NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7139 8.4244 118.1261 53.4685 39.8061 173.6514 2 E 4.0932 8.6783 124.2073 58.0017 30.4201 175.9086 3 C 4.5401 8.2854 116.0888 59.5755 38.9062 175.7509 4 V 3.5016 7.6988 119.7887 66.1747 31.0846 177.9237 5 S 4.1376 7.9139 110.7888 61.0057 62.2935 175.4796 6 K 4.0032 7.8177 120.4533 56.2377 33.2780 177.1738 7 G 3.5555 7.7028 104.7633 46.1840 0.0000 170.7443 8 F 5.0735 8.0649 115.7915 55.7383 43.3751 174.9656 9 G 4.1723 8.3896 110.5991 45.0442 0.0000 173.1968 10 C 5.5980 8.2043 113.4208 55.1461 41.3913 174.9100 11 L 4.2168 8.1065 118.9945 54.2276 42.0501 176.1173 12 P 4.6341 0.0000 0.0000 62.0084 33.3394 177.5418 13 Q 4.0454 8.5155 117.4229 59.2258 28.6056 179.0652 14 S 4.2944 7.9382 115.2010 61.6513 63.0128 175.6132 15 D 4.5064 7.9545 120.6932 56.2798 41.2360 177.4991 16 C 4.5011 7.5056 117.4105 56.0039 39.4345 172.1009 17 P 4.5943 0.0000 0.0000 62.1756 31.9864 177.1935 18 Q 4.1018 8.4485 116.8535 57.9515 28.6577 177.4840 19 E 4.1712 8.1001 115.6227 58.2022 30.5894 177.9392 20 A 4.0694 7.3427 120.7854 52.9350 18.5485 176.9445 21 R 4.2859 7.1436 114.6084 55.8389 29.0807 176.7154 22 L 4.0516 7.9636 123.2446 54.5811 42.1997 177.8904 23 S 4.3655 7.7178 114.7803 59.3824 63.4406 174.4822 24 Y 4.5473 7.4067 117.8061 57.9526 38.5616 174.3100 25 G 4.2291 8.7094 109.1426 43.6751 0.0000 173.3003 26 G 4.0029 8.8951 106.3968 45.5605 0.0000 174.6342 27 C 4.6745 7.7492 116.0423 56.7995 41.2840 173.0392 28 S 4.2872 8.4576 115.0736 60.0119 62.2661 174.4924 29 T 4.5944 7.0886 109.6104 61.3044 71.9345 172.8986 30 V 4.4887 7.1063 119.3538 59.7064 35.2714 173.3012 31 C 4.8882 8.7682 119.9003 56.8474 36.6877 173.0750 32 C 5.2934 8.7007 121.6824 54.7519 45.9966 173.4108 33 D 4.5193 8.4932 126.4945 52.9663 37.0262 176.7959 34 L 4.2104 8.4512 127.5828 58.0612 42.1129 179.0958 35 S 4.4796 8.3279 113.1196 60.1408 62.8912 174.7954 36 K 4.6208 8.0070 116.4496 55.7013 33.5427 176.7033 37 L 4.1561 8.1438 121.8895 57.1775 41.9020 176.6575 38 T 4.3076 7.5843 106.9468 59.8839 71.1130 179.2492 39 G 4.3322 7.2252 109.8115 45.1259 0.0000 174.7848 40 C 4.1476 8.5758 124.4005 59.2060 43.4228 175.3636 41 K 3.7778 8.2499 119.0932 58.9346 32.3387 177.7129 42 G 3.8922 8.1457 108.3855 47.7268 0.0000 174.9850 43 K 4.5221 9.0462 116.0983 55.4342 34.6638 175.8301 44 G 3.4508 8.7898 113.1547 44.1607 0.0000 174.8417 45 G 3.8991 9.0496 105.2285 45.1642 0.0000 171.9108 46 E 4.5630 8.1281 118.1880 55.0345 33.3532 173.0951 47 C 5.1760 8.6583 124.5416 55.7240 40.4845 172.6766 48 N 5.3348 8.4999 119.7848 50.3108 43.1123 172.3315 49 P 4.3818 0.0000 0.0000 62.5278 32.0190 177.5323 50 L 4.1150 8.3360 118.8869 57.6372 41.7224 178.6974 51 D 4.3445 8.1117 117.7134 56.1998 40.9897 175.9861 52 R 4.3349 7.5765 119.6244 54.3599 30.1645 175.7169 53 Q 4.2378 8.5706 125.7443 55.8810 29.5180 175.0878 54 C 4.9805 8.7225 122.5556 56.4101 46.5469 173.8332 55 K 4.7105 8.3738 115.4889 55.1892 35.6605 173.8525 56 E 4.5569 8.3473 122.7223 54.2801 32.2433 175.3219 57 L 4.1969 8.0735 127.0387 54.3655 42.9133 175.1865 58 Q 4.2229 8.6528 124.5206 57.5887 28.8597 177.4743 59 A 4.1774 7.5487 120.9807 54.9177 18.5615 177.8824 60 E 4.5248 8.0895 112.3663 58.1636 32.9917 177.7703 61 S 3.9718 8.0307 111.3775 59.8472 63.2995 175.6411 62 A 4.1253 7.4241 124.1623 54.4472 18.1488 177.8280 63 S 4.7623 7.6844 110.0690 58.2269 63.4510 175.6638 64 C 4.3812 8.4456 122.1287 57.8832 45.4237 176.1789 65 G 3.6794 8.6659 108.8479 46.6761 0.0000 176.3394 66 K 3.9624 9.1038 127.2585 57.9476 31.7833 175.4277 67 G 3.9338 8.4860 117.2992 45.7612 0.0000 171.8605 68 Q 4.3734 7.4946 109.5630 56.7057 28.9575 177.3782 69 K 4.4374 7.7852 119.4711 55.5693 34.4277 175.8248 70 C 4.7491 8.6604 125.8147 56.5407 38.8391 173.2563 71 C 5.2091 8.9846 123.5024 55.1114 43.4814 173.4645 72 V 4.3819 7.8087 120.8799 60.3829 34.1359 173.4500 73 W 5.3853 8.1595 120.7593 55.0111 33.2816 174.8985 74 L 4.2126 8.9558 119.9944 58.9632 41.6587 176.5779 75 H 4.4373 8.3848 118.4159 56.1093 28.7034 175.0769 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 N 8.42 4.71 0.00 2.72 2.86 0.00 0.00 6.80 6.78 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 2 E 8.68 4.09 0.00 2.05 2.02 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 2.06 1.91 0.00 3 C 8.29 4.54 0.00 3.10 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 4 V 7.70 3.50 2.06 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 1.10 0.00 0.00 0.94 0.00 0.00 5 S 7.91 4.14 0.00 3.84 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 6 K 7.82 4.00 0.00 1.69 1.70 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 0.91 7.81 7 G 7.70 3.56 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 0.00 0.00 0.00 8 F 8.06 5.07 0.00 3.09 3.13 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 0.00 0.00 0.00 0.00 9 G 8.39 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 10 C 8.20 5.60 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 11 L 8.11 4.22 0.00 1.65 1.62 0.98 1.12 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 12 P 0.00 4.63 0.00 2.26 2.19 0.00 3.87 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.91 0.00 13 Q 8.52 4.05 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.13 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 