NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.4640 8.1844 120.6258 54.2818 43.3952 176.1471 2 C 4.0271 8.8859 122.9080 59.4337 31.9158 172.4844 3 L 4.6609 8.3237 125.8371 54.5189 42.0965 175.9610 4 V 4.2132 7.4094 115.4586 63.4882 33.8883 176.1518 5 C 4.5391 7.6683 111.5661 57.9189 30.5716 174.1950 6 S 4.1684 7.7578 112.2181 59.7471 59.8592 168.9979 7 D 4.9222 7.1286 120.4911 51.7654 44.9395 173.3107 8 E 4.2713 8.6632 118.0317 56.1395 29.8376 176.3936 9 A 4.5106 8.3347 126.6810 51.2631 20.3835 176.0755 10 S 4.6194 8.1509 111.5578 57.8082 62.5739 174.9727 11 G 4.0360 8.3309 105.6618 45.2436 0.0000 172.4825 12 C 4.7152 8.0432 114.5549 57.2463 31.1458 172.8078 13 H 4.1415 8.5113 120.0073 56.7439 32.8064 172.9255 14 Y 4.0085 8.1908 122.7603 58.8530 34.5929 170.8343 15 G 3.9413 8.7128 109.3012 44.7768 0.0000 174.0085 16 V 4.4807 7.1939 118.1635 60.4444 35.7480 174.1435 17 L 4.4852 8.3587 127.4392 55.3391 43.2406 175.7554 18 T 4.9462 8.1780 115.7521 60.4065 72.6660 173.0204 19 C 4.4469 8.3556 115.6070 57.4407 31.8165 173.9677 20 G 3.6600 8.6411 104.7041 48.3676 0.0000 175.8545 21 S 4.4234 7.9822 115.1699 61.2738 62.6583 175.8449 22 C 4.4198 8.1319 118.9426 62.2667 27.8517 175.7492 23 K 4.2803 7.6600 118.4754 59.8225 31.7046 179.1106 24 V 3.7511 7.5721 118.8621 65.7670 31.4323 177.5652 25 F 4.3836 8.7490 120.8600 61.5484 39.3149 176.9440 26 F 4.0402 8.3961 119.7888 61.1519 38.8183 177.1034 27 K 3.6717 8.3024 119.0626 58.6979 31.7874 178.6705 28 R 3.9558 7.6043 117.8070 58.2305 30.1707 178.4648 29 A 3.9609 7.9744 120.2764 54.1798 18.0080 179.0809 30 V 3.8120 7.2042 115.8650 64.1740 33.3524 176.8031 31 E 4.3864 7.0141 118.4534 53.6665 28.4903 175.0436 32 G 3.8868 7.8082 116.1728 45.9796 0.0000 168.7181 33 Q 3.6509 8.2883 129.3051 56.2266 27.1036 171.7611 34 H 4.7081 8.1934 121.1755 53.8275 31.4113 173.9067 35 N 4.3086 8.2174 119.2971 51.7007 39.4305 173.0321 36 Y 4.5097 6.7913 119.7498 53.2356 40.1069 171.2327 37 L 3.9544 9.9264 126.8746 53.9146 41.1490 175.5729 38 C 4.7158 8.3659 124.9997 58.3486 31.7251 174.1175 39 A 4.5183 8.0668 121.6821 52.3383 20.5963 178.0725 40 G 3.9560 8.0689 102.6432 45.6268 0.0000 173.5370 41 R 4.2349 7.1459 115.4294 52.5314 33.8724 174.4142 42 N 4.1844 7.2458 117.9653 54.9008 37.3487 172.1680 43 D 4.8162 7.5595 118.3903 54.7276 42.3372 177.2042 44 C 4.1967 7.8749 115.9149 57.5174 30.1745 173.0591 45 I 4.2962 8.0496 122.3647 60.1649 38.2646 175.1895 46 I 4.4750 8.0708 124.3192 59.6017 38.8213 174.7607 47 D 4.5735 7.9439 123.7855 52.9226 41.0965 175.2686 48 K 4.0851 8.7348 119.1492 58.8934 32.4843 177.6750 49 I 4.3118 7.3550 115.5611 63.7109 39.1955 176.8250 50 R 4.3071 7.8204 116.5213 56.4808 30.1001 178.5616 51 R 3.8580 7.8013 115.9880 58.5807 29.6223 177.3856 52 K 4.2081 7.8283 116.9195 56.8774 32.6342 176.5762 53 N 4.5808 7.6306 114.6390 55.8576 39.0872 175.2202 54 C 4.5866 7.7076 115.8537 58.1823 34.2398 171.6252 55 P 4.7980 0.0000 0.0000 63.1347 32.1586 176.3152 56 A 4.3949 8.0375 120.1955 55.1032 20.8056 178.2055 57 C 4.1635 8.0357 114.8576 62.9785 28.1716 176.4098 58 R 4.0344 7.9764 116.7817 58.8153 28.6686 178.0957 59 Y 4.1955 7.9083 120.7191 60.5112 38.8828 177.2767 60 R 4.0617 8.0150 116.4732 58.6676 29.5641 178.8366 61 K 3.9097 8.1968 120.9997 59.5122 32.3909 178.6082 62 C 4.0559 7.7485 114.9809 61.3172 29.4253 175.8764 63 L 3.8645 7.3942 120.2591 57.4362 40.9262 179.2249 64 Q 4.0362 7.6098 118.4364 58.9185 28.9992 177.8067 65 A 4.1801 7.3813 121.3033 55.1293 18.3984 177.0651 66 G 3.5153 6.9724 103.9146 45.5817 0.0000 174.0755 67 M 4.3015 7.4819 119.5401 55.1899 32.4589 175.7817 68 N 4.6499 8.9539 116.3682 53.3923 42.6409 174.4386 69 L 4.7682 8.7084 127.9023 54.8738 42.9163 176.9124 70 E 4.7361 7.8690 112.0992 54.8582 31.3557 174.2408 71 A 4.8009 7.8007 121.1747 50.6166 22.2147 177.2391 72 R 4.1746 8.1290 118.2076 56.7412 30.4273 174.7104 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 L 8.18 4.46 0.00 1.64 1.75 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 2 C 8.89 4.03 0.00 2.97 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 3 L 8.32 4.66 0.00 1.65 1.61 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.41 4.21 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 0.87 0.00 0.00 0.88 0.00 0.00 5 C 7.67 4.54 0.00 3.24 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 6 S 7.76 4.17 0.00 3.93 3.94 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 7 D 7.13 4.92 0.00 2.85 2.47 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 8 E 8.66 4.27 0.00 2.11 1.95 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 2.26 2.30 0.00 9 A 8.33 4.51 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 10 S 8.15 4.62 0.00 3.85 3.77 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 11 G 8.33 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 12 C 8.04 4.72 0.00 3.05 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 13 H 8.51 4.14 0.00 2.85 2.33 0.00 5.99 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.19 4.01 0.00 3.30 3.40 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 0.00 0.00 0.00 0.00 15 G 8.71 3.94 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 0.00 