NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4703 8.1627 118.3270 55.4200 33.0142 173.9190 2 Q 4.5532 8.6303 123.6112 52.4652 29.4454 172.0456 3 I 3.9749 8.8722 119.7431 59.9925 40.2958 174.5199 4 F 5.0201 8.8768 124.0785 56.1326 40.6036 175.0008 5 V 4.4236 8.6128 125.0749 61.4606 32.8170 175.1776 6 K 4.5037 8.9417 131.8592 56.0946 32.3246 176.5253 7 T 4.5062 8.3844 117.9713 60.4713 70.2365 175.0531 8 L 4.5843 7.8800 122.6852 54.0643 40.7415 176.9866 9 T 4.4131 7.6836 106.3545 61.4511 72.0980 174.8396 10 G 4.2585 8.6107 113.7881 45.5624 0.0000 173.6071 11 K 3.9354 7.3419 121.9458 56.5967 32.1054 175.7824 12 T 4.7208 8.3408 123.0449 61.8179 70.9550 173.7617 13 I 4.6289 8.0209 125.1626 59.2163 40.6525 174.5847 14 T 4.2386 8.5703 119.8330 61.3263 69.9397 173.5193 15 L 4.5263 8.3844 127.0212 53.3375 44.7822 175.0218 16 E 4.5992 8.7684 126.9765 55.4285 29.8818 175.7501 17 V 4.5883 8.2653 116.8552 60.0221 36.6925 173.8277 18 E 4.8050 8.3967 119.7808 53.7558 33.9285 175.2968 19 P 4.2665 0.0000 0.0000 65.4437 31.4711 178.9786 20 S 4.2026 7.9729 111.5178 60.2939 63.5386 174.2685 21 D 4.3740 8.1463 122.5011 54.3479 41.5502 175.7346 22 T 4.6646 8.2577 116.5592 61.5098 71.1777 175.8906 23 I 3.7016 8.7837 123.9005 64.8243 37.0346 178.4047 24 E 3.7216 8.0472 119.0481 59.6382 29.5512 178.7391 25 N 4.2584 8.4801 117.0344 56.3768 39.1762 177.0170 26 V 3.5379 8.0838 120.2057 66.2132 31.6059 178.1807 27 K 4.4616 8.5398 119.1750 58.7677 31.8225 179.1856 28 A 3.9742 8.1981 121.1279 55.2924 18.1861 179.9480 29 K 3.9656 8.0750 115.2503 58.9983 32.2648 179.4422 30 I 3.9394 7.6671 120.4285 64.2367 37.3723 177.8631 31 Q 4.0030 8.0788 120.3298 59.2044 28.5668 177.0783 32 D 4.3131 8.4204 117.1178 57.5201 41.1356 176.8948 33 K 4.1891 8.2899 123.0318 58.7183 34.0931 178.3718 34 E 4.1917 8.0726 118.1787 56.3789 30.2346 177.3191 35 G 3.8601 7.7858 103.5880 45.7361 0.0000 172.9011 36 I 4.0517 7.5629 120.3762 59.3172 37.9349 174.2082 37 P 4.3015 0.0000 0.0000 62.2502 31.7657 175.4022 38 P 4.2467 0.0000 0.0000 65.8932 31.5179 177.2953 39 D 4.4696 8.1117 116.3454 57.1949 41.6071 177.1524 40 Q 4.5050 8.0318 117.1894 58.5825 29.1380 176.0390 41 Q 4.6248 7.8155 117.6342 55.9074 27.1694 174.3084 42 R 4.3831 8.8631 122.7549 55.0964 30.3189 173.4851 43 L 4.8314 8.1226 124.8991 53.5835 43.6847 175.4422 44 I 4.9081 8.6390 124.0797 59.5804 39.8909 174.7429 45 F 4.5359 9.2590 128.7274 57.1936 41.5103 171.3564 46 A 3.5239 9.4628 126.6256 52.8667 14.8922 177.1776 47 G 4.0121 9.1031 105.2780 45.7608 0.0000 171.4939 48 K 4.6634 7.3565 115.3630 54.8485 36.4674 175.0873 49 Q 4.6164 8.4528 123.3877 55.5795 30.4128 175.8817 50 L 3.5625 8.4718 125.6343 53.3694 41.1948 176.0245 51 E 4.0676 8.6891 125.2411 56.1741 30.0889 176.5519 52 D 4.4523 9.1250 127.0733 57.5547 41.6807 177.3271 53 G 4.1409 7.7694 108.0126 43.9619 0.0000 171.5331 54 R 4.6781 7.3114 119.1553 55.1218 35.1218 174.9970 55 T 4.7269 8.2920 109.6496 60.2981 70.3646 175.1363 56 L 4.2349 8.4928 122.7775 57.9654 41.8262 180.1070 57 S 4.1322 7.8608 111.9787 61.2840 62.9403 175.1476 58 D 4.2518 7.6522 120.1847 57.0276 40.4636 177.2686 59 Y 4.4932 7.4663 113.0882 56.8571 38.9458 174.6935 60 N 4.0947 8.0352 117.1888 54.5968 37.0862 175.8130 61 I 3.7399 7.4332 118.5178 60.2864 36.1983 176.4343 62 Q 4.3915 8.2671 125.0297 54.0336 29.9017 175.9237 63 K 3.9865 8.4385 118.7343 58.6499 32.6980 176.4157 64 E 4.1405 8.6435 119.4999 56.7624 27.3140 174.6675 65 S 4.7137 7.5941 112.9180 58.4611 64.8356 173.7933 66 T 4.9477 8.5679 119.2778 62.8199 69.1650 174.3840 67 L 4.4788 8.7640 127.9776 54.4304 43.4874 176.1463 68 H 4.8652 9.0338 122.2853 54.4278 29.2357 173.8561 69 L 4.5043 8.4363 126.3216 