NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5612 0.0000 0.0000 62.7647 33.7056 174.2041 2 F 5.1836 8.6352 120.9304 56.1595 42.2264 172.1738 3 I 4.2770 8.5157 126.9625 59.3481 40.7716 173.2246 4 N 5.0169 8.4933 125.8152 51.6972 40.8297 173.5397 5 I 4.5378 8.7965 127.2381 59.3984 40.1961 174.5031 6 K 5.1654 8.7971 126.5117 54.5113 34.3607 175.4149 7 L 4.8259 8.8947 124.2046 54.3012 44.7515 174.8963 8 V 5.0551 7.8286 119.1562 59.7357 32.6686 173.7807 9 P 4.5520 0.0000 0.0000 63.2197 32.4271 175.4287 10 E 4.4910 9.2491 118.2114 57.0929 33.6090 175.1831 11 N 4.1072 9.8502 122.2251 54.7692 35.6567 174.6490 12 G 3.8656 8.1079 101.8125 45.7966 0.0000 171.5297 13 G 4.1832 7.5610 108.3517 42.4090 0.0000 170.7221 14 P 4.9356 0.0000 0.0000 62.1434 32.3401 177.0042 15 T 4.3057 8.9975 112.8747 61.0803 71.2138 175.6471 16 N 4.3142 8.5308 117.7472 56.2041 38.4122 177.3132 17 E 3.9051 8.0740 120.4081 59.4987 29.8589 178.8170 18 Q 4.0170 8.0911 118.0679 58.7594 28.7368 178.8112 19 K 3.9964 8.4095 120.0934 59.3955 32.0302 179.1749 20 Q 3.9802 8.3061 120.1758 59.2733 28.8910 178.3083 21 Q 4.0097 8.2071 119.1829 58.7630 28.5770 178.7932 22 L 3.9937 7.8396 120.2387 57.6584 41.6925 179.4421 23 I 3.6647 7.8100 119.7382 64.5396 37.0433 178.4415 24 E 4.0779 8.4359 119.5716 59.0879 29.3007 179.5347 25 G 3.6027 8.3891 106.2207 47.9538 0.0000 175.9251 26 V 3.6117 8.0298 121.6279 65.4810 31.5053 178.2345 27 S 4.0860 7.9986 114.8559 61.8045 62.7391 176.3978 28 D 4.3478 8.4638 121.9203 57.2036 40.5413 178.4782 29 L 3.9434 7.9667 120.7822 58.6614 42.0499 179.0988 30 M 4.0806 8.0516 118.4747 58.3318 31.8797 178.9912 31 V 3.6044 7.8244 118.5471 65.7503 31.4803 178.0902 32 K 3.9302 8.3450 118.9633 59.3316 32.1347 178.6155 33 V 3.8985 7.7604 117.2995 64.7054 31.5775 176.5317 34 L 4.6202 7.7287 115.4385 53.5810 42.4896 176.3281 35 N 5.4005 8.3010 113.3232 52.8061 36.2062 174.6510 36 K 4.0686 7.2628 115.8500 56.2552 32.8254 176.4800 37 N 4.4934 8.5609 120.0213 53.2022 39.5582 175.5884 38 K 3.8221 9.0669 125.5709 59.7019 32.3500 178.8982 39 A 3.9634 8.1235 119.6961 55.0607 18.2075 178.2765 40 S 4.4153 7.7054 107.6533 59.0728 63.6869 174.2121 41 I 4.1942 7.7513 123.8575 61.3209 37.4144 175.4086 42 V 4.4818 8.7919 127.8204 61.0641 33.8774 174.5770 43 V 4.7307 8.3101 126.2904 61.1445 34.7152 174.3971 44 I 4.5968 8.5443 127.6960 59.6443 40.7348 174.1288 45 I 4.8237 8.4846 127.8554 59.7952 38.9102 174.6872 46 D 5.0040 9.5014 127.3107 52.5372 43.6583 175.1522 47 E 4.9551 8.8094 122.4436 54.9095 31.1952 175.3179 48 V 4.3289 8.8264 126.1032 60.8522 33.7140 175.0078 49 D 4.6348 8.7620 127.3781 54.1144 41.8807 177.1129 50 S 4.4045 8.7829 119.9718 60.8645 62.9776 175.3136 51 N 4.6951 8.5281 117.0876 53.9051 38.7492 175.2037 52 N 4.8084 8.4359 114.8637 52.9133 39.7495 173.8721 53 Y 4.6533 7.9278 120.4616 55.4286 41.0377 174.3803 54 G 4.5775 8.4043 114.7881 43.7810 0.0000 171.7972 55 L 4.4689 8.6611 122.5377 54.5589 45.0869 176.5788 56 G 3.8940 9.5896 113.4271 46.3433 0.0000 174.1011 57 G 3.9697 8.7124 105.6401 44.9580 0.0000 173.5370 58 E 4.7069 7.8614 119.0882 53.3084 33.1311 175.8447 59 S 4.8130 8.4471 117.6689 58.3969 65.1867 175.7768 60 V 3.6602 8.8186 123.1228 66.1645 30.9707 178.0558 61 H 4.1356 8.2180 117.8022 59.4541 30.0117 176.4352 62 H 4.2292 8.0676 120.1436 59.2887 29.6311 177.2581 63 L 4.0467 8.0354 120.8125 57.7271 41.2475 179.0436 64 R 4.2019 7.9137 115.4277 57.4671 30.0922 178.2892 65 Q 4.0339 7.6883 118.7242 56.9893 29.0393 176.2053 66 K 4.3377 7.2049 123.3833 55.0946 33.4648 176.5470 67 N 4.5319 8.6956 121.7501 52.6917 37.4687 172.1910 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 P 0.00 4.56 0.00 2.16 2.32 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 2 F 8.64 5.18 0.00 3.04 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 3 I 8.52 4.28 1.68 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.48 0.79 0.00 0.00 4 N 8.49 5.02 0.00 2.59 2.67 0.00 0.00 7.03 7.94 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 5 I 8.80 4.54 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.73 0.91 0.00 0.00 6 K 8.80 5.17 0.00 1.69 1.81 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.42 7.81 7 L 8.89 4.83 0.00 1.68 1.71 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.83 5.06 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 1.22 0.00 0.00 0.59 0.00 0.00 9 P 0.00 4.55 0.00 1.97 2.08 0.00 3.83 0.00 0.00 3.77 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 10 E 9.25 4.49 0.00 1.92 1.69 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 2.09 2.16 0.00 11 N 9.85 4.11 0.00 2.85 2.80 0.00 0.00 6.99 7.65 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 12 G 8.11 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.56 4.18 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 