NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3631 8.3049 120.3509 55.4368 32.4237 174.5284 2 S 4.4071 8.5543 123.4792 56.9241 64.0233 172.3384 3 I 4.4758 9.0468 127.8186 60.0520 40.1207 174.4871 4 T 4.7159 8.4974 122.9696 61.6614 71.1900 173.3495 5 L 4.3293 8.2434 130.3127 53.9000 43.2490 175.3021 6 Y 4.7136 8.6652 125.6163 57.9987 38.6151 174.7396 7 T 4.7367 8.1832 120.9284 60.9937 70.9318 172.3212 8 K 4.7121 8.0964 119.2570 54.9339 34.7074 173.7796 9 P 4.3472 0.0000 0.0000 63.3774 32.0063 175.0776 10 A 3.6220 8.5204 118.7419 53.7928 15.8921 179.2970 11 C 4.7987 7.8424 119.5500 55.5174 46.9890 172.9958 12 V 3.5235 8.2100 128.6963 66.0026 31.2243 177.5652 13 Q 4.0945 8.0112 116.9591 58.4046 28.6692 179.1484 14 C 4.2900 8.0522 117.7766 60.3219 35.7712 175.9152 15 T 3.7990 7.7499 117.0363 66.5179 68.1227 176.7279 16 A 4.0310 8.1595 122.7519 55.3779 18.4065 179.8556 17 T 3.8569 7.6001 114.5784 66.4992 68.6169 177.3173 18 K 3.7674 7.9236 120.4353 59.2853 32.1496 179.6228 19 K 4.0578 8.0815 118.5338 59.2581 31.5489 179.3128 20 A 4.0765 7.9362 120.6363 54.7253 18.2738 179.6245 21 L 4.0136 7.7036 117.3488 57.8509 41.3831 179.1958 22 D 4.5235 8.1546 118.5029 57.1985 40.5466 178.8757 23 R 3.9730 7.8371 117.0438 58.4406 30.2830 177.3092 24 A 4.1749 7.5791 118.5015 52.1242 18.9103 177.9475 25 G 3.9166 7.6634 103.1624 45.9340 0.0000 173.4911 26 L 4.4308 7.8849 118.9929 53.1246 42.7404 176.3350 27 A 4.4221 8.4500 126.2836 51.6006 19.6938 175.9657 28 Y 5.2227 7.7001 119.4734 55.3834 41.8160 173.9184 29 N 4.9032 8.7280 117.4759 51.3736 39.5752 173.9312 30 T 4.4471 8.5111 120.7622 63.1554 70.1323 174.9376 31 V 4.1538 8.4425 124.4743 61.0845 34.5095 173.9853 32 D 4.9415 8.6434 129.1776 53.6890 40.9807 176.8264 33 I 4.0866 8.3773 120.7264 62.5484 38.1945 178.2055 34 S 4.0205 8.0359 115.4513 60.4550 63.0681 175.0386 35 L 4.3100 7.5562 119.7822 54.9431 42.5498 176.1656 36 D 4.8270 7.3688 117.7487 52.1786 42.9009 175.9701 37 D 4.3862 8.5792 128.1761 57.5309 41.0181 178.5078 38 E 4.0371 8.3398 118.4125 59.3411 29.5662 179.1347 39 A 4.1740 8.1046 120.8796 54.8505 18.5707 179.6143 40 R 3.8811 8.0068 117.4296 59.8830 30.1954 178.5893 41 D 4.3917 8.2895 118.6490 57.2540 40.6289 178.0371 42 Y 4.0058 8.0638 120.1632 60.7838 38.8186 178.2675 43 V 3.4601 7.6718 118.7751 66.5237 31.6169 177.9453 44 M 4.1067 8.0320 117.6284 58.1305 31.5513 178.6247 45 A 3.9864 7.8704 120.3704 54.6850 18.6208 178.9058 46 L 4.0171 7.1799 115.2873 55.1660 41.8860 177.7892 47 G 3.8539 7.3389 106.9809 45.6197 0.0000 173.4474 48 Y 4.7283 7.3857 115.5760 57.5586 38.0828 175.3973 49 V 4.2597 7.5271 119.5308 59.8784 33.0667 175.3322 50 Q 4.1781 8.6870 123.3477 55.3417 28.5096 175.1076 51 A 4.7768 8.2393 125.5987 49.3480 22.2481 173.4560 52 P 4.6780 0.0000 0.0000 62.3208 33.7746 174.8494 53 V 4.6102 8.1010 119.4490 61.1609 33.5917 174.6647 54 V 3.9962 7.7408 128.0653 61.3570 33.5954 174.3407 55 E 4.5803 8.1493 126.2774 54.4685 32.5133 174.6162 56 V 4.2271 8.0385 126.4565 62.1255 33.8912 175.0860 57 D 4.6990 10.0051 127.6421 55.2982 38.5393 173.3509 58 G 4.2137 8.3272 107.6665 45.6386 0.0000 174.9058 59 E 4.1904 7.7356 119.1033 56.6729 30.2650 174.9939 60 H 5.4044 8.4242 119.5035 54.4109 33.2901 172.1987 61 W 5.2929 8.2108 116.8203 55.9058 31.9278 172.8664 62 S 5.5896 7.9898 114.0748 56.4729 66.1011 174.3518 63 G 3.9012 8.8545 108.9666 44.6082 0.0000 172.5565 64 F 4.7362 8.6652 120.9156 57.6476 38.8890 175.4328 65 R 4.3855 8.3898 127.0694 51.6070 30.7637 174.1596 66 P 4.1076 0.0000 0.0000 65.1208 31.0120 178.4099 67 E 3.7919 7.6772 118.3793 59.4877 29.2384 179.2776 68 R 3.6359 7.2792 116.1810 58.8978 29.7985 178.7083 69 I 3.9850 7.2354 119.2831 64.2012 36.5411 178.5573 70 K 4.0058 7.8322 119.2482 59.5346 31.6284 179.4087 71 Q 4.0588 7.4868 116.1398 58.5861 28.6016 178.3640 72 L 4.2131 7.4709 119.1533 57.6170 41.7118 178.4513 73 Q 4.0530 8.0995 116.7949 58.4223 29.0604 176.0306 74 A 4.2390 7.5368 123.6179 52.2596 18.7832 176.7335 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 8.30 4.36 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 2 S 8.55 4.41 0.00 3.99 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 9.05 4.48 1.97 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 1.38 1.26 0.92 0.00 0.00 4 T 8.50 4.72 4.20 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 0.00 0.00 0.00 0.67 0.00 0.00 5 L 8.24 4.33 0.00 1.59 1.56 0.83 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.67 4.71 0.00 2.90 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 7 T 8.18 4.74 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 1.23 0.00 0.00 8 K 8.10 4.71 0.00 1.78 1.61 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.39 7.81 9 P 0.00 4.35 0.00 2.22 2.05 0.00 3.99 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 10 A 8.52 3.62 1.37 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 11 C 7.84 4.80 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 12 V 8.21 3.52 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 1.01 0.00 0.00 0.93 0.00 0.00 13 Q 8.01 4.09 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 14 C 8.05 4.29 0.00 3.13 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 15 T 7.75 3.80 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 1.21 0.00 0.00 16 A 8.16 4.