0.00 0.00 16 V 7.19 4.48 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 0.87 0.00 0.00 0.89 0.00 0.00 17 L 8.36 4.49 0.00 1.79 1.51 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.18 4.95 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 1.17 0.00 0.00 19 C 8.36 4.45 0.00 3.12 3.21 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 20 G 8.64 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.98 4.42 0.00 3.91 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 22 C 8.13 4.42 0.00 3.07 3.08 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 23 K 7.66 4.28 0.00 1.92 2.08 0.00 1.45 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.66 1.36 7.81 24 V 7.57 3.75 2.20 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 0.97 0.00 0.00 1.08 0.00 0.00 25 F 8.75 4.38 0.00 3.34 3.28 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 26 F 8.40 4.04 0.00 3.25 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 27 K 8.30 3.67 0.00 1.80 1.91 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.65 7.81 28 R 7.60 3.96 0.00 2.07 1.85 0.00 3.23 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 29 A 7.97 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.20 3.81 1.56 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 0.56 0.00 0.00 -0.27 0.00 0.00 31 E 7.01 4.39 0.00 1.86 1.82 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 2.09 2.26 0.00 32 G 7.81 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 0.00 0.00 0.00 33 Q 8.29 3.65 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.40 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 34 H 8.19 4.71 0.00 3.21 3.19 0.00 5.76 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.22 4.31 0.00 2.57 2.59 0.00 0.00 6.60 7.34 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 36 Y 6.79 4.51 0.00 3.03 2.92 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 37 L 9.93 3.95 0.00 1.85 1.85 0.75 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 38 C 8.37 4.72 0.00 2.99 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 39 A 8.07 4.52 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 40 G 8.07 3.96 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 0.00 0.00 0.00 41 R 7.15 4.23 0.00 1.79 1.88 0.00 3.50 0.00 0.00 3.17 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 42 N 7.25 4.18 0.00 3.03 2.89 0.00 0.00 7.34 8.38 0.00 0.00 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 D 7.56 4.82 0.00 2.79 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 44 C 7.87 4.20 0.00 3.10 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 45 I 8.05 4.30 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 1.41 0.85 0.94 0.00 0.00 46 I 8.07 4.47 1.86 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 1.54 0.41 0.95 0.00 0.00 47 D 7.94 4.57 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.73 4.09 0.00 1.88 1.86 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.58 7.81 49 I 7.35 4.31 1.86 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 1.28 1.06 0.90 0.00 0.00 50 R 7.82 4.31 0.00 1.91 1.98 0.00 3.29 0.00 0.00 3.42 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 51 R 7.80 3.86 0.00 1.77 2.17 0.00 3.17 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 52 K 7.83 4.21 0.00 1.70 1.83 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.43 7.81 53 N 7.63 4.58 0.00 2.87 2.85 0.00 0.00 6.68 8.69 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 54 C 7.71 4.59 0.00 2.90 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 55 P 0.00 4.80 0.00 2.45 2.11 0.00 3.86 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 2.11 2.04 0.00 56 A 8.04 4.39 1.50 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 0.00 0.00 57 C 8.04 4.16 0.00 2.99 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 58 R 7.98 4.03 0.00 1.99 2.11 0.00 2.68 0.00 0.00 2.97 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.48 0.00 59 Y 7.91 4.20 0.00 2.68 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 60 R 8.02 4.06 0.00 2.15 2.29 0.00 2.90 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.66 0.00 61 K 8.20 3.91 0.00 2.06 2.02 0.00 1.51 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.46 7.81 62 C 7.75 4.06 0.00 2.91 3.18 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 63 L 7.39 3.86 0.00 1.80 1.69 0.67 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 7.61 4.04 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 65 A 7.38 4.18 1.30 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 0.00 0.00 66 G 6.97 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 0.00 0.00 0.00 67 M 7.48 4.30 0.00 1.07 1.41 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.42 0.00 68 N 8.95 4.65 0.00 2.75 2.69 0.00 0.00 6.99 7.19 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 69 L 8.71 4.77 0.00 1.20 1.33 0.36 0.42 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 70 E 7.87 4.74 0.00 1.93 1.87 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 2.27 2.23 0.00 71 A 7.80 4.80 1.43 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 0.00 0.00 0.00 72 R 8.13 4.17 0.00 1.71 1.73 0.00 3.32 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00