123.1947 53.4149 44.3746 175.2196 25 H 5.3139 8.6445 119.0394 53.3069 32.3937 173.3361 26 L 3.9339 8.8566 123.5438 57.2827 42.1892 176.9402 27 G 4.0433 8.7979 114.2406 45.2513 0.0000 173.5820 28 D 4.4303 7.9605 119.3770 55.2544 42.1921 175.8787 29 I 4.9420 8.5603 123.1888 59.7424 39.4761 174.7772 30 L 5.3047 8.8805 125.7699 53.2302 45.9002 175.4801 31 T 5.2767 8.9565 118.5484 61.8533 71.8009 173.2696 32 V 4.8723 9.3286 125.6539 60.9169 34.6731 174.4043 33 N 4.7591 8.9179 126.4476 52.9944 39.9162 175.2656 34 K 4.1753 8.9245 126.0816 59.9673 32.0675 179.0874 35 G 3.7208 8.0119 104.3773 47.7197 0.0000 175.7760 36 S 4.2089 7.9643 116.7179 61.6841 63.1941 176.5414 37 L 4.4026 8.0311 121.0844 57.6152 41.5462 179.2942 38 V 3.6614 8.0083 118.0416 66.0941 31.2944 177.6848 39 A 4.2442 7.9721 115.3314 52.9403 18.0057 177.5069 40 L 4.3797 7.7109 117.0639 54.3011 43.0204 176.5467 41 G 3.5778 8.3106 106.8410 47.0434 0.0000 174.7497 42 F 5.0401 7.8923 115.0109 55.7639 38.4525 174.8921 43 S 4.5109 7.6390 117.0062 58.1067 65.0437 174.8577 44 D 4.6908 8.6919 117.9438 53.7868 37.7486 174.9470 45 G 4.0980 7.9748 106.5287 46.9178 0.0000 176.3445 46 Q 3.8854 8.0448 121.1285 58.0631 28.7463 177.5247 47 E 3.8371 7.9761 118.2851 59.1976 28.7795 178.4159 48 A 3.6574 7.1269 118.7830 51.8086 20.5416 177.6114 49 R 4.5362 7.8188 117.2413 52.9804 30.5463 174.2222 50 P 4.0815 0.0000 0.0000 65.2041 31.8431 179.4966 51 E 4.1630 8.0367 115.8329 58.7798 29.4359 177.5300 52 E 4.1480 8.0460 117.6145 57.5910 29.7544 177.2637 53 I 3.8708 7.9443 119.4865 60.6224 37.8293 175.5359 54 G 3.9114 7.6899 114.4151 43.4371 0.0000 171.9784 55 W 5.0543 7.7567 119.2924 53.8828 33.0125 174.7253 56 L 4.7242 8.5215 122.7727 52.7230 45.4438 174.9546 57 N 5.3468 8.3516 118.5243 52.4285 41.7608 173.4931 58 G 4.4061 8.9069 112.3302 46.2455 0.0000 169.8835 59 Y 5.2979 8.8840 121.6639 55.8352 41.1817 175.4754 60 N 4.4911 8.8485 126.6112 52.6929 38.3968 174.7395 61 E 3.6990 8.5200 126.8912 59.5115 29.6926 179.1171 62 T 4.0946 7.9959 115.6126 65.7227 68.8951 175.8854 63 T 4.1407 7.9391 109.0725 61.4450 69.8078 175.7213 64 G 3.9660 8.4302 110.1061 44.8262 0.0000 172.6628 65 E 4.8048 7.6765 118.4477 54.2910 32.1831 174.6714 66 R 5.1971 9.0754 119.3097 53.9256 33.5419 175.6261 67 G 4.0234 7.6904 108.7272 46.3476 0.0000 171.1250 68 D 5.8500 8.2557 119.1353 53.3637 42.8494 175.9049 69 F 5.1124 7.9604 113.4441 55.3025 41.3546 171.3967 70 P 3.7504 0.0000 0.0000 61.9641 31.5972 178.0434 71 G 3.4486 8.5758 113.7774 48.2529 0.0000 175.0298 72 T 4.2695 7.6553 107.8039 62.7655 69.2706 174.3468 73 Y 4.6736 8.0338 119.2833 58.2649 39.5524 175.1151 74 V 5.1334 7.4732 110.6079 59.4220 35.9011 174.5867 75 E 4.6881 8.7736 121.2556 54.8658 32.7982 173.6725 76 Y 4.6757 9.0767 129.3290 57.8071 39.2045 175.0972 77 I 4.0525 8.2940 118.7235 59.9943 38.8095 175.2928 78 G 3.4235 5.3800 109.6744 44.3701 0.0000 172.4037 79 R 5.0569 7.6633 118.9692 54.8748 32.9514 175.2333 80 K 4.5219 8.4951 115.7594 58.2192 32.9478 174.6830 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 4 E 7.73 4.94 0.00 1.97 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 0.00 2.49 2.25 0.00 5 G 8.04 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 0.00 0.00 0.00 6 Y 9.67 5.22 0.00 3.08 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 7 Q 8.75 5.24 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 8 Y 9.15 5.36 0.00 2.91 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 9 R 9.01 5.14 0.00 1.80 1.69 0.00 3.13 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.75 0.00 10 A 8.73 4.40 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 11 L 8.67 4.01 0.00 0.27 0.68 0.78 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 7.51 5.05 0.00 2.97 2.85 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 13 D 8.97 4.90 0.00 2.66 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 14 Y 8.91 4.74 0.00 2.54 2.65 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 15 K 7.94 4.52 0.00 1.64 1.45 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.21 1.30 7.81 16 K 8.44 3.85 0.00 1.93 1.89 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 17 E 8.13 4.44 0.00 2.21 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 2.26 2.23 0.00 18 R 7.63 4.14 0.00 1.96 1.78 0.00 2.85 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 19 E 8.60 3.99 0.00 1.91 1.97 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 2.29 2.33 0.00 20 E 7.99 4.30 0.00 2.07 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 2.34 2.39 0.00 21 D 7.66 5.56 0.00 2.80 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 22 I 8.42 4.86 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.82 1.02 0.00 0.00 23 D 8.69 4.87 0.00 2.54 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.64 4.72 0.00 1.68 1.54 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.64 5.31 0.00 3.21 3.18 0.00 5.84 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.86 3.93 0.00 1.59 1.65 0.