54.3545 42.5534 175.9476 70 V 4.1376 8.5949 127.9326 61.5987 33.1790 175.0748 71 L 4.5820 8.6385 128.5322 54.2398 41.4104 175.4248 72 R 4.4363 8.8444 125.3462 53.8721 31.3685 174.1850 73 L 4.8403 8.4735 133.9919 54.6260 40.9591 179.7593 74 R 4.6449 7.8710 119.6947 54.9284 30.0012 172.8372 75 G 3.8978 7.1996 117.2034 46.4579 0.0000 172.5112 76 G 3.7244 8.1188 114.0303 44.9531 0.0000 173.2361 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 M 8.16 4.47 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.68 0.00 2 Q 8.63 4.55 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.07 0.00 0.00 0.00 0.00 0.00 1.69 2.15 0.00 3 I 8.87 3.97 1.92 0.00 0.00 0.74 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 0.39 0.89 0.00 0.00 4 F 8.88 5.02 0.00 3.00 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 5 V 8.61 4.42 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 0.91 0.00 0.00 0.91 0.00 0.00 6 K 8.94 4.50 0.00 1.81 1.80 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.54 7.81 7 T 8.38 4.51 4.25 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 1.24 0.00 0.00 8 L 7.88 4.58 0.00 1.66 1.69 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.68 4.41 4.25 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 1.22 0.00 0.00 10 G 8.61 4.26 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 0.00 0.00 0.00 11 K 7.34 3.94 0.00 1.81 1.77 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.72 1.43 7.81 12 T 8.34 4.72 4.27 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 0.00 0.00 0.00 1.32 0.00 0.00 13 I 8.02 4.63 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.46 0.98 0.00 0.00 14 T 8.57 4.24 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 1.23 0.00 0.00 15 L 8.38 4.53 0.00 1.72 1.50 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.77 4.60 0.00 1.82 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 2.21 2.32 0.00 17 V 8.27 4.59 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 0.60 0.00 0.00 0.90 0.00 0.00 18 E 8.40 4.80 0.00 1.81 1.78 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 0.00 2.26 2.23 0.00 19 P 0.00 4.27 0.00 2.16 2.11 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 20 S 7.97 4.20 0.00 3.97 3.99 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 21 D 8.15 4.37 0.00 2.94 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.26 4.66 4.25 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 1.21 0.00 0.00 23 I 8.78 3.70 2.19 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 1.72 1.08 0.95 0.00 0.00 24 E 8.05 3.72 0.00 2.07 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 2.31 2.37 0.00 25 N 8.48 4.26 0.00 2.88 2.92 0.00 0.00 7.19 7.83 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 26 V 8.08 3.54 2.18 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 0.91 0.00 0.00 0.94 0.00 0.00 27 K 8.54 4.46 0.00 1.94 1.84 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.44 7.81 28 A 8.20 3.97 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 29 K 8.07 3.97 0.00 1.77 1.86 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.53 7.81 30 I 7.67 3.94 2.04 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.16 0.91 0.00 0.00 31 Q 8.08 4.00 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 32 D 8.42 4.31 0.00 2.73 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 33 K 8.29 4.19 0.00 1.90 1.92 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.45 7.81 34 E 8.07 4.19 0.00 2.14 2.04 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 2.28 2.39 0.00 35 G 7.79 3.86 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 0.00 0.00 0.00 36 I 7.56 4.05 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 