14 S 7.94 4.29 0.00 3.84 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 15 D 7.95 4.51 0.00 2.77 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 16 C 7.51 4.50 0.00 2.98 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 17 P 0.00 4.59 0.00 2.20 2.19 0.00 3.68 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 2.05 1.97 0.00 18 Q 8.45 4.10 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 19 E 8.10 4.17 0.00 2.12 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 2.30 2.28 0.00 20 A 7.34 4.07 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.14 4.29 0.00 1.59 1.89 0.00 3.26 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 22 L 7.96 4.05 0.00 1.55 1.27 0.18 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.72 4.37 0.00 3.55 3.78 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 0.00 0.00 0.00 24 Y 7.41 4.55 0.00 3.00 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 25 G 8.71 4.23 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 0.00 26 G 8.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.75 4.67 0.00 3.01 3.10 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 28 S 8.46 4.29 0.00 3.86 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 29 T 7.09 4.59 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 30 V 7.11 4.49 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 0.75 0.00 0.00 0.91 0.00 0.00 31 C 8.77 4.89 0.00 2.94 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 32 C 8.70 5.29 0.00 2.93 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 33 D 8.49 4.52 0.00 2.78 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 0.00 0.00 0.00 0.00 34 L 8.45 4.21 0.00 1.78 1.85 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.33 4.48 0.00 4.13 4.07 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 36 K 8.01 4.62 0.00 1.90 1.79 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.42 7.81 37 L 8.14 4.16 0.00 1.79 1.71 0.92 0.96 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 38 T 7.58 4.31 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 39 G 7.23 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.58 4.15 0.00 2.94 3.38 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 0.00 0.00 0.00 0.00 41 K 8.25 3.78 0.00 1.90 1.83 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.44 7.81 42 G 8.15 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 43 K 9.05 4.52 0.00 1.73 1.83 0.00 1.97 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.61 7.81 44 G 8.79 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 45 G 9.05 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 46 E 8.13 4.56 0.00 1.82 1.64 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 0.00 2.10 2.21 0.00 47 C 8.66 5.18 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 48 N 8.50 5.33 0.00 2.56 2.64 0.00 0.00 6.88 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 49 P 0.00 4.38 0.00 2.21 2.18 0.00 3.70 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 2.08 1.99 0.00 50 L 8.34 4.11 0.00 1.66 1.78 0.92 1.05 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 51 D 8.11 4.34 0.00 2.67 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 52 R 7.58 4.33 0.00 1.79 1.87 0.00 3.46 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 53 Q 8.57 4.24 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 54 C 8.72 4.98 0.00 2.92 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.37 4.71 0.00 1.77 1.76 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.47 7.81 56 E 8.35 4.56 0.00 1.91 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 57 L 8.07 4.20 0.00 1.71 1.47 0.92 0.70 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 58 Q 8.65 4.22 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 59 A 7.55 4.18 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 60 E 8.09 4.52 0.00 1.95 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 2.27 2.26 0.00 61 S 8.03 3.97 0.00 4.00 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 62 A 7.42 4.13 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 63 S 7.68 4.76 0.00 3.93 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 64 C 8.45 4.38 0.00 3.13 3.24 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 65 G 8.67 3.68 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 0.00 0.00 0.00 0.00 66 K 9.10 3.96 0.00 1.70 1.77 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.49 7.81 67 G 8.49 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 0.00 0.00 0.00 68 Q 7.49 4.37 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.40 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 69 K 7.79 4.44 0.00 1.80 1.94 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.33 7.81 70 C 8.66 4.75 0.00 2.95 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 71 C 8.98 5.21 0.00 2.55 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.81 4.38 1.96 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 0.67 0.00 0.00 0.92 0.00 0.00 73 W 8.16 5.39 0.00 3.43 2.98 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 0.00 0.00 0.00 74 L 8.96 4.21 0.00 1.73 1.83 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.38 4.44 0.00 3.31 3.31 0.00 5.98 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00