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.80 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.96 4.43 0.00 2.76 2.69 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 0.00 0.00 0.00 0.00 29 I 8.56 4.94 1.83 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 1.19 1.05 0.94 0.00 0.00 30 L 8.88 5.30 0.00 1.61 1.53 0.60 -0.21 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 31 T 8.96 5.28 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 1.34 0.00 0.00 32 V 9.33 4.87 2.63 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 1.21 0.00 0.00 1.29 0.00 0.00 33 N 8.92 4.76 0.00 2.85 2.74 0.00 0.00 6.83 6.19 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 34 K 8.92 4.18 0.00 1.65 1.78 0.00 1.76 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.61 1.74 7.81 35 G 8.01 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 36 S 7.96 4.21 0.00 4.10 4.03 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 37 L 8.03 4.40 0.00 2.05 1.90 1.13 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.01 3.66 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.05 0.00 0.00 39 A 7.97 4.24 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 40 L 7.71 4.38 0.00 1.85 1.38 1.10 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.31 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 42 F 7.89 5.04 0.00 3.27 2.85 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 43 S 7.64 4.51 0.00 4.00 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 44 D 8.69 4.69 0.00 3.04 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 45 G 7.97 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 46 Q 8.04 3.89 0.00 1.77 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 47 E 7.98 3.84 0.00 1.27 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 48 A 7.13 3.66 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.82 4.54 0.00 1.68 1.75 0.00 3.10 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 50 P 0.00 4.08 0.00 2.27 2.10 0.00 3.81 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 51 E 8.04 4.16 0.00 2.03 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 0.00 2.22 2.24 0.00 52 E 8.05 4.15 0.00 1.95 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 0.00 2.34 2.35 0.00 53 I 7.94 3.87 1.72 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.09 0.80 0.00 0.00 54 G 7.69 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 0.00 0.00 0.00 55 W 7.76 5.05 0.00 3.06 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 56 L 8.52 4.72 0.00 0.27 0.85 0.40 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.35 5.35 0.00 2.85 2.69 0.00 0.00 6.77 7.98 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 58 G 8.91 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 0.00 0.00 0.00 0.00 59 Y 8.88 5.30 0.00 3.07 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 60 N 8.85 4.49 0.00 2.63 2.50 0.00 0.00 6.77 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.52 3.70 0.00 1.94 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 2.49 0.00 62 T 8.00 4.09 4.28 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 1.23 0.00 0.00 63 T 7.94 4.14 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 1.26 0.00 0.00 64 G 8.43 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 0.00 0.00 0.00 65 E 7.68 4.80 0.00 2.04 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 0.00 2.34 2.29 0.00 66 R 9.08 5.20 0.00 1.96 1.89 0.00 3.45 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.94 0.00 67 G 7.69 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.26 5.85 0.00 2.83 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 69 F 7.96 5.11 0.00 2.95 3.11 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 70 P 0.00 3.75 0.00 1.79 1.07 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 71 G 8.58 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 0.00 0.00 0.00 72 T 7.66 4.27 4.15 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 0.00 0.00 1.10 0.00 0.00 73 Y 8.03 4.67 0.00 3.10 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 74 V 7.47 5.13 2.24 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 0.70 0.00 0.00 1.00 0.00 0.00 75 E 8.77 4.69 0.00 1.96 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 2.22 2.27 0.00 76 Y 9.08 4.68 0.00 3.02 2.89 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 77 I 8.29 4.05 1.71 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 1.05 0.62 0.90 0.00 0.00 78 G 5.38 3.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.66 5.06 0.00 2.01 2.08 0.00 3.24 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 80 K 8.50 4.52 0.00 1.90 1.85 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.19 7.81