0.00 0.00 0.00 14 P 0.00 4.94 0.00 2.18 2.04 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 15 T 9.00 4.31 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 1.25 0.00 0.00 16 N 8.53 4.31 0.00 2.75 2.91 0.00 0.00 6.44 7.66 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 17 E 8.07 3.91 0.00 2.07 1.94 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 2.37 2.46 0.00 18 Q 8.09 4.02 0.00 2.35 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 19 K 8.41 4.00 0.00 1.93 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.70 7.81 20 Q 8.31 3.98 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.64 2.40 0.00 21 Q 8.21 4.01 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 22 L 7.84 3.99 0.00 1.88 1.69 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.81 3.66 2.01 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 1.50 0.90 0.90 0.00 0.00 24 E 8.44 4.08 0.00 2.00 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 2.32 2.47 0.00 25 G 8.39 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.03 3.61 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 0.89 0.00 0.00 27 S 8.00 4.09 0.00 4.08 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 28 D 8.46 4.35 0.00 2.77 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 29 L 7.97 3.94 0.00 1.86 1.88 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 M 8.05 4.08 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.89 0.00 31 V 7.82 3.60 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 0.99 0.00 0.00 0.96 0.00 0.00 32 K 8.34 3.93 0.00 1.77 2.03 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.44 7.81 33 V 7.76 3.90 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 0.90 0.00 0.00 1.00 0.00 0.00 34 L 7.73 4.62 0.00 1.73 1.61 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.30 5.40 0.00 2.84 2.88 0.00 0.00 7.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.26 4.07 0.00 1.75 1.76 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.54 7.81 37 N 8.56 4.49 0.00 2.80 2.71 0.00 0.00 6.95 6.02 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 38 K 9.07 3.82 0.00 1.86 1.86 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.46 7.81 39 A 8.12 3.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.71 4.42 0.00 3.99 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 41 I 7.75 4.19 1.97 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 1.12 0.86 0.90 0.00 0.00 42 V 8.79 4.48 2.38 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 1.20 0.00 0.00 1.02 0.00 0.00 43 V 8.31 4.73 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 0.78 0.00 0.00 0.86 0.00 0.00 44 I 8.54 4.60 1.87 0.00 0.00 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 1.32 0.71 0.97 0.00 0.00 45 I 8.48 4.82 1.86 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 1.32 0.52 0.91 0.00 0.00 46 D 9.50 5.00 0.00 2.57 2.58 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 47 E 8.81 4.96 0.00 1.85 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 2.23 2.28 0.00 48 V 8.83 4.33 2.31 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 1.05 0.00 0.00 1.04 0.00 0.00 49 D 8.76 4.63 0.00 2.73 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 50 S 8.78 4.40 0.00 4.14 4.13 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 51 N 8.53 4.70 0.00 2.88 2.91 0.00 0.00 6.87 7.90 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 52 N 8.44 4.81 0.00 2.83 2.87 0.00 0.00 6.68 7.39 0.00 0.00 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 Y 7.93 4.65 0.00 3.01 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 54 G 8.40 4.58 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 55 L 8.66 4.47 0.00 1.89 1.56 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 56 G 9.59 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 57 G 8.71 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 58 E 7.86 4.71 0.00 1.94 1.83 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 2.20 2.35 0.00 59 S 8.45 4.81 0.00 4.12 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 60 V 8.82 3.66 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 0.81 0.00 0.00 61 H 8.22 4.14 0.00 3.25 3.37 0.00 6.00 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.07 4.23 0.00 3.21 3.48 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.04 4.05 0.00 1.89 1.70 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.91 4.20 0.00 1.80 1.94 0.00 3.14 0.00 0.00 3.34 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 65 Q 7.69 4.03 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.67 0.00 0.00 0.00 0.00 0.00 2.52 2.37 0.00 66 K 7.20 4.34 0.00 1.62 1.66 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.35 7.81 67 N 8.70 4.53 0.00 2.78 2.58 0.00 0.00 6.67 7.56 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