1.42 0.59 0.91 0.00 0.00 37 P 0.00 4.30 0.00 2.17 1.99 0.00 3.74 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 38 P 0.00 4.25 0.00 2.03 2.14 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 39 D 8.11 4.47 0.00 2.61 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 40 Q 8.03 4.50 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 41 Q 7.82 4.62 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.19 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 42 R 8.86 4.38 0.00 1.91 2.06 0.00 3.08 0.00 0.00 3.17 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 43 L 8.12 4.83 0.00 1.58 1.51 0.87 0.69 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 44 I 8.64 4.91 1.91 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 1.29 0.97 0.95 0.00 0.00 45 F 9.26 4.54 0.00 3.02 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 46 A 9.46 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 9.10 4.01 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 0.00 0.00 0.00 48 K 7.36 4.66 0.00 2.11 1.85 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.32 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.59 7.81 49 Q 8.45 4.62 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 7.22 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 50 L 8.47 3.56 0.00 1.34 1.24 0.71 -0.03 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 51 E 8.69 4.07 0.00 2.14 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 2.39 2.35 0.00 52 D 9.13 4.45 0.00 2.84 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 53 G 7.77 4.14 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 0.00 0.00 0.00 54 R 7.31 4.68 0.00 2.10 1.93 0.00 3.23 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 55 T 8.29 4.73 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 1.20 0.00 0.00 56 L 8.49 4.23 0.00 1.93 1.74 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.86 4.13 0.00 3.98 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 58 D 7.65 4.25 0.00 2.07 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 0.00 0.00 0.00 59 Y 7.47 4.49 0.00 2.86 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 60 N 8.04 4.09 0.00 2.91 3.01 0.00 0.00 7.11 7.99 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 61 I 7.43 3.74 1.68 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.12 0.61 0.00 0.00 62 Q 8.27 4.39 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 7.12 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 63 K 8.44 3.99 0.00 1.86 1.83 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.50 7.81 64 E 8.64 4.14 0.00 2.24 2.34 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 2.39 2.58 0.00 65 S 7.59 4.71 0.00 3.92 4.08 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 66 T 8.57 4.95 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 67 L 8.76 4.48 0.00 1.61 1.59 0.82 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.03 4.87 0.00 3.30 3.29 0.00 5.61 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.44 4.50 0.00 1.68 1.81 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.59 4.14 2.19 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 0.90 0.00 0.00 0.95 0.00 0.00 71 L 8.64 4.58 0.00 1.56 1.64 0.93 0.92 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 72 R 8.84 4.44 0.00 1.88 1.80 0.00 3.08 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 73 L 8.47 4.84 0.00 1.65 1.26 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.87 4.64 0.00 1.70 1.79 0.00 3.33 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 75 G 7.20 3.90 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 0.00 0.00 0.00 76 G 8.12 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