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.60 3.86 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 1.07 0.00 0.00 18 K 7.92 3.77 0.00 2.00 1.93 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.53 7.81 19 K 8.08 4.06 0.00 1.82 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.59 7.81 20 A 7.94 4.08 1.31 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 0.00 0.00 21 L 7.70 4.01 0.00 1.59 1.69 0.21 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.15 4.52 0.00 2.79 2.77 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 23 R 7.84 3.97 0.00 1.89 1.99 0.00 3.16 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 24 A 7.58 4.17 1.37 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 25 G 7.66 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.88 4.43 0.00 1.85 1.68 0.93 0.56 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 27 A 8.45 4.42 1.21 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 0.00 0.00 0.00 28 Y 7.70 5.22 0.00 2.88 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 29 N 8.73 4.90 0.00 2.72 2.89 0.00 0.00 7.35 6.71 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 30 T 8.51 4.45 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 1.24 0.00 0.00 31 V 8.44 4.15 1.71 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 0.95 0.00 0.00 0.66 0.00 0.00 32 D 8.64 4.94 0.00 2.73 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 33 I 8.38 4.09 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.70 1.22 0.00 0.00 34 S 8.04 4.02 0.00 4.00 4.06 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 35 L 7.56 4.31 0.00 1.62 1.77 0.93 0.92 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 36 D 7.37 4.83 0.00 2.53 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.58 4.39 0.00 2.82 2.72 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 38 E 8.34 4.04 0.00 2.17 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 2.43 2.41 0.00 39 A 8.10 4.17 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 0.00 0.00 40 R 8.01 3.88 0.00 2.24 2.19 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 41 D 8.29 4.39 0.00 2.96 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 8.06 4.01 0.00 3.16 3.07 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 43 V 7.67 3.46 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 1.03 0.00 0.00 0.79 0.00 0.00 44 M 8.03 4.11 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.56 0.00 45 A 7.87 3.99 1.25 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 0.00 0.00 46 L 7.18 4.02 0.00 1.56 1.49 0.33 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.34 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 0.00 0.00 0.00 48 Y 7.39 4.73 0.00 3.11 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 49 V 7.53 4.26 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 0.73 0.00 0.00 0.94 0.00 0.00 50 Q 8.69 4.18 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 51 A 8.24 4.78 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.68 0.00 2.13 2.22 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.06 0.00 53 V 8.10 4.61 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 0.81 0.00 0.00 0.93 0.00 0.00 54 V 7.74 4.00 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 0.00 0.00 0.40 0.00 0.00 0.71 0.00 0.00 55 E 8.15 4.58 0.00 1.74 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 56 V 8.04 4.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.88 0.00 0.00 57 D 10.01 4.70 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 58 G 8.33 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 0.00 0.00 0.00 0.00 59 E 7.74 4.19 0.00 2.11 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 2.51 2.39 0.00 60 H 8.42 5.40 0.00 3.02 3.13 0.00 5.98 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.21 5.29 0.00 3.38 3.30 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 0.00 62 S 7.99 5.59 0.00 3.98 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 63 G 8.85 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 64 F 8.67 4.74 0.00 2.95 3.07 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 65 R 8.39 4.39 0.00 1.41 1.38 0.00 3.13 0.00 0.00 3.10 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 66 P 0.00 4.11 0.00 2.11 2.06 0.00 3.10 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 67 E 7.68 3.79 0.00 1.86 1.89 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 2.25 2.27 0.00 68 R 7.28 3.64 0.00 0.67 0.66 0.00 2.29 0.00 0.00 2.77 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.72 0.00 69 I 7.24 3.99 2.02 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.20 1.00 0.00 0.00 70 K 7.83 4.01 0.00 1.89 1.82 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.61 7.81 71 Q 7.49 4.06 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 72 L 7.47 4.21 0.00 1.83 1.79 1.16 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.10 4.05 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 74 A 7.54 4.24 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00